USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 951 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 99 HIS : no HD1:sc= 1.35 K(o=2.6,f=-16!) USER MOD Set 1.2: A 112 SER OG : rot -82:sc= 1.28 USER MOD Set 2.1: A 93 ASN : amide:sc= 0.657 K(o=-1.9,f=-0.88) USER MOD Set 2.2: A 98 HIS : no HE2:sc= -2.61! C(o=-1.9!,f=-17!) USER MOD Set 3.1: A 48 THR OG1 : rot 66:sc= 2.32 USER MOD Set 3.2: A 62 THR OG1 : rot -67:sc= 1.16 USER MOD Set 4.1: A 50 SER OG : rot 80:sc= 1.2 USER MOD Set 4.2: A 60 THR OG1 : rot 8:sc= 2.19 USER MOD Set 5.1: A 38 SER OG : rot -53:sc= 2.09 USER MOD Set 5.2: A 51 GLN : amide:sc= 1.85 K(o=3.9,f=-5.7!) USER MOD Set 6.1: A 14 TYR OH : rot 60:sc= 0 USER MOD Set 6.2: A 18 MET CE :methyl -173:sc= 0 (180deg=-0.0381) USER MOD Set 7.1: A 6 TYR OH : rot 15:sc= 2.13 USER MOD Set 7.2: A 125 LYS NZ :NH3+ -164:sc= 2.41 (180deg=0.853) USER MOD Set 8.1: A 5 LYS NZ :NH3+ 164:sc= 1.22 (180deg=-1.48!) USER MOD Set 8.2: A 52 GLN : amide:sc= -0.213 K(o=1,f=-13!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0628 USER MOD Single : A 12 LYS NZ :NH3+ -142:sc= 1.9 (180deg=1.48) USER MOD Single : A 13 ASN : amide:sc= 0.392 K(o=0.39,f=-6.9!) USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= 1.55 (180deg=1.05!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.01 K(o=1,f=-0.0095) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 1.49 (180deg=1.43) USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= 0.668 (180deg=0.559!) USER MOD Single : A 42 GLN : amide:sc= 1.07 K(o=1.1,f=-0.52) USER MOD Single : A 45 GLN : amide:sc= 0.783 K(o=0.78,f=-1.1) USER MOD Single : A 46 ASN : amide:sc= 0.51 K(o=0.51,f=-5.9!) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= 1 K(o=1,f=-5.3!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.446 X(o=0.45,f=-0.03) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -142:sc= 1.67 (180deg=-1.19) USER MOD Single : A 69 CYS SG : rot 4:sc= 0.0677 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 77 LYS NZ :NH3+ 148:sc= 0.86 (180deg=0.402) USER MOD Single : A 78 LYS NZ :NH3+ -121:sc= 0.693 (180deg=-1.29!) USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= 1.68 (180deg=1.47) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 156:sc= 0.548 (180deg=-1.71!) USER MOD Single : A 94 SER OG : rot 45:sc= 1.07 USER MOD Single : A 96 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1.2) USER MOD Single : A 97 TYR OH : rot 139:sc= 0.082 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 107 LYS NZ :NH3+ -163:sc= 0.76 (180deg=0.641) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 101:sc= 1.24 USER MOD Single : A 119 TYR OH : rot 38:sc= 1.06 USER MOD Single : A 123 SER OG : rot 62:sc= 0.676 USER MOD Single : A 124 LYS NZ :NH3+ 139:sc= 2.28 (180deg=-1.45!) USER MOD ----------------------------------------------------------------- ATOM 12 N PHE A 2 11.936 -9.647 -5.297 1.00 1.00 N ATOM 13 CA PHE A 2 11.077 -8.513 -4.970 1.00 1.00 C ATOM 14 C PHE A 2 11.246 -8.091 -3.500 1.00 1.00 C ATOM 15 O PHE A 2 11.031 -6.932 -3.143 1.00 1.00 O ATOM 16 CB PHE A 2 9.588 -8.834 -5.207 1.00 1.00 C ATOM 17 CG PHE A 2 9.149 -8.465 -6.606 1.00 1.00 C ATOM 18 CD1 PHE A 2 9.420 -9.309 -7.693 1.00 1.00 C ATOM 19 CD2 PHE A 2 8.501 -7.242 -6.841 1.00 1.00 C ATOM 20 CE1 PHE A 2 9.080 -8.918 -8.990 1.00 1.00 C ATOM 21 CE2 PHE A 2 8.154 -6.861 -8.137 1.00 1.00 C ATOM 22 CZ PHE A 2 8.457 -7.693 -9.213 1.00 1.00 C ATOM 0 HA PHE A 2 11.383 -7.701 -5.630 1.00 1.00 H new ATOM 0 HB2 PHE A 2 9.415 -9.897 -5.040 1.00 1.00 H new ATOM 0 HB3 PHE A 2 8.980 -8.294 -4.481 1.00 1.00 H new ATOM 0 HD1 PHE A 2 9.894 -10.265 -7.526 1.00 1.00 H new ATOM 0 HD2 PHE A 2 8.269 -6.591 -6.011 1.00 1.00 H new ATOM 0 HE1 PHE A 2 9.301 -9.568 -9.823 1.00 1.00 H new ATOM 0 HE2 PHE A 2 7.650 -5.921 -8.307 1.00 1.00 H new ATOM 0 HZ PHE A 2 8.209 -7.388 -10.219 1.00 1.00 H new ATOM 32 N THR A 3 11.563 -9.082 -2.608 1.00 1.00 N ATOM 33 CA THR A 3 11.322 -8.943 -1.165 1.00 1.00 C ATOM 34 C THR A 3 12.193 -7.822 -0.538 1.00 1.00 C ATOM 35 O THR A 3 13.327 -7.549 -0.942 1.00 1.00 O ATOM 36 CB THR A 3 11.663 -10.298 -0.500 1.00 1.00 C ATOM 37 OG1 THR A 3 11.089 -11.342 -1.310 1.00 1.00 O ATOM 38 CG2 THR A 3 11.132 -10.448 0.916 1.00 1.00 C ATOM 0 H THR A 3 11.982 -9.972 -2.877 1.00 1.00 H new ATOM 0 HA THR A 3 10.280 -8.670 -1.002 1.00 1.00 H new ATOM 0 HB THR A 3 12.749 -10.357 -0.432 1.00 1.00 H new ATOM 0 HG1 THR A 3 11.292 -12.214 -0.912 1.00 1.00 H new ATOM 0 HG21 THR A 3 11.414 -11.425 1.309 1.00 1.00 H new ATOM 0 HG22 THR A 3 11.555 -9.667 1.548 1.00 1.00 H new ATOM 0 HG23 THR A 3 10.046 -10.360 0.908 1.00 1.00 H new ATOM 46 N GLY A 4 11.634 -7.189 0.552 1.00 1.00 N ATOM 47 CA GLY A 4 12.343 -6.212 1.367 1.00 1.00 C ATOM 48 C GLY A 4 11.521 -4.953 1.693 1.00 1.00 C ATOM 49 O GLY A 4 10.320 -4.859 1.452 1.00 1.00 O ATOM 0 H GLY A 4 10.679 -7.363 0.865 1.00 1.00 H new ATOM 0 HA2 GLY A 4 12.648 -6.686 2.300 1.00 1.00 H new ATOM 0 HA3 GLY A 4 13.254 -5.914 0.848 1.00 1.00 H new ATOM 53 N LYS A 5 12.260 -3.965 2.317 1.00 1.00 N ATOM 54 CA LYS A 5 11.723 -2.627 2.591 1.00 1.00 C ATOM 55 C LYS A 5 12.147 -1.713 1.412 1.00 1.00 C ATOM 56 O LYS A 5 13.243 -1.831 0.855 1.00 1.00 O ATOM 57 CB LYS A 5 12.285 -2.092 3.910 1.00 1.00 C ATOM 58 CG LYS A 5 11.455 -0.916 4.434 1.00 1.00 C ATOM 59 CD LYS A 5 11.855 -0.559 5.861 1.00 1.00 C ATOM 60 CE LYS A 5 11.019 0.550 6.498 1.00 1.00 C ATOM 61 NZ LYS A 5 9.635 0.134 6.651 1.00 1.00 N ATOM 0 H LYS A 5 13.223 -4.096 2.628 1.00 1.00 H new ATOM 0 HA LYS A 5 10.637 -2.656 2.683 1.00 1.00 H new ATOM 0 HB2 LYS A 5 12.298 -2.890 4.652 1.00 1.00 H new ATOM 0 HB3 LYS A 5 13.318 -1.775 3.765 1.00 1.00 H new ATOM 0 HG2 LYS A 5 11.594 -0.051 3.786 1.00 1.00 H new ATOM 0 HG3 LYS A 5 10.396 -1.171 4.402 1.00 1.00 H new ATOM 0 HD2 LYS A 5 11.780 -1.453 6.480 1.00 1.00 H new ATOM 0 HD3 LYS A 5 12.902 -0.255 5.866 1.00 1.00 H new ATOM 0 HE2 LYS A 5 11.434 0.810 7.472 1.00 1.00 H new ATOM 0 HE3 LYS A 5 11.067 1.447 5.881 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 9.152 0.772 7.316 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 9.158 0.170 5.728 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 9.603 -0.838 7.019 1.00 1.00 H new ATOM 75 N TYR A 6 11.247 -0.740 1.064 1.00 1.00 N ATOM 76 CA TYR A 6 11.392 0.162 -0.080 1.00 1.00 C ATOM 77 C TYR A 6 10.840 1.547 0.283 1.00 1.00 C ATOM 78 O TYR A 6 10.100 1.763 1.242 1.00 1.00 O ATOM 79 CB TYR A 6 10.636 -0.291 -1.350 1.00 1.00 C ATOM 80 CG TYR A 6 11.159 -1.556 -1.973 1.00 1.00 C ATOM 81 CD1 TYR A 6 10.857 -2.798 -1.410 1.00 1.00 C ATOM 82 CD2 TYR A 6 11.946 -1.502 -3.131 1.00 1.00 C ATOM 83 CE1 TYR A 6 11.372 -3.959 -1.969 1.00 1.00 C ATOM 84 CE2 TYR A 6 12.468 -2.663 -3.692 1.00 1.00 C ATOM 85 CZ TYR A 6 12.164 -3.878 -3.106 1.00 1.00 C ATOM 86 OH TYR A 6 12.665 -5.017 -3.663 1.00 1.00 O ATOM 0 H TYR A 6 10.391 -0.574 1.594 1.00 1.00 H new ATOM 0 HA TYR A 6 12.459 0.169 -0.301 1.00 1.00 H new ATOM 0 HB2 TYR A 6 9.585 -0.433 -1.100 1.00 1.00 H new ATOM 0 HB3 TYR A 6 10.683 0.509 -2.089 1.00 1.00 H new ATOM 0 HD1 TYR A 6 10.222 -2.855 -0.538 1.00 1.00 H new ATOM 0 HD2 TYR A 6 12.150 -0.548 -3.594 1.00 1.00 H new ATOM 0 HE1 TYR A 6 11.158 -4.919 -1.523 1.00 1.00 H new ATOM 0 HE2 TYR A 6 13.098 -2.616 -4.568 1.00 1.00 H new ATOM 0 HH TYR A 6 12.192 -5.794 -3.300 1.00 1.00 H new ATOM 96 N GLU A 7 11.191 2.531 -0.616 1.00 1.00 N ATOM 97 CA GLU A 7 10.774 3.915 -0.414 1.00 1.00 C ATOM 98 C GLU A 7 10.658 4.605 -1.785 1.00 1.00 C ATOM 99 O GLU A 7 11.485 4.427 -2.687 1.00 1.00 O ATOM 100 CB GLU A 7 11.758 4.597 0.527 1.00 1.00 C ATOM 101 CG GLU A 7 11.219 5.881 1.134 1.00 1.00 C ATOM 102 CD GLU A 7 11.754 7.189 0.585 1.00 1.00 C ATOM 103 OE1 GLU A 7 12.522 7.123 -0.410 1.00 1.00 O ATOM 104 OE2 GLU A 7 11.365 8.219 1.212 1.00 1.00 O ATOM 0 H GLU A 7 11.747 2.371 -1.456 1.00 1.00 H new ATOM 0 HA GLU A 7 9.793 3.975 0.057 1.00 1.00 H new ATOM 0 HB2 GLU A 7 12.021 3.907 1.329 1.00 1.00 H new ATOM 0 HB3 GLU A 7 12.676 4.818 -0.017 1.00 1.00 H new ATOM 0 HG2 GLU A 7 10.136 5.882 1.013 1.00 1.00 H new ATOM 0 HG3 GLU A 7 11.420 5.858 2.205 1.00 1.00 H new ATOM 111 N ILE A 8 9.533 5.382 -1.919 1.00 1.00 N ATOM 112 CA ILE A 8 9.054 5.922 -3.196 1.00 1.00 C ATOM 113 C ILE A 8 9.736 7.271 -3.504 1.00 1.00 C ATOM 114 O ILE A 8 9.854 8.162 -2.668 1.00 1.00 O ATOM 115 CB ILE A 8 7.506 5.996 -3.186 1.00 1.00 C ATOM 116 CG1 ILE A 8 6.942 4.567 -3.363 1.00 1.00 C ATOM 117 CG2 ILE A 8 6.911 6.927 -4.247 1.00 1.00 C ATOM 118 CD1 ILE A 8 5.559 4.386 -2.767 1.00 1.00 C ATOM 0 H ILE A 8 8.945 5.640 -1.127 1.00 1.00 H new ATOM 0 HA ILE A 8 9.331 5.255 -4.012 1.00 1.00 H new ATOM 0 HB ILE A 8 7.216 6.425 -2.227 1.00 1.00 H new ATOM 0 HG12 ILE A 8 6.905 4.328 -4.426 1.00 1.00 H new ATOM 0 HG13 ILE A 8 7.625 3.855 -2.900 1.00 1.00 H new ATOM 0 HG21 ILE A 8 5.824 6.919 -4.169 1.00 1.00 H new ATOM 0 HG22 ILE A 8 7.279 7.941 -4.089 1.00 1.00 H new ATOM 0 HG23 ILE A 8 7.206 6.584 -5.239 1.00 1.00 H new ATOM 0 HD11 ILE A 8 5.225 3.361 -2.927 1.00 1.00 H new ATOM 0 HD12 ILE A 8 5.594 4.593 -1.697 1.00 1.00 H new ATOM 0 HD13 ILE A 8 4.863 5.074 -3.247 1.00 1.00 H new ATOM 130 N GLU A 9 10.174 7.374 -4.813 1.00 1.00 N ATOM 131 CA GLU A 9 10.802 8.587 -5.339 1.00 1.00 C ATOM 132 C GLU A 9 9.704 9.608 -5.705 1.00 1.00 C ATOM 133 O GLU A 9 9.801 10.804 -5.439 1.00 1.00 O ATOM 134 CB GLU A 9 11.609 8.284 -6.625 1.00 1.00 C ATOM 135 CG GLU A 9 13.081 8.676 -6.527 1.00 1.00 C ATOM 136 CD GLU A 9 13.846 7.516 -5.935 1.00 1.00 C ATOM 137 OE1 GLU A 9 13.817 7.408 -4.678 1.00 1.00 O ATOM 138 OE2 GLU A 9 14.433 6.748 -6.757 1.00 1.00 O ATOM 0 H GLU A 9 10.091 6.620 -5.495 1.00 1.00 H new ATOM 0 HA GLU A 9 11.471 8.979 -4.573 1.00 1.00 H new ATOM 0 HB2 GLU A 9 11.539 7.219 -6.846 1.00 1.00 H new ATOM 0 HB3 GLU A 9 11.155 8.814 -7.462 1.00 1.00 H new ATOM 0 HG2 GLU A 9 13.473 8.925 -7.513 1.00 1.00 H new ATOM 0 HG3 GLU A 9 13.196 9.563 -5.905 1.00 1.00 H new ATOM 145 N SER A 10 8.697 9.112 -6.515 1.00 1.00 N ATOM 146 CA SER A 10 7.582 9.957 -6.927 1.00 1.00 C ATOM 147 C SER A 10 6.467 9.086 -7.554 1.00 1.00 C ATOM 148 O SER A 10 6.614 7.891 -7.814 1.00 1.00 O ATOM 149 CB SER A 10 7.998 11.042 -7.936 1.00 1.00 C ATOM 150 OG SER A 10 6.963 12.019 -8.083 1.00 1.00 O ATOM 0 H SER A 10 8.662 8.156 -6.869 1.00 1.00 H new ATOM 0 HA SER A 10 7.220 10.461 -6.031 1.00 1.00 H new ATOM 0 HB2 SER A 10 8.916 11.525 -7.601 1.00 1.00 H new ATOM 0 HB3 SER A 10 8.213 10.584 -8.902 1.00 1.00 H new ATOM 0 HG SER A 10 7.246 12.701 -8.727 1.00 1.00 H new ATOM 156 N GLU A 11 5.310 9.791 -7.777 1.00 1.00 N ATOM 157 CA GLU A 11 4.044 9.247 -8.249 1.00 1.00 C ATOM 158 C GLU A 11 3.606 10.156 -9.409 1.00 1.00 C ATOM 159 O GLU A 11 2.994 11.211 -9.249 1.00 1.00 O ATOM 160 CB GLU A 11 3.017 9.269 -7.110 1.00 1.00 C ATOM 161 CG GLU A 11 3.389 8.316 -5.972 1.00 1.00 C ATOM 162 CD GLU A 11 2.269 7.635 -5.206 1.00 1.00 C ATOM 163 OE1 GLU A 11 1.094 7.848 -5.605 1.00 1.00 O ATOM 164 OE2 GLU A 11 2.632 6.809 -4.313 1.00 1.00 O ATOM 0 H GLU A 11 5.260 10.797 -7.617 1.00 1.00 H new ATOM 0 HA GLU A 11 4.134 8.212 -8.579 1.00 1.00 H new ATOM 0 HB2 GLU A 11 2.934 10.283 -6.719 1.00 1.00 H new ATOM 0 HB3 GLU A 11 2.037 8.997 -7.502 1.00 1.00 H new ATOM 0 HG2 GLU A 11 4.029 7.537 -6.387 1.00 1.00 H new ATOM 0 HG3 GLU A 11 3.990 8.874 -5.255 1.00 1.00 H new ATOM 171 N LYS A 12 4.053 9.776 -10.659 1.00 1.00 N ATOM 172 CA LYS A 12 3.955 10.685 -11.797 1.00 1.00 C ATOM 173 C LYS A 12 2.557 10.751 -12.473 1.00 1.00 C ATOM 174 O LYS A 12 2.426 10.870 -13.694 1.00 1.00 O ATOM 175 CB LYS A 12 5.050 10.425 -12.848 1.00 1.00 C ATOM 176 CG LYS A 12 4.935 9.061 -13.537 1.00 1.00 C ATOM 177 CD LYS A 12 5.399 9.060 -15.000 1.00 1.00 C ATOM 178 CE LYS A 12 4.566 9.879 -15.990 1.00 1.00 C ATOM 179 NZ LYS A 12 3.133 9.616 -15.871 1.00 1.00 N ATOM 0 H LYS A 12 4.468 8.869 -10.871 1.00 1.00 H new ATOM 0 HA LYS A 12 4.114 11.668 -11.354 1.00 1.00 H new ATOM 0 HB2 LYS A 12 5.008 11.208 -13.605 1.00 1.00 H new ATOM 0 HB3 LYS A 12 6.026 10.498 -12.368 1.00 1.00 H new ATOM 0 HG2 LYS A 12 5.524 8.333 -12.979 1.00 1.00 H new ATOM 0 HG3 LYS A 12 3.897 8.731 -13.495 1.00 1.00 H new ATOM 0 HD2 LYS A 12 6.424 9.430 -15.031 1.00 1.00 H new ATOM 0 HD3 LYS A 12 5.422 8.027 -15.348 1.00 1.00 H new ATOM 0 HE2 LYS A 12 4.752 10.940 -15.825 1.00 1.00 H new ATOM 0 HE3 LYS A 12 4.890 9.653 -17.006 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 2.700 9.616 -16.817 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 2.986 8.689 -15.423 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 2.691 10.356 -15.289 1.00 1.00 H new ATOM 193 N ASN A 13 1.489 10.807 -11.609 1.00 1.00 N ATOM 194 CA ASN A 13 0.201 11.351 -12.048 1.00 1.00 C ATOM 195 C ASN A 13 -0.607 11.633 -10.776 1.00 1.00 C ATOM 196 O ASN A 13 -0.629 12.748 -10.260 1.00 1.00 O ATOM 197 CB ASN A 13 -0.534 10.449 -13.040 1.00 1.00 C ATOM 198 CG ASN A 13 -1.922 10.951 -13.374 1.00 1.00 C ATOM 199 OD1 ASN A 13 -2.481 11.899 -12.835 1.00 1.00 O ATOM 200 ND2 ASN A 13 -2.542 10.234 -14.349 1.00 1.00 N ATOM 0 H ASN A 13 1.513 10.488 -10.640 1.00 1.00 H new ATOM 0 HA ASN A 13 0.353 12.269 -12.616 1.00 1.00 H new ATOM 0 HB2 ASN A 13 0.050 10.374 -13.957 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -0.607 9.444 -12.625 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -3.487 10.482 -14.642 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -2.062 9.448 -14.787 1.00 1.00 H new ATOM 207 N TYR A 14 -1.249 10.546 -10.230 1.00 1.00 N ATOM 208 CA TYR A 14 -1.975 10.534 -8.956 1.00 1.00 C ATOM 209 C TYR A 14 -3.285 11.332 -9.078 1.00 1.00 C ATOM 210 O TYR A 14 -4.388 10.849 -8.820 1.00 1.00 O ATOM 211 CB TYR A 14 -1.083 10.954 -7.786 1.00 1.00 C ATOM 212 CG TYR A 14 -1.769 10.914 -6.450 1.00 1.00 C ATOM 213 CD1 TYR A 14 -1.972 9.685 -5.810 1.00 1.00 C ATOM 214 CD2 TYR A 14 -2.199 12.090 -5.828 1.00 1.00 C ATOM 215 CE1 TYR A 14 -2.600 9.625 -4.569 1.00 1.00 C ATOM 216 CE2 TYR A 14 -2.814 12.032 -4.579 1.00 1.00 C ATOM 217 CZ TYR A 14 -3.020 10.803 -3.966 1.00 1.00 C ATOM 218 OH TYR A 14 -3.662 10.780 -2.766 1.00 1.00 O ATOM 0 H TYR A 14 -1.263 9.639 -10.696 1.00 1.00 H new ATOM 0 HA TYR A 14 -2.265 9.510 -8.722 1.00 1.00 H new ATOM 0 HB2 TYR A 14 -0.211 10.301 -7.755 1.00 1.00 H new ATOM 0 HB3 TYR A 14 -0.718 11.965 -7.965 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -1.638 8.774 -6.284 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -2.055 13.043 -6.315 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -2.758 8.674 -4.082 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -3.130 12.941 -4.089 1.00 1.00 H new ATOM 0 HH TYR A 14 -3.081 10.371 -2.092 1.00 1.00 H new ATOM 228 N ASP A 15 -3.156 12.619 -9.509 1.00 1.00 N ATOM 229 CA ASP A 15 -4.209 13.619 -9.349 1.00 1.00 C ATOM 230 C ASP A 15 -5.375 13.252 -10.291 1.00 1.00 C ATOM 231 O ASP A 15 -6.525 13.071 -9.885 1.00 1.00 O ATOM 232 CB ASP A 15 -3.636 14.989 -9.633 1.00 1.00 C ATOM 233 CG ASP A 15 -4.692 15.967 -9.185 1.00 1.00 C ATOM 234 OD1 ASP A 15 -5.636 16.197 -9.988 1.00 1.00 O ATOM 235 OD2 ASP A 15 -4.509 16.479 -8.041 1.00 1.00 O ATOM 0 H ASP A 15 -2.319 12.973 -9.972 1.00 1.00 H new ATOM 0 HA ASP A 15 -4.595 13.637 -8.330 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -2.703 15.144 -9.092 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -3.414 15.110 -10.693 1.00 1.00 H new ATOM 240 N GLU A 16 -5.028 13.073 -11.617 1.00 1.00 N ATOM 241 CA GLU A 16 -6.033 12.696 -12.602 1.00 1.00 C ATOM 242 C GLU A 16 -6.442 11.212 -12.509 1.00 1.00 C ATOM 243 O GLU A 16 -7.343 10.750 -13.209 1.00 1.00 O ATOM 244 CB GLU A 16 -5.574 13.001 -14.035 1.00 1.00 C ATOM 245 CG GLU A 16 -5.667 14.482 -14.393 1.00 1.00 C ATOM 246 CD GLU A 16 -7.092 15.004 -14.283 1.00 1.00 C ATOM 247 OE1 GLU A 16 -7.993 14.290 -14.820 1.00 1.00 O ATOM 248 OE2 GLU A 16 -7.243 16.069 -13.620 1.00 1.00 O ATOM 0 H GLU A 16 -4.085 13.187 -11.988 1.00 1.00 H new ATOM 0 HA GLU A 16 -6.905 13.305 -12.365 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -4.544 12.668 -14.158 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -6.181 12.426 -14.734 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -5.018 15.057 -13.732 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -5.302 14.634 -15.409 1.00 1.00 H new ATOM 255 N PHE A 17 -5.738 10.444 -11.610 1.00 1.00 N ATOM 256 CA PHE A 17 -6.217 9.122 -11.223 1.00 1.00 C ATOM 257 C PHE A 17 -7.321 9.287 -10.161 1.00 1.00 C ATOM 258 O PHE A 17 -8.422 8.746 -10.262 1.00 1.00 O ATOM 259 CB PHE A 17 -5.059 8.282 -10.689 1.00 1.00 C ATOM 260 CG PHE A 17 -5.308 6.808 -10.838 1.00 1.00 C ATOM 261 CD1 PHE A 17 -5.064 6.182 -12.064 1.00 1.00 C ATOM 262 CD2 PHE A 17 -5.748 6.047 -9.754 1.00 1.00 C ATOM 263 CE1 PHE A 17 -5.225 4.810 -12.202 1.00 1.00 C ATOM 264 CE2 PHE A 17 -5.916 4.673 -9.893 1.00 1.00 C ATOM 265 CZ PHE A 17 -5.662 4.059 -11.117 1.00 1.00 C ATOM 0 H PHE A 17 -4.865 10.730 -11.166 1.00 1.00 H new ATOM 0 HA PHE A 17 -6.631 8.604 -12.088 1.00 1.00 H new ATOM 0 HB2 PHE A 17 -4.145 8.549 -11.219 1.00 1.00 H new ATOM 0 HB3 PHE A 17 -4.898 8.517 -9.637 1.00 1.00 H new ATOM 0 HD1 PHE A 17 -4.747 6.771 -12.912 1.00 1.00 H new ATOM 0 HD2 PHE A 17 -5.958 6.524 -8.808 1.00 1.00 H new ATOM 0 HE1 PHE A 17 -5.012 4.330 -13.146 1.00 1.00 H new ATOM 0 HE2 PHE A 17 -6.244 4.082 -9.051 1.00 1.00 H new ATOM 0 HZ PHE A 17 -5.805 2.994 -11.224 1.00 1.00 H new ATOM 275 N MET A 18 -7.003 10.074 -9.078 1.00 1.00 N ATOM 276 CA MET A 18 -7.884 10.171 -7.917 1.00 1.00 C ATOM 277 C MET A 18 -9.192 10.911 -8.292 1.00 1.00 C ATOM 278 O MET A 18 -10.261 10.689 -7.718 1.00 1.00 O ATOM 279 CB MET A 18 -7.211 10.916 -6.771 1.00 1.00 C ATOM 280 CG MET A 18 -6.037 10.186 -6.120 1.00 1.00 C ATOM 281 SD MET A 18 -6.531 8.824 -5.017 1.00 1.00 S ATOM 282 CE MET A 18 -7.020 9.792 -3.564 1.00 1.00 C ATOM 0 H MET A 18 -6.152 10.632 -9.009 1.00 1.00 H new ATOM 0 HA MET A 18 -8.110 9.154 -7.595 1.00 1.00 H new ATOM 0 HB2 MET A 18 -6.859 11.879 -7.142 1.00 1.00 H new ATOM 0 HB3 MET A 18 -7.958 11.124 -6.005 1.00 1.00 H new ATOM 0 HG2 MET A 18 -5.390 9.790 -6.903 1.00 1.00 H new ATOM 0 HG3 MET A 18 -5.446 10.904 -5.551 1.00 1.00 H new ATOM 0 HE1 MET A 18 -7.237 9.119 -2.735 1.00 1.00 H new ATOM 0 HE2 MET A 18 -6.208 10.463 -3.284 1.00 1.00 H new ATOM 0 HE3 MET A 18 -7.909 10.377 -3.799 1.00 1.00 H new ATOM 292 N LYS A 19 -9.081 11.863 -9.290 1.00 1.00 N ATOM 293 CA LYS A 19 -10.258 12.607 -9.725 1.00 1.00 C ATOM 294 C LYS A 19 -11.217 11.628 -10.447 1.00 1.00 C ATOM 295 O LYS A 19 -12.437 11.745 -10.450 1.00 1.00 O ATOM 296 CB LYS A 19 -9.907 13.673 -10.754 1.00 1.00 C ATOM 297 CG LYS A 19 -9.288 14.939 -10.164 1.00 1.00 C ATOM 298 CD LYS A 19 -9.541 16.073 -11.152 1.00 1.00 C ATOM 299 CE LYS A 19 -8.725 17.331 -10.905 1.00 1.00 C ATOM 300 NZ LYS A 19 -7.363 17.167 -11.394 1.00 1.00 N ATOM 0 H LYS A 19 -8.214 12.103 -9.771 1.00 1.00 H new ATOM 0 HA LYS A 19 -10.696 13.070 -8.841 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -9.213 13.247 -11.478 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -10.810 13.945 -11.300 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -9.732 15.168 -9.195 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -8.219 14.803 -10.001 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -9.330 15.712 -12.159 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -10.599 16.332 -11.122 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -9.196 18.179 -11.403 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -8.709 17.556 -9.839 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -7.012 18.077 -11.755 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -6.752 16.844 -10.617 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -7.351 16.463 -12.159 1.00 1.00 H new ATOM 314 N ARG A 20 -10.558 10.706 -11.234 1.00 1.00 N ATOM 315 CA ARG A 20 -11.250 9.645 -11.963 1.00 1.00 C ATOM 316 C ARG A 20 -11.844 8.559 -11.039 1.00 1.00 C ATOM 317 O ARG A 20 -12.783 7.850 -11.402 1.00 1.00 O ATOM 318 CB ARG A 20 -10.298 8.989 -12.974 1.00 1.00 C ATOM 319 CG ARG A 20 -10.961 8.774 -14.332 1.00 1.00 C ATOM 320 CD ARG A 20 -11.312 10.086 -15.027 1.00 1.00 C ATOM 321 NE ARG A 20 -10.148 10.656 -15.710 1.00 1.00 N ATOM 322 CZ ARG A 20 -9.577 11.846 -15.453 1.00 1.00 C ATOM 323 NH1 ARG A 20 -9.911 12.605 -14.412 1.00 1.00 N ATOM 324 NH2 ARG A 20 -8.636 12.313 -16.271 1.00 1.00 N ATOM 0 H ARG A 20 -9.546 10.700 -11.361 1.00 1.00 H new ATOM 0 HA ARG A 20 -12.084 10.121 -12.479 1.00 1.00 H new ATOM 0 HB2 ARG A 20 -9.414 9.615 -13.098 1.00 1.00 H new ATOM 0 HB3 ARG A 20 -9.958 8.031 -12.582 1.00 1.00 H new ATOM 0 HG2 ARG A 20 -10.293 8.196 -14.971 1.00 1.00 H new ATOM 0 HG3 ARG A 20 -11.867 8.183 -14.200 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -12.111 9.915 -15.748 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -11.691 10.798 -14.294 1.00 1.00 H new ATOM 0 HE ARG A 20 -9.730 10.096 -16.453 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -10.632 12.291 -13.763 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -9.446 13.500 -14.264 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -8.353 11.769 -17.086 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -8.198 13.215 -16.083 1.00 1.00 H new ATOM 338 N LEU A 21 -11.196 8.365 -9.838 1.00 1.00 N ATOM 339 CA LEU A 21 -11.700 7.406 -8.858 1.00 1.00 C ATOM 340 C LEU A 21 -12.929 7.970 -8.088 1.00 1.00 C ATOM 341 O LEU A 21 -13.643 7.226 -7.411 1.00 1.00 O ATOM 342 CB LEU A 21 -10.637 7.011 -7.824 1.00 1.00 C ATOM 343 CG LEU A 21 -9.526 6.083 -8.346 1.00 1.00 C ATOM 344 CD1 LEU A 21 -8.486 5.875 -7.245 1.00 1.00 C ATOM 345 CD2 LEU A 21 -10.043 4.712 -8.767 1.00 1.00 C ATOM 0 H LEU A 21 -10.349 8.858 -9.556 1.00 1.00 H new ATOM 0 HA LEU A 21 -11.987 6.526 -9.433 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -10.176 7.919 -7.435 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -11.133 6.521 -6.986 1.00 1.00 H new ATOM 0 HG LEU A 21 -9.099 6.568 -9.224 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -7.696 5.218 -7.610 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -8.057 6.837 -6.964 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -8.962 5.422 -6.376 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -9.212 4.104 -9.126 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -10.510 4.221 -7.913 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -10.777 4.829 -9.564 1.00 1.00 H new ATOM 357 N ALA A 22 -13.084 9.333 -8.167 1.00 1.00 N ATOM 358 CA ALA A 22 -14.157 10.113 -7.553 1.00 1.00 C ATOM 359 C ALA A 22 -13.899 10.401 -6.060 1.00 1.00 C ATOM 360 O ALA A 22 -14.799 10.480 -5.225 1.00 1.00 O ATOM 361 CB ALA A 22 -15.548 9.538 -7.797 1.00 1.00 C ATOM 0 H ALA A 22 -12.428 9.918 -8.685 1.00 1.00 H new ATOM 0 HA ALA A 22 -14.143 11.074 -8.068 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -16.293 10.169 -7.312 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -15.744 9.503 -8.869 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -15.603 8.530 -7.385 1.00 1.00 H new ATOM 433 N ILE A 28 -6.727 14.308 -1.853 1.00 1.00 N ATOM 434 CA ILE A 28 -5.738 14.395 -2.924 1.00 1.00 C ATOM 435 C ILE A 28 -4.747 15.524 -2.541 1.00 1.00 C ATOM 436 O ILE A 28 -3.532 15.445 -2.731 1.00 1.00 O ATOM 437 CB ILE A 28 -6.416 14.702 -4.277 1.00 1.00 C ATOM 438 CG1 ILE A 28 -7.490 13.651 -4.605 1.00 1.00 C ATOM 439 CG2 ILE A 28 -5.387 14.754 -5.411 1.00 1.00 C ATOM 440 CD1 ILE A 28 -8.393 14.061 -5.758 1.00 1.00 C ATOM 0 HA ILE A 28 -5.216 13.445 -3.038 1.00 1.00 H new ATOM 0 HB ILE A 28 -6.891 15.679 -4.188 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -7.003 12.707 -4.850 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -8.100 13.474 -3.719 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -5.893 14.972 -6.352 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -4.656 15.535 -5.203 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -4.880 13.792 -5.486 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -9.129 13.278 -5.940 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.906 14.989 -5.506 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -7.792 14.210 -6.655 1.00 1.00 H new ATOM 452 N ASP A 29 -5.337 16.675 -2.057 1.00 1.00 N ATOM 453 CA ASP A 29 -4.591 17.940 -2.034 1.00 1.00 C ATOM 454 C ASP A 29 -3.517 17.919 -0.934 1.00 1.00 C ATOM 455 O ASP A 29 -2.482 18.580 -1.015 1.00 1.00 O ATOM 456 CB ASP A 29 -5.534 19.118 -1.824 1.00 1.00 C ATOM 457 CG ASP A 29 -6.061 19.371 -3.213 1.00 1.00 C ATOM 458 OD1 ASP A 29 -6.846 18.504 -3.694 1.00 1.00 O ATOM 459 OD2 ASP A 29 -5.549 20.345 -3.837 1.00 1.00 O ATOM 0 H ASP A 29 -6.290 16.730 -1.697 1.00 1.00 H new ATOM 0 HA ASP A 29 -4.098 18.057 -2.999 1.00 1.00 H new ATOM 0 HB2 ASP A 29 -6.335 18.876 -1.125 1.00 1.00 H new ATOM 0 HB3 ASP A 29 -5.013 19.988 -1.424 1.00 1.00 H new ATOM 464 N LYS A 30 -3.828 17.160 0.172 1.00 1.00 N ATOM 465 CA LYS A 30 -2.882 16.967 1.260 1.00 1.00 C ATOM 466 C LYS A 30 -1.793 15.923 0.905 1.00 1.00 C ATOM 467 O LYS A 30 -0.791 15.762 1.603 1.00 1.00 O ATOM 468 CB LYS A 30 -3.598 16.471 2.525 1.00 1.00 C ATOM 469 CG LYS A 30 -4.436 17.549 3.222 1.00 1.00 C ATOM 470 CD LYS A 30 -5.068 16.978 4.497 1.00 1.00 C ATOM 471 CE LYS A 30 -5.788 18.016 5.347 1.00 1.00 C ATOM 472 NZ LYS A 30 -7.084 18.361 4.796 1.00 1.00 N ATOM 0 H LYS A 30 -4.723 16.689 0.305 1.00 1.00 H new ATOM 0 HA LYS A 30 -2.417 17.938 1.432 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -4.245 15.635 2.261 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -2.855 16.091 3.226 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -3.809 18.406 3.469 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -5.215 17.908 2.549 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -5.775 16.195 4.221 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -4.289 16.508 5.098 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -5.914 17.632 6.359 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -5.174 18.914 5.421 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -7.542 19.070 5.404 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -6.962 18.751 3.840 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -7.679 17.509 4.749 1.00 1.00 H new ATOM 486 N ALA A 31 -2.108 15.083 -0.135 1.00 1.00 N ATOM 487 CA ALA A 31 -1.284 13.947 -0.504 1.00 1.00 C ATOM 488 C ALA A 31 -0.319 14.200 -1.678 1.00 1.00 C ATOM 489 O ALA A 31 0.704 13.522 -1.820 1.00 1.00 O ATOM 490 CB ALA A 31 -2.163 12.759 -0.844 1.00 1.00 C ATOM 0 H ALA A 31 -2.938 15.198 -0.717 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.662 13.752 0.370 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -1.537 11.910 -1.120 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -2.770 12.496 0.022 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.815 13.016 -1.679 1.00 1.00 H new ATOM 496 N ARG A 32 -0.696 15.126 -2.632 1.00 1.00 N ATOM 497 CA ARG A 32 -0.135 15.043 -3.985 1.00 1.00 C ATOM 498 C ARG A 32 1.332 15.540 -4.181 1.00 1.00 C ATOM 499 O ARG A 32 1.763 15.916 -5.275 1.00 1.00 O ATOM 500 CB ARG A 32 -1.050 15.709 -5.034 1.00 1.00 C ATOM 501 CG ARG A 32 -1.083 17.244 -4.971 1.00 1.00 C ATOM 502 CD ARG A 32 -1.573 17.847 -6.286 1.00 1.00 C ATOM 503 NE ARG A 32 -3.008 17.706 -6.456 1.00 1.00 N ATOM 504 CZ ARG A 32 -3.945 18.497 -5.914 1.00 1.00 C ATOM 505 NH1 ARG A 32 -3.621 19.538 -5.155 1.00 1.00 N ATOM 506 NH2 ARG A 32 -5.222 18.215 -6.137 1.00 1.00 N ATOM 0 H ARG A 32 -1.353 15.891 -2.477 1.00 1.00 H new ATOM 0 HA ARG A 32 -0.087 13.965 -4.141 1.00 1.00 H new ATOM 0 HB2 ARG A 32 -0.721 15.406 -6.028 1.00 1.00 H new ATOM 0 HB3 ARG A 32 -2.064 15.331 -4.905 1.00 1.00 H new ATOM 0 HG2 ARG A 32 -1.736 17.562 -4.158 1.00 1.00 H new ATOM 0 HG3 ARG A 32 -0.086 17.622 -4.745 1.00 1.00 H new ATOM 0 HD2 ARG A 32 -1.307 18.904 -6.320 1.00 1.00 H new ATOM 0 HD3 ARG A 32 -1.062 17.363 -7.118 1.00 1.00 H new ATOM 0 HE ARG A 32 -3.333 16.936 -7.041 1.00 1.00 H new ATOM 0 HH11 ARG A 32 -2.640 19.751 -4.973 1.00 1.00 H new ATOM 0 HH12 ARG A 32 -4.353 20.124 -4.754 1.00 1.00 H new ATOM 0 HH21 ARG A 32 -5.474 17.410 -6.711 1.00 1.00 H new ATOM 0 HH22 ARG A 32 -5.952 18.803 -5.735 1.00 1.00 H new ATOM 520 N ASN A 33 2.168 15.432 -3.101 1.00 1.00 N ATOM 521 CA ASN A 33 3.593 15.782 -3.139 1.00 1.00 C ATOM 522 C ASN A 33 4.331 15.047 -1.996 1.00 1.00 C ATOM 523 O ASN A 33 5.346 15.474 -1.454 1.00 1.00 O ATOM 524 CB ASN A 33 3.791 17.300 -3.066 1.00 1.00 C ATOM 525 CG ASN A 33 4.516 17.814 -4.287 1.00 1.00 C ATOM 526 OD1 ASN A 33 5.652 18.273 -4.259 1.00 1.00 O ATOM 527 ND2 ASN A 33 3.810 17.773 -5.453 1.00 1.00 N ATOM 0 H ASN A 33 1.856 15.098 -2.189 1.00 1.00 H new ATOM 0 HA ASN A 33 4.019 15.459 -4.089 1.00 1.00 H new ATOM 0 HB2 ASN A 33 2.822 17.792 -2.981 1.00 1.00 H new ATOM 0 HB3 ASN A 33 4.357 17.553 -2.170 1.00 1.00 H new ATOM 0 HD21 ASN A 33 4.227 18.127 -6.314 1.00 1.00 H new ATOM 0 HD22 ASN A 33 2.865 17.389 -5.464 1.00 1.00 H new ATOM 534 N LEU A 34 3.806 13.805 -1.697 1.00 1.00 N ATOM 535 CA LEU A 34 4.408 12.930 -0.710 1.00 1.00 C ATOM 536 C LEU A 34 5.312 11.851 -1.357 1.00 1.00 C ATOM 537 O LEU A 34 5.320 11.577 -2.551 1.00 1.00 O ATOM 538 CB LEU A 34 3.327 12.246 0.140 1.00 1.00 C ATOM 539 CG LEU A 34 2.518 13.204 1.035 1.00 1.00 C ATOM 540 CD1 LEU A 34 1.439 12.405 1.763 1.00 1.00 C ATOM 541 CD2 LEU A 34 3.389 13.945 2.050 1.00 1.00 C ATOM 0 H LEU A 34 2.972 13.422 -2.142 1.00 1.00 H new ATOM 0 HA LEU A 34 5.033 13.558 -0.074 1.00 1.00 H new ATOM 0 HB2 LEU A 34 2.640 11.721 -0.523 1.00 1.00 H new ATOM 0 HB3 LEU A 34 3.800 11.493 0.770 1.00 1.00 H new ATOM 0 HG LEU A 34 2.072 13.963 0.392 1.00 1.00 H new ATOM 0 HD11 LEU A 34 0.859 13.073 2.400 1.00 1.00 H new ATOM 0 HD12 LEU A 34 0.779 11.936 1.033 1.00 1.00 H new ATOM 0 HD13 LEU A 34 1.908 11.635 2.376 1.00 1.00 H new ATOM 0 HD21 LEU A 34 2.765 14.605 2.652 1.00 1.00 H new ATOM 0 HD22 LEU A 34 3.885 13.223 2.699 1.00 1.00 H new ATOM 0 HD23 LEU A 34 4.139 14.536 1.524 1.00 1.00 H new ATOM 553 N LYS A 35 6.083 11.183 -0.426 1.00 1.00 N ATOM 554 CA LYS A 35 7.061 10.154 -0.757 1.00 1.00 C ATOM 555 C LYS A 35 6.902 9.053 0.322 1.00 1.00 C ATOM 556 O LYS A 35 7.428 9.134 1.436 1.00 1.00 O ATOM 557 CB LYS A 35 8.500 10.684 -0.792 1.00 1.00 C ATOM 558 CG LYS A 35 8.793 11.816 0.204 1.00 1.00 C ATOM 559 CD LYS A 35 10.263 11.854 0.634 1.00 1.00 C ATOM 560 CE LYS A 35 10.482 11.321 2.047 1.00 1.00 C ATOM 561 NZ LYS A 35 10.025 9.938 2.182 1.00 1.00 N ATOM 0 H LYS A 35 6.019 11.368 0.575 1.00 1.00 H new ATOM 0 HA LYS A 35 6.877 9.774 -1.762 1.00 1.00 H new ATOM 0 HB2 LYS A 35 9.182 9.857 -0.592 1.00 1.00 H new ATOM 0 HB3 LYS A 35 8.717 11.040 -1.799 1.00 1.00 H new ATOM 0 HG2 LYS A 35 8.525 12.771 -0.248 1.00 1.00 H new ATOM 0 HG3 LYS A 35 8.163 11.692 1.085 1.00 1.00 H new ATOM 0 HD2 LYS A 35 10.857 11.267 -0.067 1.00 1.00 H new ATOM 0 HD3 LYS A 35 10.626 12.880 0.578 1.00 1.00 H new ATOM 0 HE2 LYS A 35 11.541 11.380 2.298 1.00 1.00 H new ATOM 0 HE3 LYS A 35 9.950 11.951 2.760 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 10.206 9.606 3.151 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 9.005 9.888 1.984 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 10.539 9.335 1.508 1.00 1.00 H new ATOM 575 N ILE A 36 6.007 8.072 -0.035 1.00 1.00 N ATOM 576 CA ILE A 36 5.527 6.979 0.826 1.00 1.00 C ATOM 577 C ILE A 36 6.638 5.903 0.997 1.00 1.00 C ATOM 578 O ILE A 36 7.493 5.667 0.144 1.00 1.00 O ATOM 579 CB ILE A 36 4.211 6.449 0.187 1.00 1.00 C ATOM 580 CG1 ILE A 36 3.080 7.485 0.403 1.00 1.00 C ATOM 581 CG2 ILE A 36 3.768 5.063 0.649 1.00 1.00 C ATOM 582 CD1 ILE A 36 1.870 7.253 -0.487 1.00 1.00 C ATOM 0 H ILE A 36 5.597 8.037 -0.968 1.00 1.00 H new ATOM 0 HA ILE A 36 5.304 7.311 1.840 1.00 1.00 H new ATOM 0 HB ILE A 36 4.428 6.323 -0.874 1.00 1.00 H new ATOM 0 HG12 ILE A 36 2.765 7.456 1.446 1.00 1.00 H new ATOM 0 HG13 ILE A 36 3.473 8.485 0.216 1.00 1.00 H new ATOM 0 HG21 ILE A 36 2.842 4.790 0.143 1.00 1.00 H new ATOM 0 HG22 ILE A 36 4.542 4.334 0.408 1.00 1.00 H new ATOM 0 HG23 ILE A 36 3.604 5.074 1.726 1.00 1.00 H new ATOM 0 HD11 ILE A 36 1.117 8.014 -0.283 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.171 7.311 -1.533 1.00 1.00 H new ATOM 0 HD13 ILE A 36 1.453 6.267 -0.284 1.00 1.00 H new ATOM 594 N ILE A 37 6.598 5.230 2.207 1.00 1.00 N ATOM 595 CA ILE A 37 7.512 4.119 2.503 1.00 1.00 C ATOM 596 C ILE A 37 6.708 2.820 2.260 1.00 1.00 C ATOM 597 O ILE A 37 5.482 2.780 2.411 1.00 1.00 O ATOM 598 CB ILE A 37 8.028 4.148 3.966 1.00 1.00 C ATOM 599 CG1 ILE A 37 8.066 5.544 4.629 1.00 1.00 C ATOM 600 CG2 ILE A 37 9.392 3.456 4.079 1.00 1.00 C ATOM 601 CD1 ILE A 37 9.010 6.553 3.994 1.00 1.00 C ATOM 0 H ILE A 37 5.947 5.452 2.960 1.00 1.00 H new ATOM 0 HA ILE A 37 8.394 4.189 1.866 1.00 1.00 H new ATOM 0 HB ILE A 37 7.281 3.591 4.532 1.00 1.00 H new ATOM 0 HG12 ILE A 37 7.058 5.959 4.616 1.00 1.00 H new ATOM 0 HG13 ILE A 37 8.346 5.421 5.675 1.00 1.00 H new ATOM 0 HG21 ILE A 37 9.732 3.489 5.114 1.00 1.00 H new ATOM 0 HG22 ILE A 37 9.301 2.418 3.760 1.00 1.00 H new ATOM 0 HG23 ILE A 37 10.114 3.968 3.443 1.00 1.00 H new ATOM 0 HD11 ILE A 37 8.955 7.495 4.539 1.00 1.00 H new ATOM 0 HD12 ILE A 37 10.030 6.171 4.032 1.00 1.00 H new ATOM 0 HD13 ILE A 37 8.722 6.717 2.956 1.00 1.00 H new ATOM 613 N SER A 38 7.433 1.695 1.943 1.00 1.00 N ATOM 614 CA SER A 38 6.761 0.442 1.607 1.00 1.00 C ATOM 615 C SER A 38 7.575 -0.808 1.963 1.00 1.00 C ATOM 616 O SER A 38 8.798 -0.858 1.842 1.00 1.00 O ATOM 617 CB SER A 38 6.427 0.372 0.101 1.00 1.00 C ATOM 618 OG SER A 38 5.051 0.054 -0.143 1.00 1.00 O ATOM 0 H SER A 38 8.452 1.654 1.920 1.00 1.00 H new ATOM 0 HA SER A 38 5.852 0.445 2.209 1.00 1.00 H new ATOM 0 HB2 SER A 38 6.663 1.329 -0.365 1.00 1.00 H new ATOM 0 HB3 SER A 38 7.059 -0.378 -0.373 1.00 1.00 H new ATOM 0 HG SER A 38 4.812 -0.761 0.346 1.00 1.00 H new ATOM 624 N GLU A 39 6.822 -1.902 2.336 1.00 1.00 N ATOM 625 CA GLU A 39 7.410 -3.214 2.546 1.00 1.00 C ATOM 626 C GLU A 39 6.774 -4.161 1.508 1.00 1.00 C ATOM 627 O GLU A 39 5.617 -4.012 1.104 1.00 1.00 O ATOM 628 CB GLU A 39 7.162 -3.833 3.929 1.00 1.00 C ATOM 629 CG GLU A 39 6.960 -2.870 5.078 1.00 1.00 C ATOM 630 CD GLU A 39 8.094 -1.951 5.393 1.00 1.00 C ATOM 631 OE1 GLU A 39 8.983 -2.340 6.200 1.00 1.00 O ATOM 632 OE2 GLU A 39 8.034 -0.775 4.921 1.00 1.00 O ATOM 0 H GLU A 39 5.814 -1.868 2.489 1.00 1.00 H new ATOM 0 HA GLU A 39 8.489 -3.088 2.454 1.00 1.00 H new ATOM 0 HB2 GLU A 39 6.282 -4.473 3.863 1.00 1.00 H new ATOM 0 HB3 GLU A 39 8.007 -4.478 4.170 1.00 1.00 H new ATOM 0 HG2 GLU A 39 6.081 -2.263 4.862 1.00 1.00 H new ATOM 0 HG3 GLU A 39 6.735 -3.451 5.972 1.00 1.00 H new ATOM 639 N VAL A 40 7.540 -5.252 1.190 1.00 1.00 N ATOM 640 CA VAL A 40 6.989 -6.405 0.494 1.00 1.00 C ATOM 641 C VAL A 40 7.690 -7.657 1.066 1.00 1.00 C ATOM 642 O VAL A 40 8.901 -7.860 0.961 1.00 1.00 O ATOM 643 CB VAL A 40 7.044 -6.297 -1.044 1.00 1.00 C ATOM 644 CG1 VAL A 40 8.374 -5.780 -1.576 1.00 1.00 C ATOM 645 CG2 VAL A 40 6.691 -7.623 -1.720 1.00 1.00 C ATOM 0 H VAL A 40 8.532 -5.333 1.414 1.00 1.00 H new ATOM 0 HA VAL A 40 5.916 -6.469 0.677 1.00 1.00 H new ATOM 0 HB VAL A 40 6.289 -5.554 -1.300 1.00 1.00 H new ATOM 0 HG11 VAL A 40 8.336 -5.732 -2.664 1.00 1.00 H new ATOM 0 HG12 VAL A 40 8.564 -4.785 -1.175 1.00 1.00 H new ATOM 0 HG13 VAL A 40 9.175 -6.453 -1.270 1.00 1.00 H new ATOM 0 HG21 VAL A 40 6.741 -7.504 -2.802 1.00 1.00 H new ATOM 0 HG22 VAL A 40 7.398 -8.391 -1.406 1.00 1.00 H new ATOM 0 HG23 VAL A 40 5.682 -7.920 -1.434 1.00 1.00 H new ATOM 655 N LYS A 41 6.843 -8.476 1.773 1.00 1.00 N ATOM 656 CA LYS A 41 7.206 -9.793 2.282 1.00 1.00 C ATOM 657 C LYS A 41 6.583 -10.818 1.306 1.00 1.00 C ATOM 658 O LYS A 41 5.462 -10.658 0.819 1.00 1.00 O ATOM 659 CB LYS A 41 6.604 -9.947 3.684 1.00 1.00 C ATOM 660 CG LYS A 41 7.030 -11.215 4.433 1.00 1.00 C ATOM 661 CD LYS A 41 5.820 -11.881 5.095 1.00 1.00 C ATOM 662 CE LYS A 41 6.194 -13.158 5.833 1.00 1.00 C ATOM 663 NZ LYS A 41 4.982 -13.756 6.406 1.00 1.00 N ATOM 0 H LYS A 41 5.883 -8.212 1.994 1.00 1.00 H new ATOM 0 HA LYS A 41 8.284 -9.938 2.350 1.00 1.00 H new ATOM 0 HB2 LYS A 41 6.883 -9.079 4.281 1.00 1.00 H new ATOM 0 HB3 LYS A 41 5.517 -9.940 3.600 1.00 1.00 H new ATOM 0 HG2 LYS A 41 7.502 -11.912 3.740 1.00 1.00 H new ATOM 0 HG3 LYS A 41 7.774 -10.965 5.190 1.00 1.00 H new ATOM 0 HD2 LYS A 41 5.361 -11.182 5.794 1.00 1.00 H new ATOM 0 HD3 LYS A 41 5.073 -12.109 4.335 1.00 1.00 H new ATOM 0 HE2 LYS A 41 6.673 -13.860 5.150 1.00 1.00 H new ATOM 0 HE3 LYS A 41 6.914 -12.939 6.622 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 5.248 -14.447 7.136 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 4.395 -13.011 6.832 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 4.443 -14.235 5.656 1.00 1.00 H new ATOM 677 N GLN A 42 7.355 -11.927 1.034 1.00 1.00 N ATOM 678 CA GLN A 42 6.766 -13.113 0.397 1.00 1.00 C ATOM 679 C GLN A 42 6.342 -14.057 1.543 1.00 1.00 C ATOM 680 O GLN A 42 7.007 -14.148 2.577 1.00 1.00 O ATOM 681 CB GLN A 42 7.788 -13.783 -0.522 1.00 1.00 C ATOM 682 CG GLN A 42 7.171 -14.883 -1.389 1.00 1.00 C ATOM 683 CD GLN A 42 8.095 -15.303 -2.511 1.00 1.00 C ATOM 684 OE1 GLN A 42 9.243 -14.894 -2.655 1.00 1.00 O ATOM 685 NE2 GLN A 42 7.542 -16.197 -3.379 1.00 1.00 N ATOM 0 H GLN A 42 8.350 -12.003 1.246 1.00 1.00 H new ATOM 0 HA GLN A 42 5.909 -12.851 -0.223 1.00 1.00 H new ATOM 0 HB2 GLN A 42 8.240 -13.029 -1.166 1.00 1.00 H new ATOM 0 HB3 GLN A 42 8.589 -14.209 0.082 1.00 1.00 H new ATOM 0 HG2 GLN A 42 6.939 -15.748 -0.767 1.00 1.00 H new ATOM 0 HG3 GLN A 42 6.229 -14.529 -1.808 1.00 1.00 H new ATOM 0 HE21 GLN A 42 6.585 -16.521 -3.237 1.00 1.00 H new ATOM 0 HE22 GLN A 42 8.085 -16.542 -4.171 1.00 1.00 H new ATOM 694 N ASP A 43 5.199 -14.780 1.312 1.00 1.00 N ATOM 695 CA ASP A 43 4.652 -15.743 2.274 1.00 1.00 C ATOM 696 C ASP A 43 4.833 -17.175 1.717 1.00 1.00 C ATOM 697 O ASP A 43 4.956 -18.156 2.450 1.00 1.00 O ATOM 698 CB ASP A 43 3.177 -15.469 2.527 1.00 1.00 C ATOM 699 CG ASP A 43 3.067 -14.266 3.428 1.00 1.00 C ATOM 700 OD1 ASP A 43 3.514 -14.414 4.606 1.00 1.00 O ATOM 701 OD2 ASP A 43 2.544 -13.230 2.934 1.00 1.00 O ATOM 0 H ASP A 43 4.650 -14.699 0.456 1.00 1.00 H new ATOM 0 HA ASP A 43 5.186 -15.644 3.219 1.00 1.00 H new ATOM 0 HB2 ASP A 43 2.658 -15.287 1.586 1.00 1.00 H new ATOM 0 HB3 ASP A 43 2.704 -16.335 2.990 1.00 1.00 H new ATOM 706 N GLY A 44 4.717 -17.294 0.349 1.00 1.00 N ATOM 707 CA GLY A 44 4.903 -18.557 -0.335 1.00 1.00 C ATOM 708 C GLY A 44 4.600 -18.333 -1.817 1.00 1.00 C ATOM 709 O GLY A 44 5.325 -17.644 -2.535 1.00 1.00 O ATOM 0 H GLY A 44 4.495 -16.514 -0.269 1.00 1.00 H new ATOM 0 HA2 GLY A 44 5.924 -18.916 -0.204 1.00 1.00 H new ATOM 0 HA3 GLY A 44 4.241 -19.317 0.080 1.00 1.00 H new ATOM 713 N GLN A 45 3.373 -18.814 -2.228 1.00 1.00 N ATOM 714 CA GLN A 45 2.769 -18.361 -3.497 1.00 1.00 C ATOM 715 C GLN A 45 2.090 -16.981 -3.278 1.00 1.00 C ATOM 716 O GLN A 45 1.648 -16.289 -4.197 1.00 1.00 O ATOM 717 CB GLN A 45 1.718 -19.389 -3.950 1.00 1.00 C ATOM 718 CG GLN A 45 1.107 -19.123 -5.330 1.00 1.00 C ATOM 719 CD GLN A 45 2.063 -19.372 -6.474 1.00 1.00 C ATOM 720 OE1 GLN A 45 3.240 -19.676 -6.344 1.00 1.00 O ATOM 721 NE2 GLN A 45 1.494 -19.233 -7.705 1.00 1.00 N ATOM 0 H GLN A 45 2.816 -19.491 -1.706 1.00 1.00 H new ATOM 0 HA GLN A 45 3.540 -18.267 -4.262 1.00 1.00 H new ATOM 0 HB2 GLN A 45 2.177 -20.377 -3.957 1.00 1.00 H new ATOM 0 HB3 GLN A 45 0.916 -19.415 -3.213 1.00 1.00 H new ATOM 0 HG2 GLN A 45 0.229 -19.756 -5.457 1.00 1.00 H new ATOM 0 HG3 GLN A 45 0.764 -18.089 -5.373 1.00 1.00 H new ATOM 0 HE21 GLN A 45 0.510 -18.979 -7.786 1.00 1.00 H new ATOM 0 HE22 GLN A 45 2.053 -19.383 -8.545 1.00 1.00 H new ATOM 730 N ASN A 46 1.866 -16.662 -1.963 1.00 1.00 N ATOM 731 CA ASN A 46 1.310 -15.420 -1.514 1.00 1.00 C ATOM 732 C ASN A 46 2.451 -14.446 -1.184 1.00 1.00 C ATOM 733 O ASN A 46 3.570 -14.821 -0.831 1.00 1.00 O ATOM 734 CB ASN A 46 0.363 -15.589 -0.330 1.00 1.00 C ATOM 735 CG ASN A 46 0.610 -16.786 0.569 1.00 1.00 C ATOM 736 OD1 ASN A 46 1.472 -17.641 0.391 1.00 1.00 O ATOM 737 ND2 ASN A 46 -0.236 -16.861 1.638 1.00 1.00 N ATOM 0 H ASN A 46 2.085 -17.301 -1.199 1.00 1.00 H new ATOM 0 HA ASN A 46 0.702 -15.011 -2.321 1.00 1.00 H new ATOM 0 HB2 ASN A 46 0.416 -14.687 0.280 1.00 1.00 H new ATOM 0 HB3 ASN A 46 -0.655 -15.655 -0.714 1.00 1.00 H new ATOM 0 HD21 ASN A 46 -0.155 -17.634 2.299 1.00 1.00 H new ATOM 0 HD22 ASN A 46 -0.949 -16.144 1.776 1.00 1.00 H new ATOM 744 N PHE A 47 2.087 -13.128 -1.300 1.00 1.00 N ATOM 745 CA PHE A 47 2.917 -12.026 -0.836 1.00 1.00 C ATOM 746 C PHE A 47 2.036 -11.178 0.089 1.00 1.00 C ATOM 747 O PHE A 47 0.812 -11.113 -0.049 1.00 1.00 O ATOM 748 CB PHE A 47 3.394 -11.123 -1.982 1.00 1.00 C ATOM 749 CG PHE A 47 4.439 -11.729 -2.888 1.00 1.00 C ATOM 750 CD1 PHE A 47 4.096 -12.707 -3.830 1.00 1.00 C ATOM 751 CD2 PHE A 47 5.773 -11.311 -2.801 1.00 1.00 C ATOM 752 CE1 PHE A 47 5.071 -13.266 -4.657 1.00 1.00 C ATOM 753 CE2 PHE A 47 6.745 -11.860 -3.638 1.00 1.00 C ATOM 754 CZ PHE A 47 6.394 -12.839 -4.564 1.00 1.00 C ATOM 0 H PHE A 47 1.207 -12.828 -1.720 1.00 1.00 H new ATOM 0 HA PHE A 47 3.801 -12.433 -0.346 1.00 1.00 H new ATOM 0 HB2 PHE A 47 2.531 -10.844 -2.586 1.00 1.00 H new ATOM 0 HB3 PHE A 47 3.795 -10.204 -1.555 1.00 1.00 H new ATOM 0 HD1 PHE A 47 3.069 -13.031 -3.917 1.00 1.00 H new ATOM 0 HD2 PHE A 47 6.052 -10.557 -2.080 1.00 1.00 H new ATOM 0 HE1 PHE A 47 4.800 -14.031 -5.370 1.00 1.00 H new ATOM 0 HE2 PHE A 47 7.770 -11.526 -3.568 1.00 1.00 H new ATOM 0 HZ PHE A 47 7.147 -13.267 -5.210 1.00 1.00 H new ATOM 764 N THR A 48 2.735 -10.439 1.005 1.00 1.00 N ATOM 765 CA THR A 48 2.107 -9.454 1.873 1.00 1.00 C ATOM 766 C THR A 48 2.848 -8.138 1.597 1.00 1.00 C ATOM 767 O THR A 48 4.013 -7.935 1.940 1.00 1.00 O ATOM 768 CB THR A 48 2.131 -9.890 3.343 1.00 1.00 C ATOM 769 OG1 THR A 48 1.245 -11.010 3.519 1.00 1.00 O ATOM 770 CG2 THR A 48 1.625 -8.793 4.274 1.00 1.00 C ATOM 0 H THR A 48 3.742 -10.526 1.143 1.00 1.00 H new ATOM 0 HA THR A 48 1.044 -9.335 1.664 1.00 1.00 H new ATOM 0 HB THR A 48 3.166 -10.132 3.586 1.00 1.00 H new ATOM 0 HG1 THR A 48 1.595 -11.784 3.030 1.00 1.00 H new ATOM 0 HG21 THR A 48 1.660 -9.146 5.305 1.00 1.00 H new ATOM 0 HG22 THR A 48 2.255 -7.910 4.172 1.00 1.00 H new ATOM 0 HG23 THR A 48 0.598 -8.539 4.012 1.00 1.00 H new ATOM 778 N TRP A 49 2.128 -7.273 0.800 1.00 1.00 N ATOM 779 CA TRP A 49 2.615 -5.945 0.420 1.00 1.00 C ATOM 780 C TRP A 49 2.055 -4.965 1.465 1.00 1.00 C ATOM 781 O TRP A 49 0.934 -5.096 1.963 1.00 1.00 O ATOM 782 CB TRP A 49 2.082 -5.582 -0.965 1.00 1.00 C ATOM 783 CG TRP A 49 2.910 -4.603 -1.738 1.00 1.00 C ATOM 784 CD1 TRP A 49 2.961 -3.234 -1.559 1.00 1.00 C ATOM 785 CD2 TRP A 49 3.725 -4.901 -2.880 1.00 1.00 C ATOM 786 NE1 TRP A 49 3.733 -2.695 -2.555 1.00 1.00 N ATOM 787 CE2 TRP A 49 4.188 -3.689 -3.389 1.00 1.00 C ATOM 788 CE3 TRP A 49 4.073 -6.088 -3.557 1.00 1.00 C ATOM 789 CZ2 TRP A 49 4.947 -3.603 -4.562 1.00 1.00 C ATOM 790 CZ3 TRP A 49 4.852 -6.024 -4.718 1.00 1.00 C ATOM 791 CH2 TRP A 49 5.279 -4.795 -5.212 1.00 1.00 C ATOM 0 H TRP A 49 1.208 -7.497 0.420 1.00 1.00 H new ATOM 0 HA TRP A 49 3.704 -5.912 0.386 1.00 1.00 H new ATOM 0 HB2 TRP A 49 1.991 -6.496 -1.551 1.00 1.00 H new ATOM 0 HB3 TRP A 49 1.078 -5.173 -0.853 1.00 1.00 H new ATOM 0 HD1 TRP A 49 2.475 -2.682 -0.768 1.00 1.00 H new ATOM 0 HE1 TRP A 49 3.940 -1.702 -2.662 1.00 1.00 H new ATOM 0 HE3 TRP A 49 3.739 -7.044 -3.181 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 5.265 -2.647 -4.952 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 5.123 -6.933 -5.233 1.00 1.00 H new ATOM 0 HH2 TRP A 49 5.876 -4.762 -6.111 1.00 1.00 H new ATOM 802 N SER A 50 2.877 -3.912 1.776 1.00 1.00 N ATOM 803 CA SER A 50 2.540 -2.954 2.822 1.00 1.00 C ATOM 804 C SER A 50 3.111 -1.586 2.424 1.00 1.00 C ATOM 805 O SER A 50 4.165 -1.467 1.798 1.00 1.00 O ATOM 806 CB SER A 50 3.104 -3.376 4.180 1.00 1.00 C ATOM 807 OG SER A 50 2.597 -2.570 5.241 1.00 1.00 O ATOM 0 H SER A 50 3.764 -3.727 1.308 1.00 1.00 H new ATOM 0 HA SER A 50 1.456 -2.907 2.921 1.00 1.00 H new ATOM 0 HB2 SER A 50 2.856 -4.421 4.367 1.00 1.00 H new ATOM 0 HB3 SER A 50 4.192 -3.306 4.159 1.00 1.00 H new ATOM 0 HG SER A 50 1.698 -2.876 5.483 1.00 1.00 H new ATOM 813 N GLN A 51 2.367 -0.500 2.807 1.00 1.00 N ATOM 814 CA GLN A 51 2.774 0.883 2.604 1.00 1.00 C ATOM 815 C GLN A 51 2.592 1.598 3.958 1.00 1.00 C ATOM 816 O GLN A 51 1.550 1.495 4.614 1.00 1.00 O ATOM 817 CB GLN A 51 1.918 1.615 1.564 1.00 1.00 C ATOM 818 CG GLN A 51 1.724 0.866 0.244 1.00 1.00 C ATOM 819 CD GLN A 51 2.064 1.732 -0.943 1.00 1.00 C ATOM 820 OE1 GLN A 51 1.231 2.217 -1.702 1.00 1.00 O ATOM 821 NE2 GLN A 51 3.391 1.952 -1.130 1.00 1.00 N ATOM 0 H GLN A 51 1.462 -0.589 3.268 1.00 1.00 H new ATOM 0 HA GLN A 51 3.801 0.892 2.240 1.00 1.00 H new ATOM 0 HB2 GLN A 51 0.938 1.816 1.998 1.00 1.00 H new ATOM 0 HB3 GLN A 51 2.377 2.581 1.352 1.00 1.00 H new ATOM 0 HG2 GLN A 51 2.351 -0.026 0.236 1.00 1.00 H new ATOM 0 HG3 GLN A 51 0.690 0.529 0.165 1.00 1.00 H new ATOM 0 HE21 GLN A 51 4.071 1.542 -0.490 1.00 1.00 H new ATOM 0 HE22 GLN A 51 3.708 2.528 -1.910 1.00 1.00 H new ATOM 830 N GLN A 52 3.660 2.357 4.382 1.00 1.00 N ATOM 831 CA GLN A 52 3.483 3.338 5.448 1.00 1.00 C ATOM 832 C GLN A 52 3.262 4.701 4.757 1.00 1.00 C ATOM 833 O GLN A 52 4.101 5.205 4.008 1.00 1.00 O ATOM 834 CB GLN A 52 4.707 3.496 6.359 1.00 1.00 C ATOM 835 CG GLN A 52 5.084 2.250 7.154 1.00 1.00 C ATOM 836 CD GLN A 52 6.313 1.564 6.598 1.00 1.00 C ATOM 837 OE1 GLN A 52 7.407 1.556 7.161 1.00 1.00 O ATOM 838 NE2 GLN A 52 6.130 0.965 5.390 1.00 1.00 N ATOM 0 H GLN A 52 4.605 2.294 4.003 1.00 1.00 H new ATOM 0 HA GLN A 52 2.654 3.003 6.072 1.00 1.00 H new ATOM 0 HB2 GLN A 52 5.560 3.791 5.748 1.00 1.00 H new ATOM 0 HB3 GLN A 52 4.518 4.311 7.058 1.00 1.00 H new ATOM 0 HG2 GLN A 52 5.263 2.525 8.193 1.00 1.00 H new ATOM 0 HG3 GLN A 52 4.247 1.552 7.149 1.00 1.00 H new ATOM 0 HE21 GLN A 52 5.213 0.986 4.944 1.00 1.00 H new ATOM 0 HE22 GLN A 52 6.910 0.495 4.930 1.00 1.00 H new ATOM 847 N TYR A 53 2.048 5.288 5.035 1.00 1.00 N ATOM 848 CA TYR A 53 1.825 6.701 4.706 1.00 1.00 C ATOM 849 C TYR A 53 2.561 7.476 5.823 1.00 1.00 C ATOM 850 O TYR A 53 2.662 7.002 6.964 1.00 1.00 O ATOM 851 CB TYR A 53 0.319 6.979 4.754 1.00 1.00 C ATOM 852 CG TYR A 53 -0.179 8.229 4.086 1.00 1.00 C ATOM 853 CD1 TYR A 53 -0.266 9.428 4.812 1.00 1.00 C ATOM 854 CD2 TYR A 53 -0.619 8.196 2.758 1.00 1.00 C ATOM 855 CE1 TYR A 53 -0.808 10.571 4.230 1.00 1.00 C ATOM 856 CE2 TYR A 53 -1.171 9.335 2.179 1.00 1.00 C ATOM 857 CZ TYR A 53 -1.268 10.507 2.921 1.00 1.00 C ATOM 858 OH TYR A 53 -1.820 11.591 2.312 1.00 1.00 O ATOM 0 H TYR A 53 1.256 4.812 5.467 1.00 1.00 H new ATOM 0 HA TYR A 53 2.184 6.984 3.717 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -0.194 6.130 4.303 1.00 1.00 H new ATOM 0 HB3 TYR A 53 0.017 7.014 5.801 1.00 1.00 H new ATOM 0 HD1 TYR A 53 0.091 9.464 5.831 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -0.530 7.287 2.182 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -0.870 11.494 4.788 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -1.522 9.309 1.158 1.00 1.00 H new ATOM 0 HH TYR A 53 -1.424 12.409 2.678 1.00 1.00 H new ATOM 868 N PRO A 54 3.063 8.726 5.548 1.00 1.00 N ATOM 869 CA PRO A 54 3.831 9.447 6.567 1.00 1.00 C ATOM 870 C PRO A 54 2.892 9.941 7.688 1.00 1.00 C ATOM 871 O PRO A 54 2.168 10.931 7.605 1.00 1.00 O ATOM 872 CB PRO A 54 4.522 10.583 5.811 1.00 1.00 C ATOM 873 CG PRO A 54 3.727 10.717 4.517 1.00 1.00 C ATOM 874 CD PRO A 54 3.287 9.294 4.231 1.00 1.00 C ATOM 0 HA PRO A 54 4.572 8.826 7.071 1.00 1.00 H new ATOM 0 HB2 PRO A 54 4.506 11.510 6.385 1.00 1.00 H new ATOM 0 HB3 PRO A 54 5.568 10.349 5.612 1.00 1.00 H new ATOM 0 HG2 PRO A 54 2.875 11.386 4.636 1.00 1.00 H new ATOM 0 HG3 PRO A 54 4.338 11.120 3.709 1.00 1.00 H new ATOM 0 HD2 PRO A 54 2.380 9.270 3.626 1.00 1.00 H new ATOM 0 HD3 PRO A 54 4.051 8.742 3.683 1.00 1.00 H new ATOM 882 N GLY A 55 2.835 9.073 8.760 1.00 1.00 N ATOM 883 CA GLY A 55 2.034 9.330 9.944 1.00 1.00 C ATOM 884 C GLY A 55 0.578 8.878 9.798 1.00 1.00 C ATOM 885 O GLY A 55 0.024 8.148 10.615 1.00 1.00 O ATOM 0 H GLY A 55 3.350 8.193 8.795 1.00 1.00 H new ATOM 0 HA2 GLY A 55 2.482 8.819 10.796 1.00 1.00 H new ATOM 0 HA3 GLY A 55 2.056 10.397 10.165 1.00 1.00 H new ATOM 889 N GLY A 56 -0.091 9.409 8.712 1.00 1.00 N ATOM 890 CA GLY A 56 -1.543 9.479 8.742 1.00 1.00 C ATOM 891 C GLY A 56 -2.314 8.183 8.452 1.00 1.00 C ATOM 892 O GLY A 56 -3.543 8.125 8.529 1.00 1.00 O ATOM 0 H GLY A 56 0.351 9.767 7.865 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -1.844 9.838 9.726 1.00 1.00 H new ATOM 0 HA3 GLY A 56 -1.860 10.230 8.018 1.00 1.00 H new ATOM 896 N HIS A 57 -1.568 7.119 7.999 1.00 1.00 N ATOM 897 CA HIS A 57 -2.176 5.814 7.755 1.00 1.00 C ATOM 898 C HIS A 57 -1.075 4.777 7.457 1.00 1.00 C ATOM 899 O HIS A 57 0.076 5.081 7.142 1.00 1.00 O ATOM 900 CB HIS A 57 -3.145 5.856 6.549 1.00 1.00 C ATOM 901 CG HIS A 57 -4.489 5.280 6.863 1.00 1.00 C ATOM 902 ND1 HIS A 57 -4.823 3.956 6.532 1.00 1.00 N ATOM 903 CD2 HIS A 57 -5.617 5.914 7.459 1.00 1.00 C ATOM 904 CE1 HIS A 57 -6.151 3.790 6.900 1.00 1.00 C ATOM 905 NE2 HIS A 57 -6.653 4.985 7.480 1.00 1.00 N ATOM 0 H HIS A 57 -0.567 7.163 7.807 1.00 1.00 H new ATOM 0 HA HIS A 57 -2.736 5.539 8.649 1.00 1.00 H new ATOM 0 HB2 HIS A 57 -3.265 6.889 6.222 1.00 1.00 H new ATOM 0 HB3 HIS A 57 -2.705 5.307 5.717 1.00 1.00 H new ATOM 0 HD1 HIS A 57 -4.213 3.258 6.107 1.00 1.00 H new ATOM 0 HD2 HIS A 57 -5.660 6.929 7.827 1.00 1.00 H new ATOM 0 HE1 HIS A 57 -6.721 2.882 6.765 1.00 1.00 H new ATOM 914 N SER A 58 -1.492 3.473 7.482 1.00 1.00 N ATOM 915 CA SER A 58 -0.813 2.453 6.688 1.00 1.00 C ATOM 916 C SER A 58 -1.812 1.994 5.611 1.00 1.00 C ATOM 917 O SER A 58 -3.025 2.204 5.692 1.00 1.00 O ATOM 918 CB SER A 58 -0.354 1.268 7.540 1.00 1.00 C ATOM 919 OG SER A 58 -1.448 0.743 8.297 1.00 1.00 O ATOM 0 H SER A 58 -2.277 3.131 8.036 1.00 1.00 H new ATOM 0 HA SER A 58 0.091 2.868 6.243 1.00 1.00 H new ATOM 0 HB2 SER A 58 0.059 0.490 6.899 1.00 1.00 H new ATOM 0 HB3 SER A 58 0.444 1.583 8.213 1.00 1.00 H new ATOM 0 HG SER A 58 -1.139 -0.015 8.835 1.00 1.00 H new ATOM 925 N ILE A 59 -1.247 1.345 4.548 1.00 1.00 N ATOM 926 CA ILE A 59 -2.041 0.632 3.542 1.00 1.00 C ATOM 927 C ILE A 59 -1.347 -0.738 3.485 1.00 1.00 C ATOM 928 O ILE A 59 -0.125 -0.849 3.626 1.00 1.00 O ATOM 929 CB ILE A 59 -2.042 1.340 2.167 1.00 1.00 C ATOM 930 CG1 ILE A 59 -2.232 2.869 2.306 1.00 1.00 C ATOM 931 CG2 ILE A 59 -3.118 0.733 1.264 1.00 1.00 C ATOM 932 CD1 ILE A 59 -2.281 3.620 0.982 1.00 1.00 C ATOM 0 H ILE A 59 -0.241 1.311 4.381 1.00 1.00 H new ATOM 0 HA ILE A 59 -3.099 0.576 3.798 1.00 1.00 H new ATOM 0 HB ILE A 59 -1.066 1.182 1.707 1.00 1.00 H new ATOM 0 HG12 ILE A 59 -3.156 3.060 2.852 1.00 1.00 H new ATOM 0 HG13 ILE A 59 -1.417 3.271 2.908 1.00 1.00 H new ATOM 0 HG21 ILE A 59 -3.110 1.239 0.298 1.00 1.00 H new ATOM 0 HG22 ILE A 59 -2.916 -0.328 1.120 1.00 1.00 H new ATOM 0 HG23 ILE A 59 -4.096 0.856 1.730 1.00 1.00 H new ATOM 0 HD11 ILE A 59 -2.416 4.685 1.172 1.00 1.00 H new ATOM 0 HD12 ILE A 59 -1.348 3.464 0.440 1.00 1.00 H new ATOM 0 HD13 ILE A 59 -3.114 3.250 0.384 1.00 1.00 H new ATOM 944 N THR A 60 -2.119 -1.854 3.335 1.00 1.00 N ATOM 945 CA THR A 60 -1.539 -3.214 3.362 1.00 1.00 C ATOM 946 C THR A 60 -2.563 -4.176 2.767 1.00 1.00 C ATOM 947 O THR A 60 -3.768 -4.011 2.946 1.00 1.00 O ATOM 948 CB THR A 60 -1.166 -3.643 4.812 1.00 1.00 C ATOM 949 OG1 THR A 60 -0.015 -2.920 5.294 1.00 1.00 O ATOM 950 CG2 THR A 60 -0.816 -5.116 4.992 1.00 1.00 C ATOM 0 H THR A 60 -3.129 -1.831 3.197 1.00 1.00 H new ATOM 0 HA THR A 60 -0.619 -3.229 2.778 1.00 1.00 H new ATOM 0 HB THR A 60 -2.079 -3.424 5.366 1.00 1.00 H new ATOM 0 HG1 THR A 60 0.223 -2.218 4.653 1.00 1.00 H new ATOM 0 HG21 THR A 60 -0.572 -5.307 6.037 1.00 1.00 H new ATOM 0 HG22 THR A 60 -1.667 -5.731 4.700 1.00 1.00 H new ATOM 0 HG23 THR A 60 0.042 -5.365 4.368 1.00 1.00 H new ATOM 958 N ASN A 61 -2.026 -5.250 2.096 1.00 1.00 N ATOM 959 CA ASN A 61 -2.852 -6.411 1.779 1.00 1.00 C ATOM 960 C ASN A 61 -1.916 -7.622 1.619 1.00 1.00 C ATOM 961 O ASN A 61 -0.814 -7.539 1.072 1.00 1.00 O ATOM 962 CB ASN A 61 -3.647 -6.228 0.483 1.00 1.00 C ATOM 963 CG ASN A 61 -5.097 -6.611 0.662 1.00 1.00 C ATOM 964 OD1 ASN A 61 -6.026 -5.821 0.537 1.00 1.00 O ATOM 965 ND2 ASN A 61 -5.343 -7.925 0.941 1.00 1.00 N ATOM 0 H ASN A 61 -1.057 -5.312 1.785 1.00 1.00 H new ATOM 0 HA ASN A 61 -3.572 -6.552 2.585 1.00 1.00 H new ATOM 0 HB2 ASN A 61 -3.582 -5.189 0.159 1.00 1.00 H new ATOM 0 HB3 ASN A 61 -3.204 -6.836 -0.305 1.00 1.00 H new ATOM 0 HD21 ASN A 61 -6.303 -8.253 1.046 1.00 1.00 H new ATOM 0 HD22 ASN A 61 -4.567 -8.578 1.044 1.00 1.00 H new ATOM 972 N THR A 62 -2.449 -8.808 2.075 1.00 1.00 N ATOM 973 CA THR A 62 -1.906 -10.093 1.622 1.00 1.00 C ATOM 974 C THR A 62 -2.616 -10.375 0.288 1.00 1.00 C ATOM 975 O THR A 62 -3.784 -10.041 0.076 1.00 1.00 O ATOM 976 CB THR A 62 -2.153 -11.223 2.638 1.00 1.00 C ATOM 977 OG1 THR A 62 -1.515 -10.919 3.887 1.00 1.00 O ATOM 978 CG2 THR A 62 -1.650 -12.590 2.180 1.00 1.00 C ATOM 0 H THR A 62 -3.226 -8.877 2.732 1.00 1.00 H new ATOM 0 HA THR A 62 -0.823 -10.048 1.512 1.00 1.00 H new ATOM 0 HB THR A 62 -3.236 -11.282 2.742 1.00 1.00 H new ATOM 0 HG1 THR A 62 -0.542 -10.933 3.769 1.00 1.00 H new ATOM 0 HG21 THR A 62 -1.861 -13.332 2.950 1.00 1.00 H new ATOM 0 HG22 THR A 62 -2.154 -12.872 1.256 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.575 -12.543 2.007 1.00 1.00 H new ATOM 986 N PHE A 63 -1.872 -11.046 -0.642 1.00 1.00 N ATOM 987 CA PHE A 63 -2.390 -11.384 -1.957 1.00 1.00 C ATOM 988 C PHE A 63 -1.671 -12.650 -2.442 1.00 1.00 C ATOM 989 O PHE A 63 -0.605 -13.027 -1.953 1.00 1.00 O ATOM 990 CB PHE A 63 -2.364 -10.203 -2.931 1.00 1.00 C ATOM 991 CG PHE A 63 -1.032 -9.627 -3.357 1.00 1.00 C ATOM 992 CD1 PHE A 63 -0.097 -10.389 -4.072 1.00 1.00 C ATOM 993 CD2 PHE A 63 -0.770 -8.263 -3.164 1.00 1.00 C ATOM 994 CE1 PHE A 63 1.042 -9.800 -4.617 1.00 1.00 C ATOM 995 CE2 PHE A 63 0.376 -7.677 -3.703 1.00 1.00 C ATOM 996 CZ PHE A 63 1.273 -8.443 -4.440 1.00 1.00 C ATOM 0 H PHE A 63 -0.913 -11.353 -0.482 1.00 1.00 H new ATOM 0 HA PHE A 63 -3.455 -11.610 -1.897 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -2.892 -10.510 -3.834 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.942 -9.395 -2.483 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -0.262 -11.448 -4.202 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -1.461 -7.661 -2.593 1.00 1.00 H new ATOM 0 HE1 PHE A 63 1.745 -10.399 -5.177 1.00 1.00 H new ATOM 0 HE2 PHE A 63 0.567 -6.625 -3.547 1.00 1.00 H new ATOM 0 HZ PHE A 63 2.148 -7.982 -4.874 1.00 1.00 H new ATOM 1006 N THR A 64 -2.300 -13.364 -3.441 1.00 1.00 N ATOM 1007 CA THR A 64 -1.767 -14.660 -3.900 1.00 1.00 C ATOM 1008 C THR A 64 -1.708 -14.723 -5.430 1.00 1.00 C ATOM 1009 O THR A 64 -2.662 -14.416 -6.142 1.00 1.00 O ATOM 1010 CB THR A 64 -2.623 -15.829 -3.368 1.00 1.00 C ATOM 1011 OG1 THR A 64 -2.958 -15.644 -1.987 1.00 1.00 O ATOM 1012 CG2 THR A 64 -1.916 -17.172 -3.480 1.00 1.00 C ATOM 0 H THR A 64 -3.149 -13.059 -3.918 1.00 1.00 H new ATOM 0 HA THR A 64 -0.755 -14.753 -3.505 1.00 1.00 H new ATOM 0 HB THR A 64 -3.518 -15.834 -3.990 1.00 1.00 H new ATOM 0 HG1 THR A 64 -3.502 -16.399 -1.678 1.00 1.00 H new ATOM 0 HG21 THR A 64 -2.564 -17.958 -3.091 1.00 1.00 H new ATOM 0 HG22 THR A 64 -1.686 -17.376 -4.526 1.00 1.00 H new ATOM 0 HG23 THR A 64 -0.991 -17.146 -2.903 1.00 1.00 H new ATOM 1020 N ILE A 65 -0.509 -15.170 -5.938 1.00 1.00 N ATOM 1021 CA ILE A 65 -0.242 -15.202 -7.373 1.00 1.00 C ATOM 1022 C ILE A 65 -1.023 -16.388 -7.991 1.00 1.00 C ATOM 1023 O ILE A 65 -0.766 -17.561 -7.721 1.00 1.00 O ATOM 1024 CB ILE A 65 1.277 -15.369 -7.643 1.00 1.00 C ATOM 1025 CG1 ILE A 65 2.147 -14.272 -6.985 1.00 1.00 C ATOM 1026 CG2 ILE A 65 1.582 -15.455 -9.143 1.00 1.00 C ATOM 1027 CD1 ILE A 65 1.849 -12.843 -7.414 1.00 1.00 C ATOM 0 H ILE A 65 0.263 -15.504 -5.360 1.00 1.00 H new ATOM 0 HA ILE A 65 -0.563 -14.264 -7.825 1.00 1.00 H new ATOM 0 HB ILE A 65 1.547 -16.314 -7.172 1.00 1.00 H new ATOM 0 HG12 ILE A 65 2.026 -14.339 -5.904 1.00 1.00 H new ATOM 0 HG13 ILE A 65 3.193 -14.486 -7.203 1.00 1.00 H new ATOM 0 HG21 ILE A 65 2.656 -15.571 -9.290 1.00 1.00 H new ATOM 0 HG22 ILE A 65 1.062 -16.312 -9.571 1.00 1.00 H new ATOM 0 HG23 ILE A 65 1.245 -14.543 -9.636 1.00 1.00 H new ATOM 0 HD11 ILE A 65 2.517 -12.159 -6.891 1.00 1.00 H new ATOM 0 HD12 ILE A 65 2.001 -12.747 -8.489 1.00 1.00 H new ATOM 0 HD13 ILE A 65 0.815 -12.598 -7.170 1.00 1.00 H new ATOM 1039 N GLY A 66 -2.019 -16.017 -8.866 1.00 1.00 N ATOM 1040 CA GLY A 66 -2.850 -16.973 -9.577 1.00 1.00 C ATOM 1041 C GLY A 66 -4.250 -17.201 -8.994 1.00 1.00 C ATOM 1042 O GLY A 66 -5.061 -17.932 -9.561 1.00 1.00 O ATOM 0 H GLY A 66 -2.243 -15.044 -9.076 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -2.956 -16.637 -10.609 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -2.328 -17.930 -9.605 1.00 1.00 H new ATOM 1046 N LYS A 67 -4.513 -16.588 -7.792 1.00 1.00 N ATOM 1047 CA LYS A 67 -5.831 -16.672 -7.171 1.00 1.00 C ATOM 1048 C LYS A 67 -6.591 -15.352 -7.445 1.00 1.00 C ATOM 1049 O LYS A 67 -6.017 -14.284 -7.678 1.00 1.00 O ATOM 1050 CB LYS A 67 -5.654 -16.857 -5.654 1.00 1.00 C ATOM 1051 CG LYS A 67 -6.838 -17.547 -4.967 1.00 1.00 C ATOM 1052 CD LYS A 67 -6.770 -17.379 -3.444 1.00 1.00 C ATOM 1053 CE LYS A 67 -8.086 -17.706 -2.746 1.00 1.00 C ATOM 1054 NZ LYS A 67 -9.095 -16.693 -3.058 1.00 1.00 N ATOM 0 H LYS A 67 -3.829 -16.047 -7.263 1.00 1.00 H new ATOM 0 HA LYS A 67 -6.392 -17.513 -7.579 1.00 1.00 H new ATOM 0 HB2 LYS A 67 -4.752 -17.441 -5.473 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -5.500 -15.880 -5.195 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.773 -17.129 -5.340 1.00 1.00 H new ATOM 0 HG3 LYS A 67 -6.840 -18.608 -5.219 1.00 1.00 H new ATOM 0 HD2 LYS A 67 -5.986 -18.024 -3.048 1.00 1.00 H new ATOM 0 HD3 LYS A 67 -6.487 -16.353 -3.210 1.00 1.00 H new ATOM 0 HE2 LYS A 67 -8.438 -18.688 -3.062 1.00 1.00 H new ATOM 0 HE3 LYS A 67 -7.931 -17.754 -1.668 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 -9.673 -16.507 -2.213 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 -8.625 -15.815 -3.356 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 -9.706 -17.037 -3.826 1.00 1.00 H new ATOM 1068 N GLU A 68 -7.965 -15.414 -7.283 1.00 1.00 N ATOM 1069 CA GLU A 68 -8.686 -14.200 -6.954 1.00 1.00 C ATOM 1070 C GLU A 68 -8.478 -13.876 -5.453 1.00 1.00 C ATOM 1071 O GLU A 68 -8.268 -14.728 -4.587 1.00 1.00 O ATOM 1072 CB GLU A 68 -10.162 -14.222 -7.370 1.00 1.00 C ATOM 1073 CG GLU A 68 -10.987 -15.435 -6.940 1.00 1.00 C ATOM 1074 CD GLU A 68 -11.148 -15.530 -5.437 1.00 1.00 C ATOM 1075 OE1 GLU A 68 -11.727 -14.560 -4.866 1.00 1.00 O ATOM 1076 OE2 GLU A 68 -10.629 -16.549 -4.893 1.00 1.00 O ATOM 0 H GLU A 68 -8.534 -16.256 -7.376 1.00 1.00 H new ATOM 0 HA GLU A 68 -8.268 -13.388 -7.549 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -10.640 -13.328 -6.969 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -10.209 -14.149 -8.457 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -11.972 -15.382 -7.404 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -10.509 -16.343 -7.308 1.00 1.00 H new ATOM 1083 N CYS A 69 -8.531 -12.545 -5.147 1.00 1.00 N ATOM 1084 CA CYS A 69 -8.486 -12.038 -3.782 1.00 1.00 C ATOM 1085 C CYS A 69 -9.565 -10.943 -3.679 1.00 1.00 C ATOM 1086 O CYS A 69 -10.006 -10.349 -4.664 1.00 1.00 O ATOM 1087 CB CYS A 69 -7.111 -11.475 -3.399 1.00 1.00 C ATOM 1088 SG CYS A 69 -5.783 -12.738 -3.417 1.00 1.00 S ATOM 0 H CYS A 69 -8.606 -11.813 -5.853 1.00 1.00 H new ATOM 0 HA CYS A 69 -8.671 -12.856 -3.086 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -6.849 -10.672 -4.088 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -7.171 -11.034 -2.404 1.00 1.00 H new ATOM 0 HG CYS A 69 -6.264 -13.867 -3.847 1.00 1.00 H new ATOM 1094 N ASP A 70 -9.983 -10.691 -2.393 1.00 1.00 N ATOM 1095 CA ASP A 70 -10.808 -9.523 -2.072 1.00 1.00 C ATOM 1096 C ASP A 70 -9.789 -8.451 -1.648 1.00 1.00 C ATOM 1097 O ASP A 70 -8.818 -8.746 -0.948 1.00 1.00 O ATOM 1098 CB ASP A 70 -11.728 -9.773 -0.891 1.00 1.00 C ATOM 1099 CG ASP A 70 -12.978 -10.530 -1.258 1.00 1.00 C ATOM 1100 OD1 ASP A 70 -12.900 -11.427 -2.141 1.00 1.00 O ATOM 1101 OD2 ASP A 70 -14.004 -10.187 -0.592 1.00 1.00 O ATOM 0 H ASP A 70 -9.756 -11.281 -1.593 1.00 1.00 H new ATOM 0 HA ASP A 70 -11.437 -9.254 -2.920 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -11.185 -10.331 -0.128 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -12.008 -8.817 -0.448 1.00 1.00 H new ATOM 1106 N ILE A 71 -10.046 -7.178 -2.086 1.00 1.00 N ATOM 1107 CA ILE A 71 -9.109 -6.076 -1.883 1.00 1.00 C ATOM 1108 C ILE A 71 -9.952 -4.782 -1.769 1.00 1.00 C ATOM 1109 O ILE A 71 -10.805 -4.482 -2.604 1.00 1.00 O ATOM 1110 CB ILE A 71 -8.150 -5.906 -3.100 1.00 1.00 C ATOM 1111 CG1 ILE A 71 -7.393 -7.177 -3.549 1.00 1.00 C ATOM 1112 CG2 ILE A 71 -7.151 -4.777 -2.839 1.00 1.00 C ATOM 1113 CD1 ILE A 71 -6.282 -7.641 -2.619 1.00 1.00 C ATOM 0 H ILE A 71 -10.899 -6.913 -2.579 1.00 1.00 H new ATOM 0 HA ILE A 71 -8.510 -6.276 -0.995 1.00 1.00 H new ATOM 0 HB ILE A 71 -8.813 -5.663 -3.931 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -8.113 -7.988 -3.659 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -6.965 -6.995 -4.535 1.00 1.00 H new ATOM 0 HG21 ILE A 71 -6.489 -4.671 -3.698 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -7.691 -3.843 -2.680 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -6.561 -5.011 -1.953 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -5.817 -8.538 -3.027 1.00 1.00 H new ATOM 0 HD12 ILE A 71 -5.533 -6.854 -2.526 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -6.699 -7.863 -1.637 1.00 1.00 H new ATOM 1125 N GLU A 72 -9.645 -3.946 -0.723 1.00 1.00 N ATOM 1126 CA GLU A 72 -9.848 -2.499 -0.848 1.00 1.00 C ATOM 1127 C GLU A 72 -9.020 -1.826 0.255 1.00 1.00 C ATOM 1128 O GLU A 72 -8.458 -2.453 1.152 1.00 1.00 O ATOM 1129 CB GLU A 72 -11.308 -2.026 -0.864 1.00 1.00 C ATOM 1130 CG GLU A 72 -11.688 -1.245 -2.143 1.00 1.00 C ATOM 1131 CD GLU A 72 -11.634 0.260 -1.990 1.00 1.00 C ATOM 1132 OE1 GLU A 72 -10.662 0.739 -1.336 1.00 1.00 O ATOM 1133 OE2 GLU A 72 -12.597 0.938 -2.457 1.00 1.00 O ATOM 0 H GLU A 72 -9.271 -4.254 0.175 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.507 -2.199 -1.839 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -11.963 -2.892 -0.768 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -11.486 -1.393 0.005 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -11.017 -1.541 -2.949 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -12.695 -1.532 -2.445 1.00 1.00 H new ATOM 1140 N THR A 73 -8.917 -0.470 0.115 1.00 1.00 N ATOM 1141 CA THR A 73 -8.326 0.378 1.148 1.00 1.00 C ATOM 1142 C THR A 73 -8.439 1.892 0.898 1.00 1.00 C ATOM 1143 O THR A 73 -8.244 2.695 1.813 1.00 1.00 O ATOM 1144 CB THR A 73 -6.822 0.107 1.456 1.00 1.00 C ATOM 1145 OG1 THR A 73 -6.234 -0.948 0.685 1.00 1.00 O ATOM 1146 CG2 THR A 73 -6.599 -0.199 2.935 1.00 1.00 C ATOM 0 H THR A 73 -9.240 0.039 -0.708 1.00 1.00 H new ATOM 0 HA THR A 73 -8.942 0.087 1.999 1.00 1.00 H new ATOM 0 HB THR A 73 -6.325 1.035 1.172 1.00 1.00 H new ATOM 0 HG1 THR A 73 -5.293 -1.052 0.937 1.00 1.00 H new ATOM 0 HG21 THR A 73 -5.539 -0.383 3.113 1.00 1.00 H new ATOM 0 HG22 THR A 73 -6.926 0.650 3.536 1.00 1.00 H new ATOM 0 HG23 THR A 73 -7.172 -1.083 3.214 1.00 1.00 H new ATOM 1154 N ILE A 74 -8.599 2.282 -0.410 1.00 1.00 N ATOM 1155 CA ILE A 74 -8.563 3.697 -0.778 1.00 1.00 C ATOM 1156 C ILE A 74 -9.954 4.362 -0.703 1.00 1.00 C ATOM 1157 O ILE A 74 -10.086 5.577 -0.557 1.00 1.00 O ATOM 1158 CB ILE A 74 -7.850 3.847 -2.142 1.00 1.00 C ATOM 1159 CG1 ILE A 74 -6.834 5.003 -2.106 1.00 1.00 C ATOM 1160 CG2 ILE A 74 -8.803 4.019 -3.332 1.00 1.00 C ATOM 1161 CD1 ILE A 74 -5.612 4.712 -1.238 1.00 1.00 C ATOM 0 H ILE A 74 -8.748 1.640 -1.189 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.977 4.251 -0.045 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.330 2.903 -2.302 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -6.505 5.219 -3.122 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -7.329 5.900 -1.734 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -8.224 4.117 -4.250 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -9.454 3.148 -3.405 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -9.408 4.914 -3.187 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -4.939 5.569 -1.259 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -5.930 4.525 -0.212 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -5.093 3.834 -1.622 1.00 1.00 H new ATOM 1173 N GLY A 75 -11.020 3.527 -0.941 1.00 1.00 N ATOM 1174 CA GLY A 75 -12.396 3.974 -0.845 1.00 1.00 C ATOM 1175 C GLY A 75 -13.276 3.085 0.045 1.00 1.00 C ATOM 1176 O GLY A 75 -14.446 3.370 0.288 1.00 1.00 O ATOM 0 H GLY A 75 -10.920 2.545 -1.199 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -12.411 4.991 -0.454 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -12.827 4.010 -1.846 1.00 1.00 H new ATOM 1180 N GLY A 76 -12.688 1.928 0.497 1.00 1.00 N ATOM 1181 CA GLY A 76 -13.348 1.012 1.400 1.00 1.00 C ATOM 1182 C GLY A 76 -14.289 -0.022 0.771 1.00 1.00 C ATOM 1183 O GLY A 76 -14.737 -0.964 1.428 1.00 1.00 O ATOM 0 H GLY A 76 -11.749 1.636 0.228 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -12.582 0.477 1.961 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -13.920 1.598 2.120 1.00 1.00 H new ATOM 1187 N LYS A 77 -14.641 0.151 -0.546 1.00 1.00 N ATOM 1188 CA LYS A 77 -15.822 -0.496 -1.128 1.00 1.00 C ATOM 1189 C LYS A 77 -15.624 -1.933 -1.671 1.00 1.00 C ATOM 1190 O LYS A 77 -16.387 -2.450 -2.479 1.00 1.00 O ATOM 1191 CB LYS A 77 -16.492 0.441 -2.147 1.00 1.00 C ATOM 1192 CG LYS A 77 -15.838 0.421 -3.537 1.00 1.00 C ATOM 1193 CD LYS A 77 -16.007 1.739 -4.300 1.00 1.00 C ATOM 1194 CE LYS A 77 -15.066 2.857 -3.859 1.00 1.00 C ATOM 1195 NZ LYS A 77 -13.674 2.479 -4.087 1.00 1.00 N ATOM 0 H LYS A 77 -14.116 0.731 -1.201 1.00 1.00 H new ATOM 0 HA LYS A 77 -16.498 -0.663 -0.290 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -17.541 0.163 -2.246 1.00 1.00 H new ATOM 0 HB3 LYS A 77 -16.468 1.460 -1.760 1.00 1.00 H new ATOM 0 HG2 LYS A 77 -14.775 0.204 -3.429 1.00 1.00 H new ATOM 0 HG3 LYS A 77 -16.270 -0.390 -4.124 1.00 1.00 H new ATOM 0 HD2 LYS A 77 -15.852 1.550 -5.362 1.00 1.00 H new ATOM 0 HD3 LYS A 77 -17.035 2.081 -4.184 1.00 1.00 H new ATOM 0 HE2 LYS A 77 -15.295 3.770 -4.409 1.00 1.00 H new ATOM 0 HE3 LYS A 77 -15.221 3.074 -2.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 -13.116 3.328 -4.312 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 -13.291 2.030 -3.230 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 -13.622 1.810 -4.881 1.00 1.00 H new ATOM 1209 N LYS A 78 -14.593 -2.605 -1.058 1.00 1.00 N ATOM 1210 CA LYS A 78 -14.401 -4.055 -1.123 1.00 1.00 C ATOM 1211 C LYS A 78 -14.472 -4.631 -2.563 1.00 1.00 C ATOM 1212 O LYS A 78 -15.397 -5.331 -2.974 1.00 1.00 O ATOM 1213 CB LYS A 78 -15.397 -4.747 -0.183 1.00 1.00 C ATOM 1214 CG LYS A 78 -15.167 -6.255 -0.015 1.00 1.00 C ATOM 1215 CD LYS A 78 -16.273 -6.860 0.858 1.00 1.00 C ATOM 1216 CE LYS A 78 -16.427 -8.367 0.718 1.00 1.00 C ATOM 1217 NZ LYS A 78 -15.224 -9.073 1.161 1.00 1.00 N ATOM 0 H LYS A 78 -13.879 -2.130 -0.506 1.00 1.00 H new ATOM 0 HA LYS A 78 -13.384 -4.262 -0.790 1.00 1.00 H new ATOM 0 HB2 LYS A 78 -15.343 -4.272 0.797 1.00 1.00 H new ATOM 0 HB3 LYS A 78 -16.407 -4.586 -0.561 1.00 1.00 H new ATOM 0 HG2 LYS A 78 -15.156 -6.741 -0.991 1.00 1.00 H new ATOM 0 HG3 LYS A 78 -14.193 -6.434 0.441 1.00 1.00 H new ATOM 0 HD2 LYS A 78 -16.066 -6.623 1.902 1.00 1.00 H new ATOM 0 HD3 LYS A 78 -17.221 -6.385 0.605 1.00 1.00 H new ATOM 0 HE2 LYS A 78 -17.283 -8.702 1.304 1.00 1.00 H new ATOM 0 HE3 LYS A 78 -16.635 -8.617 -0.322 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 -14.846 -9.641 0.376 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 -14.508 -8.382 1.464 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 -15.462 -9.698 1.958 1.00 1.00 H new ATOM 1231 N PHE A 79 -13.386 -4.329 -3.350 1.00 1.00 N ATOM 1232 CA PHE A 79 -13.284 -4.872 -4.696 1.00 1.00 C ATOM 1233 C PHE A 79 -12.862 -6.361 -4.671 1.00 1.00 C ATOM 1234 O PHE A 79 -12.177 -6.866 -3.782 1.00 1.00 O ATOM 1235 CB PHE A 79 -12.234 -4.082 -5.500 1.00 1.00 C ATOM 1236 CG PHE A 79 -12.803 -3.307 -6.663 1.00 1.00 C ATOM 1237 CD1 PHE A 79 -13.895 -2.444 -6.498 1.00 1.00 C ATOM 1238 CD2 PHE A 79 -12.186 -3.390 -7.916 1.00 1.00 C ATOM 1239 CE1 PHE A 79 -14.382 -1.708 -7.579 1.00 1.00 C ATOM 1240 CE2 PHE A 79 -12.665 -2.643 -8.990 1.00 1.00 C ATOM 1241 CZ PHE A 79 -13.769 -1.809 -8.826 1.00 1.00 C ATOM 0 H PHE A 79 -12.610 -3.732 -3.064 1.00 1.00 H new ATOM 0 HA PHE A 79 -14.266 -4.788 -5.162 1.00 1.00 H new ATOM 0 HB2 PHE A 79 -11.725 -3.389 -4.830 1.00 1.00 H new ATOM 0 HB3 PHE A 79 -11.481 -4.776 -5.873 1.00 1.00 H new ATOM 0 HD1 PHE A 79 -14.362 -2.348 -5.529 1.00 1.00 H new ATOM 0 HD2 PHE A 79 -11.332 -4.038 -8.052 1.00 1.00 H new ATOM 0 HE1 PHE A 79 -15.235 -1.059 -7.449 1.00 1.00 H new ATOM 0 HE2 PHE A 79 -12.179 -2.711 -9.952 1.00 1.00 H new ATOM 0 HZ PHE A 79 -14.149 -1.242 -9.663 1.00 1.00 H new ATOM 1251 N LYS A 80 -13.250 -7.068 -5.797 1.00 1.00 N ATOM 1252 CA LYS A 80 -12.616 -8.334 -6.139 1.00 1.00 C ATOM 1253 C LYS A 80 -11.427 -8.003 -7.059 1.00 1.00 C ATOM 1254 O LYS A 80 -11.416 -7.019 -7.802 1.00 1.00 O ATOM 1255 CB LYS A 80 -13.561 -9.252 -6.930 1.00 1.00 C ATOM 1256 CG LYS A 80 -14.742 -9.813 -6.132 1.00 1.00 C ATOM 1257 CD LYS A 80 -14.375 -10.704 -4.940 1.00 1.00 C ATOM 1258 CE LYS A 80 -13.492 -11.893 -5.310 1.00 1.00 C ATOM 1259 NZ LYS A 80 -13.325 -12.774 -4.158 1.00 1.00 N ATOM 0 H LYS A 80 -13.979 -6.766 -6.444 1.00 1.00 H new ATOM 0 HA LYS A 80 -12.325 -8.844 -5.220 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -13.950 -8.697 -7.784 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -12.983 -10.086 -7.328 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -15.340 -8.978 -5.767 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -15.375 -10.386 -6.809 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -13.861 -10.101 -4.192 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -15.291 -11.073 -4.478 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -13.940 -12.444 -6.137 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -12.519 -11.540 -5.652 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -12.431 -13.298 -4.248 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -13.308 -12.207 -3.287 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -14.117 -13.446 -4.118 1.00 1.00 H new ATOM 1273 N ALA A 81 -10.435 -8.953 -7.078 1.00 1.00 N ATOM 1274 CA ALA A 81 -9.284 -8.814 -7.955 1.00 1.00 C ATOM 1275 C ALA A 81 -8.727 -10.206 -8.274 1.00 1.00 C ATOM 1276 O ALA A 81 -8.671 -11.095 -7.427 1.00 1.00 O ATOM 1277 CB ALA A 81 -8.197 -7.970 -7.311 1.00 1.00 C ATOM 0 H ALA A 81 -10.433 -9.794 -6.500 1.00 1.00 H new ATOM 0 HA ALA A 81 -9.604 -8.314 -8.869 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -7.350 -7.885 -7.992 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -8.589 -6.976 -7.094 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -7.871 -8.442 -6.384 1.00 1.00 H new ATOM 1283 N THR A 82 -8.284 -10.365 -9.568 1.00 1.00 N ATOM 1284 CA THR A 82 -7.478 -11.525 -9.980 1.00 1.00 C ATOM 1285 C THR A 82 -6.016 -11.093 -9.824 1.00 1.00 C ATOM 1286 O THR A 82 -5.544 -10.134 -10.439 1.00 1.00 O ATOM 1287 CB THR A 82 -7.765 -11.877 -11.448 1.00 1.00 C ATOM 1288 OG1 THR A 82 -9.174 -12.063 -11.637 1.00 1.00 O ATOM 1289 CG2 THR A 82 -7.064 -13.160 -11.876 1.00 1.00 C ATOM 0 H THR A 82 -8.479 -9.703 -10.319 1.00 1.00 H new ATOM 0 HA THR A 82 -7.708 -12.405 -9.380 1.00 1.00 H new ATOM 0 HB THR A 82 -7.391 -11.050 -12.052 1.00 1.00 H new ATOM 0 HG1 THR A 82 -9.352 -12.285 -12.575 1.00 1.00 H new ATOM 0 HG21 THR A 82 -7.295 -13.370 -12.920 1.00 1.00 H new ATOM 0 HG22 THR A 82 -5.987 -13.042 -11.759 1.00 1.00 H new ATOM 0 HG23 THR A 82 -7.408 -13.987 -11.255 1.00 1.00 H new ATOM 1297 N VAL A 83 -5.313 -11.769 -8.862 1.00 1.00 N ATOM 1298 CA VAL A 83 -3.927 -11.439 -8.566 1.00 1.00 C ATOM 1299 C VAL A 83 -3.052 -12.463 -9.309 1.00 1.00 C ATOM 1300 O VAL A 83 -3.307 -13.666 -9.361 1.00 1.00 O ATOM 1301 CB VAL A 83 -3.698 -11.449 -7.054 1.00 1.00 C ATOM 1302 CG1 VAL A 83 -2.228 -11.226 -6.716 1.00 1.00 C ATOM 1303 CG2 VAL A 83 -4.561 -10.377 -6.378 1.00 1.00 C ATOM 0 H VAL A 83 -5.697 -12.529 -8.301 1.00 1.00 H new ATOM 0 HA VAL A 83 -3.666 -10.436 -8.903 1.00 1.00 H new ATOM 0 HB VAL A 83 -3.988 -12.430 -6.678 1.00 1.00 H new ATOM 0 HG11 VAL A 83 -2.098 -11.238 -5.634 1.00 1.00 H new ATOM 0 HG12 VAL A 83 -1.628 -12.018 -7.163 1.00 1.00 H new ATOM 0 HG13 VAL A 83 -1.907 -10.262 -7.109 1.00 1.00 H new ATOM 0 HG21 VAL A 83 -4.388 -10.396 -5.302 1.00 1.00 H new ATOM 0 HG22 VAL A 83 -4.296 -9.395 -6.771 1.00 1.00 H new ATOM 0 HG23 VAL A 83 -5.613 -10.577 -6.580 1.00 1.00 H new ATOM 1313 N GLN A 84 -1.937 -11.934 -9.914 1.00 1.00 N ATOM 1314 CA GLN A 84 -1.215 -12.661 -10.940 1.00 1.00 C ATOM 1315 C GLN A 84 0.238 -12.151 -11.028 1.00 1.00 C ATOM 1316 O GLN A 84 0.658 -11.134 -10.482 1.00 1.00 O ATOM 1317 CB GLN A 84 -1.941 -12.541 -12.292 1.00 1.00 C ATOM 1318 CG GLN A 84 -2.749 -13.791 -12.634 1.00 1.00 C ATOM 1319 CD GLN A 84 -3.608 -13.584 -13.862 1.00 1.00 C ATOM 1320 OE1 GLN A 84 -3.937 -12.488 -14.301 1.00 1.00 O ATOM 1321 NE2 GLN A 84 -4.058 -14.737 -14.434 1.00 1.00 N ATOM 0 H GLN A 84 -1.547 -11.018 -9.692 1.00 1.00 H new ATOM 0 HA GLN A 84 -1.183 -13.718 -10.675 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -2.606 -11.678 -12.269 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -1.209 -12.359 -13.079 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -2.071 -14.628 -12.801 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -3.382 -14.058 -11.788 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -3.773 -15.640 -14.054 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -4.680 -14.697 -15.242 1.00 1.00 H new ATOM 1330 N MET A 85 1.039 -12.976 -11.778 1.00 1.00 N ATOM 1331 CA MET A 85 2.362 -12.578 -12.267 1.00 1.00 C ATOM 1332 C MET A 85 2.122 -12.322 -13.771 1.00 1.00 C ATOM 1333 O MET A 85 1.443 -13.102 -14.441 1.00 1.00 O ATOM 1334 CB MET A 85 3.327 -13.758 -12.073 1.00 1.00 C ATOM 1335 CG MET A 85 4.482 -13.450 -11.125 1.00 1.00 C ATOM 1336 SD MET A 85 5.800 -12.526 -11.972 1.00 1.00 S ATOM 1337 CE MET A 85 6.939 -12.359 -10.566 1.00 1.00 C ATOM 0 H MET A 85 0.770 -13.922 -12.047 1.00 1.00 H new ATOM 0 HA MET A 85 2.788 -11.713 -11.758 1.00 1.00 H new ATOM 0 HB2 MET A 85 2.770 -14.613 -11.689 1.00 1.00 H new ATOM 0 HB3 MET A 85 3.731 -14.050 -13.042 1.00 1.00 H new ATOM 0 HG2 MET A 85 4.116 -12.871 -10.277 1.00 1.00 H new ATOM 0 HG3 MET A 85 4.886 -14.380 -10.725 1.00 1.00 H new ATOM 0 HE1 MET A 85 7.828 -11.812 -10.881 1.00 1.00 H new ATOM 0 HE2 MET A 85 6.445 -11.816 -9.760 1.00 1.00 H new ATOM 0 HE3 MET A 85 7.229 -13.349 -10.213 1.00 1.00 H new ATOM 1347 N GLU A 86 2.686 -11.183 -14.273 1.00 1.00 N ATOM 1348 CA GLU A 86 2.572 -10.753 -15.674 1.00 1.00 C ATOM 1349 C GLU A 86 3.916 -11.006 -16.427 1.00 1.00 C ATOM 1350 O GLU A 86 4.085 -10.694 -17.604 1.00 1.00 O ATOM 1351 CB GLU A 86 2.173 -9.265 -15.735 1.00 1.00 C ATOM 1352 CG GLU A 86 0.968 -8.979 -16.636 1.00 1.00 C ATOM 1353 CD GLU A 86 0.732 -7.473 -16.726 1.00 1.00 C ATOM 1354 OE1 GLU A 86 1.660 -6.777 -17.209 1.00 1.00 O ATOM 1355 OE2 GLU A 86 -0.389 -7.048 -16.299 1.00 1.00 O ATOM 0 H GLU A 86 3.234 -10.542 -13.700 1.00 1.00 H new ATOM 0 HA GLU A 86 1.795 -11.337 -16.167 1.00 1.00 H new ATOM 0 HB2 GLU A 86 1.950 -8.918 -14.726 1.00 1.00 H new ATOM 0 HB3 GLU A 86 3.025 -8.685 -16.090 1.00 1.00 H new ATOM 0 HG2 GLU A 86 1.142 -9.389 -17.631 1.00 1.00 H new ATOM 0 HG3 GLU A 86 0.081 -9.472 -16.239 1.00 1.00 H new ATOM 1362 N GLY A 87 4.900 -11.640 -15.692 1.00 1.00 N ATOM 1363 CA GLY A 87 6.176 -12.041 -16.256 1.00 1.00 C ATOM 1364 C GLY A 87 7.307 -11.101 -15.808 1.00 1.00 C ATOM 1365 O GLY A 87 7.600 -10.071 -16.416 1.00 1.00 O ATOM 0 H GLY A 87 4.798 -11.870 -14.703 1.00 1.00 H new ATOM 0 HA2 GLY A 87 6.406 -13.062 -15.950 1.00 1.00 H new ATOM 0 HA3 GLY A 87 6.111 -12.042 -17.344 1.00 1.00 H new ATOM 1369 N GLY A 88 7.890 -11.466 -14.602 1.00 1.00 N ATOM 1370 CA GLY A 88 8.963 -10.685 -13.982 1.00 1.00 C ATOM 1371 C GLY A 88 8.486 -9.491 -13.140 1.00 1.00 C ATOM 1372 O GLY A 88 9.250 -8.625 -12.732 1.00 1.00 O ATOM 0 H GLY A 88 7.616 -12.292 -14.070 1.00 1.00 H new ATOM 0 HA2 GLY A 88 9.555 -11.346 -13.348 1.00 1.00 H new ATOM 0 HA3 GLY A 88 9.626 -10.318 -14.766 1.00 1.00 H new ATOM 1376 N LYS A 89 7.149 -9.525 -12.823 1.00 1.00 N ATOM 1377 CA LYS A 89 6.315 -8.328 -12.997 1.00 1.00 C ATOM 1378 C LYS A 89 4.983 -8.768 -12.380 1.00 1.00 C ATOM 1379 O LYS A 89 4.269 -9.624 -12.909 1.00 1.00 O ATOM 1380 CB LYS A 89 6.177 -8.094 -14.505 1.00 1.00 C ATOM 1381 CG LYS A 89 5.307 -6.937 -14.968 1.00 1.00 C ATOM 1382 CD LYS A 89 5.066 -6.969 -16.491 1.00 1.00 C ATOM 1383 CE LYS A 89 6.163 -6.489 -17.428 1.00 1.00 C ATOM 1384 NZ LYS A 89 7.418 -7.231 -17.270 1.00 1.00 N ATOM 0 H LYS A 89 6.660 -10.343 -12.461 1.00 1.00 H new ATOM 0 HA LYS A 89 6.694 -7.410 -12.549 1.00 1.00 H new ATOM 0 HB2 LYS A 89 7.177 -7.945 -14.913 1.00 1.00 H new ATOM 0 HB3 LYS A 89 5.784 -9.008 -14.951 1.00 1.00 H new ATOM 0 HG2 LYS A 89 4.349 -6.973 -14.449 1.00 1.00 H new ATOM 0 HG3 LYS A 89 5.782 -5.995 -14.696 1.00 1.00 H new ATOM 0 HD2 LYS A 89 4.829 -7.997 -16.764 1.00 1.00 H new ATOM 0 HD3 LYS A 89 4.177 -6.372 -16.695 1.00 1.00 H new ATOM 0 HE2 LYS A 89 5.820 -6.582 -18.458 1.00 1.00 H new ATOM 0 HE3 LYS A 89 6.349 -5.430 -17.249 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 7.971 -7.169 -18.149 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 7.966 -6.823 -16.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 7.208 -8.228 -17.063 1.00 1.00 H new ATOM 1398 N VAL A 90 4.736 -8.299 -11.117 1.00 1.00 N ATOM 1399 CA VAL A 90 3.544 -8.728 -10.382 1.00 1.00 C ATOM 1400 C VAL A 90 2.371 -7.867 -10.888 1.00 1.00 C ATOM 1401 O VAL A 90 2.539 -6.743 -11.366 1.00 1.00 O ATOM 1402 CB VAL A 90 3.754 -8.563 -8.867 1.00 1.00 C ATOM 1403 CG1 VAL A 90 2.553 -9.014 -8.036 1.00 1.00 C ATOM 1404 CG2 VAL A 90 4.996 -9.313 -8.375 1.00 1.00 C ATOM 0 H VAL A 90 5.337 -7.645 -10.616 1.00 1.00 H new ATOM 0 HA VAL A 90 3.336 -9.784 -10.552 1.00 1.00 H new ATOM 0 HB VAL A 90 3.888 -7.491 -8.723 1.00 1.00 H new ATOM 0 HG11 VAL A 90 2.769 -8.870 -6.977 1.00 1.00 H new ATOM 0 HG12 VAL A 90 1.678 -8.425 -8.311 1.00 1.00 H new ATOM 0 HG13 VAL A 90 2.355 -10.069 -8.226 1.00 1.00 H new ATOM 0 HG21 VAL A 90 5.106 -9.169 -7.300 1.00 1.00 H new ATOM 0 HG22 VAL A 90 4.888 -10.376 -8.590 1.00 1.00 H new ATOM 0 HG23 VAL A 90 5.879 -8.928 -8.885 1.00 1.00 H new ATOM 1414 N VAL A 91 1.120 -8.417 -10.716 1.00 1.00 N ATOM 1415 CA VAL A 91 -0.081 -7.718 -11.145 1.00 1.00 C ATOM 1416 C VAL A 91 -1.298 -8.067 -10.255 1.00 1.00 C ATOM 1417 O VAL A 91 -1.568 -9.205 -9.877 1.00 1.00 O ATOM 1418 CB VAL A 91 -0.382 -7.945 -12.644 1.00 1.00 C ATOM 1419 CG1 VAL A 91 -0.461 -9.420 -13.021 1.00 1.00 C ATOM 1420 CG2 VAL A 91 -1.666 -7.260 -13.101 1.00 1.00 C ATOM 0 H VAL A 91 0.950 -9.327 -10.288 1.00 1.00 H new ATOM 0 HA VAL A 91 0.113 -6.653 -11.020 1.00 1.00 H new ATOM 0 HB VAL A 91 0.467 -7.494 -13.158 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -0.675 -9.512 -14.086 1.00 1.00 H new ATOM 0 HG12 VAL A 91 0.490 -9.904 -12.798 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -1.255 -9.900 -12.449 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -1.825 -7.455 -14.162 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -2.509 -7.649 -12.530 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -1.583 -6.185 -12.938 1.00 1.00 H new ATOM 1430 N VAL A 92 -2.094 -6.979 -9.980 1.00 1.00 N ATOM 1431 CA VAL A 92 -3.450 -7.068 -9.446 1.00 1.00 C ATOM 1432 C VAL A 92 -4.340 -6.562 -10.614 1.00 1.00 C ATOM 1433 O VAL A 92 -4.338 -5.384 -10.982 1.00 1.00 O ATOM 1434 CB VAL A 92 -3.584 -6.172 -8.195 1.00 1.00 C ATOM 1435 CG1 VAL A 92 -4.992 -6.242 -7.602 1.00 1.00 C ATOM 1436 CG2 VAL A 92 -2.563 -6.547 -7.112 1.00 1.00 C ATOM 0 H VAL A 92 -1.785 -6.019 -10.133 1.00 1.00 H new ATOM 0 HA VAL A 92 -3.729 -8.072 -9.126 1.00 1.00 H new ATOM 0 HB VAL A 92 -3.386 -5.153 -8.527 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -5.049 -5.599 -6.724 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -5.717 -5.907 -8.344 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -5.215 -7.270 -7.315 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -2.691 -5.893 -6.249 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -2.718 -7.582 -6.809 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -1.554 -6.432 -7.508 1.00 1.00 H new ATOM 1446 N ASN A 93 -4.997 -7.549 -11.316 1.00 1.00 N ATOM 1447 CA ASN A 93 -6.016 -7.249 -12.334 1.00 1.00 C ATOM 1448 C ASN A 93 -7.386 -7.304 -11.625 1.00 1.00 C ATOM 1449 O ASN A 93 -7.591 -8.015 -10.638 1.00 1.00 O ATOM 1450 CB ASN A 93 -5.983 -8.299 -13.437 1.00 1.00 C ATOM 1451 CG ASN A 93 -6.876 -7.906 -14.584 1.00 1.00 C ATOM 1452 OD1 ASN A 93 -6.774 -6.831 -15.168 1.00 1.00 O ATOM 1453 ND2 ASN A 93 -7.807 -8.827 -14.950 1.00 1.00 N ATOM 0 H ASN A 93 -4.826 -8.545 -11.181 1.00 1.00 H new ATOM 0 HA ASN A 93 -5.834 -6.273 -12.783 1.00 1.00 H new ATOM 0 HB2 ASN A 93 -4.961 -8.424 -13.794 1.00 1.00 H new ATOM 0 HB3 ASN A 93 -6.301 -9.262 -13.037 1.00 1.00 H new ATOM 0 HD21 ASN A 93 -8.440 -8.632 -15.725 1.00 1.00 H new ATOM 0 HD22 ASN A 93 -7.872 -9.713 -14.449 1.00 1.00 H new ATOM 1460 N SER A 94 -8.394 -6.569 -12.194 1.00 1.00 N ATOM 1461 CA SER A 94 -9.641 -6.331 -11.454 1.00 1.00 C ATOM 1462 C SER A 94 -10.703 -5.715 -12.391 1.00 1.00 C ATOM 1463 O SER A 94 -10.394 -5.301 -13.513 1.00 1.00 O ATOM 1464 CB SER A 94 -9.401 -5.423 -10.227 1.00 1.00 C ATOM 1465 OG SER A 94 -8.159 -4.713 -10.285 1.00 1.00 O ATOM 0 H SER A 94 -8.356 -6.154 -13.125 1.00 1.00 H new ATOM 0 HA SER A 94 -10.009 -7.289 -11.087 1.00 1.00 H new ATOM 0 HB2 SER A 94 -10.218 -4.706 -10.148 1.00 1.00 H new ATOM 0 HB3 SER A 94 -9.422 -6.032 -9.323 1.00 1.00 H new ATOM 0 HG SER A 94 -8.039 -4.336 -11.182 1.00 1.00 H new ATOM 1471 N PRO A 95 -11.997 -5.603 -11.924 1.00 1.00 N ATOM 1472 CA PRO A 95 -13.067 -5.039 -12.765 1.00 1.00 C ATOM 1473 C PRO A 95 -12.778 -3.571 -13.139 1.00 1.00 C ATOM 1474 O PRO A 95 -12.807 -2.646 -12.332 1.00 1.00 O ATOM 1475 CB PRO A 95 -14.322 -5.146 -11.892 1.00 1.00 C ATOM 1476 CG PRO A 95 -14.038 -6.352 -11.010 1.00 1.00 C ATOM 1477 CD PRO A 95 -12.551 -6.227 -10.727 1.00 1.00 C ATOM 0 HA PRO A 95 -13.167 -5.566 -13.714 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -14.478 -4.244 -11.301 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -15.219 -5.291 -12.494 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -14.627 -6.329 -10.093 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -14.275 -7.287 -11.517 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -12.366 -5.619 -9.842 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -12.100 -7.202 -10.544 1.00 1.00 H new ATOM 1485 N ASN A 96 -12.339 -3.397 -14.435 1.00 1.00 N ATOM 1486 CA ASN A 96 -12.107 -2.075 -15.023 1.00 1.00 C ATOM 1487 C ASN A 96 -10.913 -1.370 -14.347 1.00 1.00 C ATOM 1488 O ASN A 96 -10.782 -0.146 -14.301 1.00 1.00 O ATOM 1489 CB ASN A 96 -13.348 -1.181 -15.057 1.00 1.00 C ATOM 1490 CG ASN A 96 -14.453 -1.822 -15.860 1.00 1.00 C ATOM 1491 OD1 ASN A 96 -14.341 -2.890 -16.453 1.00 1.00 O ATOM 1492 ND2 ASN A 96 -15.624 -1.127 -15.871 1.00 1.00 N ATOM 0 H ASN A 96 -12.146 -4.171 -15.071 1.00 1.00 H new ATOM 0 HA ASN A 96 -11.857 -2.253 -16.069 1.00 1.00 H new ATOM 0 HB2 ASN A 96 -13.694 -0.994 -14.040 1.00 1.00 H new ATOM 0 HB3 ASN A 96 -13.092 -0.214 -15.490 1.00 1.00 H new ATOM 0 HD21 ASN A 96 -16.429 -1.493 -16.379 1.00 1.00 H new ATOM 0 HD22 ASN A 96 -15.696 -0.241 -15.371 1.00 1.00 H new ATOM 1499 N TYR A 97 -9.912 -2.224 -13.918 1.00 1.00 N ATOM 1500 CA TYR A 97 -8.831 -1.729 -13.069 1.00 1.00 C ATOM 1501 C TYR A 97 -7.680 -2.747 -13.119 1.00 1.00 C ATOM 1502 O TYR A 97 -7.851 -3.953 -12.927 1.00 1.00 O ATOM 1503 CB TYR A 97 -9.318 -1.570 -11.618 1.00 1.00 C ATOM 1504 CG TYR A 97 -8.362 -0.787 -10.754 1.00 1.00 C ATOM 1505 CD1 TYR A 97 -7.298 -1.415 -10.094 1.00 1.00 C ATOM 1506 CD2 TYR A 97 -8.523 0.595 -10.625 1.00 1.00 C ATOM 1507 CE1 TYR A 97 -6.396 -0.674 -9.332 1.00 1.00 C ATOM 1508 CE2 TYR A 97 -7.634 1.331 -9.848 1.00 1.00 C ATOM 1509 CZ TYR A 97 -6.569 0.697 -9.220 1.00 1.00 C ATOM 1510 OH TYR A 97 -5.712 1.458 -8.483 1.00 1.00 O ATOM 0 H TYR A 97 -9.857 -3.215 -14.152 1.00 1.00 H new ATOM 0 HA TYR A 97 -8.497 -0.755 -13.426 1.00 1.00 H new ATOM 0 HB2 TYR A 97 -10.288 -1.072 -11.619 1.00 1.00 H new ATOM 0 HB3 TYR A 97 -9.467 -2.557 -11.181 1.00 1.00 H new ATOM 0 HD1 TYR A 97 -7.175 -2.485 -10.176 1.00 1.00 H new ATOM 0 HD2 TYR A 97 -9.338 1.092 -11.129 1.00 1.00 H new ATOM 0 HE1 TYR A 97 -5.571 -1.163 -8.834 1.00 1.00 H new ATOM 0 HE2 TYR A 97 -7.772 2.396 -9.733 1.00 1.00 H new ATOM 0 HH TYR A 97 -5.527 2.295 -8.958 1.00 1.00 H new ATOM 1520 N HIS A 98 -6.433 -2.227 -13.357 1.00 1.00 N ATOM 1521 CA HIS A 98 -5.250 -3.081 -13.513 1.00 1.00 C ATOM 1522 C HIS A 98 -4.084 -2.318 -12.872 1.00 1.00 C ATOM 1523 O HIS A 98 -3.905 -1.119 -13.086 1.00 1.00 O ATOM 1524 CB HIS A 98 -5.008 -3.337 -15.004 1.00 1.00 C ATOM 1525 CG HIS A 98 -4.041 -4.416 -15.357 1.00 1.00 C ATOM 1526 ND1 HIS A 98 -4.504 -5.639 -15.885 1.00 1.00 N ATOM 1527 CD2 HIS A 98 -2.612 -4.414 -15.369 1.00 1.00 C ATOM 1528 CE1 HIS A 98 -3.368 -6.357 -16.235 1.00 1.00 C ATOM 1529 NE2 HIS A 98 -2.218 -5.616 -15.927 1.00 1.00 N ATOM 0 H HIS A 98 -6.242 -1.229 -13.441 1.00 1.00 H new ATOM 0 HA HIS A 98 -5.369 -4.053 -13.035 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -5.966 -3.576 -15.467 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -4.659 -2.408 -15.455 1.00 1.00 H new ATOM 0 HD1 HIS A 98 -5.474 -5.935 -15.989 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -1.965 -3.626 -15.012 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -3.370 -7.341 -16.679 1.00 1.00 H new ATOM 1538 N HIS A 99 -3.257 -3.068 -12.071 1.00 1.00 N ATOM 1539 CA HIS A 99 -2.135 -2.472 -11.330 1.00 1.00 C ATOM 1540 C HIS A 99 -0.988 -3.484 -11.362 1.00 1.00 C ATOM 1541 O HIS A 99 -1.093 -4.583 -10.819 1.00 1.00 O ATOM 1542 CB HIS A 99 -2.522 -2.156 -9.881 1.00 1.00 C ATOM 1543 CG HIS A 99 -1.420 -1.587 -9.054 1.00 1.00 C ATOM 1544 ND1 HIS A 99 -1.341 -0.213 -8.767 1.00 1.00 N ATOM 1545 CD2 HIS A 99 -0.349 -2.263 -8.392 1.00 1.00 C ATOM 1546 CE1 HIS A 99 -0.230 -0.059 -7.944 1.00 1.00 C ATOM 1547 NE2 HIS A 99 0.370 -1.299 -7.722 1.00 1.00 N ATOM 0 H HIS A 99 -3.360 -4.074 -11.935 1.00 1.00 H new ATOM 0 HA HIS A 99 -1.844 -1.528 -11.791 1.00 1.00 H new ATOM 0 HB2 HIS A 99 -3.355 -1.453 -9.886 1.00 1.00 H new ATOM 0 HB3 HIS A 99 -2.880 -3.070 -9.407 1.00 1.00 H new ATOM 0 HD2 HIS A 99 -0.144 -3.323 -8.413 1.00 1.00 H new ATOM 0 HE1 HIS A 99 0.116 0.880 -7.538 1.00 1.00 H new ATOM 0 HE2 HIS A 99 1.203 -1.464 -7.157 1.00 1.00 H new ATOM 1556 N THR A 100 0.103 -3.105 -12.100 1.00 1.00 N ATOM 1557 CA THR A 100 1.350 -3.875 -12.142 1.00 1.00 C ATOM 1558 C THR A 100 2.382 -3.306 -11.141 1.00 1.00 C ATOM 1559 O THR A 100 2.334 -2.156 -10.698 1.00 1.00 O ATOM 1560 CB THR A 100 1.988 -3.878 -13.548 1.00 1.00 C ATOM 1561 OG1 THR A 100 1.943 -2.561 -14.106 1.00 1.00 O ATOM 1562 CG2 THR A 100 1.262 -4.818 -14.494 1.00 1.00 C ATOM 0 H THR A 100 0.124 -2.261 -12.672 1.00 1.00 H new ATOM 0 HA THR A 100 1.086 -4.898 -11.873 1.00 1.00 H new ATOM 0 HB THR A 100 3.018 -4.216 -13.434 1.00 1.00 H new ATOM 0 HG1 THR A 100 2.351 -2.569 -14.997 1.00 1.00 H new ATOM 0 HG21 THR A 100 1.741 -4.791 -15.473 1.00 1.00 H new ATOM 0 HG22 THR A 100 1.300 -5.833 -14.099 1.00 1.00 H new ATOM 0 HG23 THR A 100 0.222 -4.505 -14.591 1.00 1.00 H new ATOM 1570 N ALA A 101 3.392 -4.191 -10.833 1.00 1.00 N ATOM 1571 CA ALA A 101 4.667 -3.793 -10.251 1.00 1.00 C ATOM 1572 C ALA A 101 5.805 -4.429 -11.077 1.00 1.00 C ATOM 1573 O ALA A 101 5.637 -5.482 -11.695 1.00 1.00 O ATOM 1574 CB ALA A 101 4.774 -4.217 -8.798 1.00 1.00 C ATOM 0 H ALA A 101 3.316 -5.195 -10.993 1.00 1.00 H new ATOM 0 HA ALA A 101 4.743 -2.706 -10.277 1.00 1.00 H new ATOM 0 HB1 ALA A 101 5.738 -3.903 -8.397 1.00 1.00 H new ATOM 0 HB2 ALA A 101 3.973 -3.751 -8.223 1.00 1.00 H new ATOM 0 HB3 ALA A 101 4.688 -5.301 -8.728 1.00 1.00 H new ATOM 1580 N GLU A 102 7.003 -3.762 -11.012 1.00 1.00 N ATOM 1581 CA GLU A 102 8.150 -4.037 -11.889 1.00 1.00 C ATOM 1582 C GLU A 102 9.461 -3.763 -11.119 1.00 1.00 C ATOM 1583 O GLU A 102 9.509 -2.959 -10.183 1.00 1.00 O ATOM 1584 CB GLU A 102 8.122 -3.100 -13.119 1.00 1.00 C ATOM 1585 CG GLU A 102 7.828 -3.822 -14.428 1.00 1.00 C ATOM 1586 CD GLU A 102 8.797 -4.957 -14.747 1.00 1.00 C ATOM 1587 OE1 GLU A 102 9.820 -5.040 -14.024 1.00 1.00 O ATOM 1588 OE2 GLU A 102 8.430 -5.717 -15.692 1.00 1.00 O ATOM 0 H GLU A 102 7.182 -3.017 -10.339 1.00 1.00 H new ATOM 0 HA GLU A 102 8.096 -5.077 -12.210 1.00 1.00 H new ATOM 0 HB2 GLU A 102 7.368 -2.329 -12.961 1.00 1.00 H new ATOM 0 HB3 GLU A 102 9.083 -2.593 -13.201 1.00 1.00 H new ATOM 0 HG2 GLU A 102 6.815 -4.224 -14.389 1.00 1.00 H new ATOM 0 HG3 GLU A 102 7.853 -3.098 -15.243 1.00 1.00 H new ATOM 1595 N ILE A 103 10.562 -4.432 -11.597 1.00 1.00 N ATOM 1596 CA ILE A 103 11.922 -4.224 -11.112 1.00 1.00 C ATOM 1597 C ILE A 103 12.792 -3.765 -12.311 1.00 1.00 C ATOM 1598 O ILE A 103 13.254 -4.538 -13.150 1.00 1.00 O ATOM 1599 CB ILE A 103 12.514 -5.516 -10.485 1.00 1.00 C ATOM 1600 CG1 ILE A 103 11.676 -6.035 -9.298 1.00 1.00 C ATOM 1601 CG2 ILE A 103 13.979 -5.317 -10.057 1.00 1.00 C ATOM 1602 CD1 ILE A 103 11.808 -5.224 -8.015 1.00 1.00 C ATOM 0 H ILE A 103 10.502 -5.132 -12.337 1.00 1.00 H new ATOM 0 HA ILE A 103 11.911 -3.467 -10.328 1.00 1.00 H new ATOM 0 HB ILE A 103 12.481 -6.275 -11.267 1.00 1.00 H new ATOM 0 HG12 ILE A 103 10.627 -6.052 -9.593 1.00 1.00 H new ATOM 0 HG13 ILE A 103 11.966 -7.065 -9.091 1.00 1.00 H new ATOM 0 HG21 ILE A 103 14.360 -6.241 -9.623 1.00 1.00 H new ATOM 0 HG22 ILE A 103 14.579 -5.050 -10.927 1.00 1.00 H new ATOM 0 HG23 ILE A 103 14.037 -4.518 -9.318 1.00 1.00 H new ATOM 0 HD11 ILE A 103 11.183 -5.666 -7.239 1.00 1.00 H new ATOM 0 HD12 ILE A 103 12.848 -5.227 -7.688 1.00 1.00 H new ATOM 0 HD13 ILE A 103 11.488 -4.198 -8.198 1.00 1.00 H new ATOM 1614 N VAL A 104 13.004 -2.397 -12.373 1.00 1.00 N ATOM 1615 CA VAL A 104 14.103 -1.874 -13.198 1.00 1.00 C ATOM 1616 C VAL A 104 15.371 -1.984 -12.287 1.00 1.00 C ATOM 1617 O VAL A 104 15.380 -2.708 -11.288 1.00 1.00 O ATOM 1618 CB VAL A 104 13.822 -0.433 -13.699 1.00 1.00 C ATOM 1619 CG1 VAL A 104 14.353 -0.237 -15.127 1.00 1.00 C ATOM 1620 CG2 VAL A 104 12.334 -0.065 -13.699 1.00 1.00 C ATOM 0 H VAL A 104 12.450 -1.694 -11.883 1.00 1.00 H new ATOM 0 HA VAL A 104 14.236 -2.440 -14.120 1.00 1.00 H new ATOM 0 HB VAL A 104 14.338 0.219 -12.994 1.00 1.00 H new ATOM 0 HG11 VAL A 104 14.144 0.781 -15.456 1.00 1.00 H new ATOM 0 HG12 VAL A 104 15.429 -0.410 -15.142 1.00 1.00 H new ATOM 0 HG13 VAL A 104 13.863 -0.943 -15.798 1.00 1.00 H new ATOM 0 HG21 VAL A 104 12.212 0.956 -14.061 1.00 1.00 H new ATOM 0 HG22 VAL A 104 11.790 -0.749 -14.351 1.00 1.00 H new ATOM 0 HG23 VAL A 104 11.941 -0.140 -12.685 1.00 1.00 H new ATOM 1630 N ASP A 105 16.478 -1.235 -12.621 1.00 1.00 N ATOM 1631 CA ASP A 105 17.823 -1.487 -12.022 1.00 1.00 C ATOM 1632 C ASP A 105 17.838 -1.187 -10.490 1.00 1.00 C ATOM 1633 O ASP A 105 18.148 -0.107 -9.986 1.00 1.00 O ATOM 1634 CB ASP A 105 18.842 -0.612 -12.739 1.00 1.00 C ATOM 1635 CG ASP A 105 20.253 -0.895 -12.237 1.00 1.00 C ATOM 1636 OD1 ASP A 105 20.421 -2.001 -11.652 1.00 1.00 O ATOM 1637 OD2 ASP A 105 21.086 0.017 -12.494 1.00 1.00 O ATOM 0 H ASP A 105 16.458 -0.466 -13.291 1.00 1.00 H new ATOM 0 HA ASP A 105 18.073 -2.541 -12.145 1.00 1.00 H new ATOM 0 HB2 ASP A 105 18.791 -0.793 -13.813 1.00 1.00 H new ATOM 0 HB3 ASP A 105 18.600 0.439 -12.581 1.00 1.00 H new ATOM 1642 N GLY A 106 17.268 -2.199 -9.733 1.00 1.00 N ATOM 1643 CA GLY A 106 17.027 -2.066 -8.315 1.00 1.00 C ATOM 1644 C GLY A 106 15.950 -1.035 -7.928 1.00 1.00 C ATOM 1645 O GLY A 106 15.676 -0.774 -6.752 1.00 1.00 O ATOM 0 H GLY A 106 16.982 -3.098 -10.120 1.00 1.00 H new ATOM 0 HA2 GLY A 106 16.735 -3.039 -7.919 1.00 1.00 H new ATOM 0 HA3 GLY A 106 17.962 -1.791 -7.828 1.00 1.00 H new ATOM 1649 N LYS A 107 15.310 -0.444 -8.995 1.00 1.00 N ATOM 1650 CA LYS A 107 14.184 0.448 -8.845 1.00 1.00 C ATOM 1651 C LYS A 107 12.940 -0.448 -8.944 1.00 1.00 C ATOM 1652 O LYS A 107 12.763 -1.211 -9.890 1.00 1.00 O ATOM 1653 CB LYS A 107 14.096 1.501 -9.959 1.00 1.00 C ATOM 1654 CG LYS A 107 15.393 2.244 -10.293 1.00 1.00 C ATOM 1655 CD LYS A 107 15.996 3.084 -9.169 1.00 1.00 C ATOM 1656 CE LYS A 107 15.096 4.236 -8.749 1.00 1.00 C ATOM 1657 NZ LYS A 107 15.871 5.181 -7.935 1.00 1.00 N ATOM 0 H LYS A 107 15.587 -0.595 -9.965 1.00 1.00 H new ATOM 0 HA LYS A 107 14.276 0.990 -7.904 1.00 1.00 H new ATOM 0 HB2 LYS A 107 13.739 1.012 -10.865 1.00 1.00 H new ATOM 0 HB3 LYS A 107 13.343 2.237 -9.676 1.00 1.00 H new ATOM 0 HG2 LYS A 107 16.136 1.512 -10.610 1.00 1.00 H new ATOM 0 HG3 LYS A 107 15.205 2.897 -11.145 1.00 1.00 H new ATOM 0 HD2 LYS A 107 16.188 2.445 -8.307 1.00 1.00 H new ATOM 0 HD3 LYS A 107 16.958 3.480 -9.493 1.00 1.00 H new ATOM 0 HE2 LYS A 107 14.694 4.739 -9.629 1.00 1.00 H new ATOM 0 HE3 LYS A 107 14.245 3.860 -8.181 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 15.222 5.803 -7.412 1.00 1.00 H new ATOM 0 HZ2 LYS A 107 16.464 4.655 -7.262 1.00 1.00 H new ATOM 0 HZ3 LYS A 107 16.478 5.756 -8.554 1.00 1.00 H new ATOM 1671 N LEU A 108 12.068 -0.338 -7.890 1.00 1.00 N ATOM 1672 CA LEU A 108 10.765 -1.006 -7.913 1.00 1.00 C ATOM 1673 C LEU A 108 9.790 0.034 -8.495 1.00 1.00 C ATOM 1674 O LEU A 108 9.473 1.053 -7.876 1.00 1.00 O ATOM 1675 CB LEU A 108 10.371 -1.371 -6.479 1.00 1.00 C ATOM 1676 CG LEU A 108 8.971 -1.986 -6.304 1.00 1.00 C ATOM 1677 CD1 LEU A 108 8.961 -3.460 -6.687 1.00 1.00 C ATOM 1678 CD2 LEU A 108 8.521 -1.836 -4.849 1.00 1.00 C ATOM 0 H LEU A 108 12.257 0.198 -7.043 1.00 1.00 H new ATOM 0 HA LEU A 108 10.766 -1.923 -8.502 1.00 1.00 H new ATOM 0 HB2 LEU A 108 11.107 -2.073 -6.088 1.00 1.00 H new ATOM 0 HB3 LEU A 108 10.431 -0.472 -5.866 1.00 1.00 H new ATOM 0 HG LEU A 108 8.284 -1.456 -6.964 1.00 1.00 H new ATOM 0 HD11 LEU A 108 7.958 -3.864 -6.552 1.00 1.00 H new ATOM 0 HD12 LEU A 108 9.258 -3.567 -7.730 1.00 1.00 H new ATOM 0 HD13 LEU A 108 9.660 -4.005 -6.053 1.00 1.00 H new ATOM 0 HD21 LEU A 108 7.529 -2.272 -4.728 1.00 1.00 H new ATOM 0 HD22 LEU A 108 9.226 -2.350 -4.195 1.00 1.00 H new ATOM 0 HD23 LEU A 108 8.487 -0.779 -4.586 1.00 1.00 H new ATOM 1690 N VAL A 109 9.409 -0.193 -9.793 1.00 1.00 N ATOM 1691 CA VAL A 109 8.395 0.636 -10.446 1.00 1.00 C ATOM 1692 C VAL A 109 7.020 -0.026 -10.221 1.00 1.00 C ATOM 1693 O VAL A 109 6.871 -1.240 -10.080 1.00 1.00 O ATOM 1694 CB VAL A 109 8.749 0.836 -11.936 1.00 1.00 C ATOM 1695 CG1 VAL A 109 7.587 1.277 -12.831 1.00 1.00 C ATOM 1696 CG2 VAL A 109 9.876 1.871 -12.053 1.00 1.00 C ATOM 0 H VAL A 109 9.793 -0.934 -10.380 1.00 1.00 H new ATOM 0 HA VAL A 109 8.360 1.637 -10.015 1.00 1.00 H new ATOM 0 HB VAL A 109 9.049 -0.148 -12.295 1.00 1.00 H new ATOM 0 HG11 VAL A 109 7.940 1.389 -13.856 1.00 1.00 H new ATOM 0 HG12 VAL A 109 6.798 0.526 -12.799 1.00 1.00 H new ATOM 0 HG13 VAL A 109 7.196 2.230 -12.476 1.00 1.00 H new ATOM 0 HG21 VAL A 109 10.130 2.016 -13.103 1.00 1.00 H new ATOM 0 HG22 VAL A 109 9.546 2.818 -11.626 1.00 1.00 H new ATOM 0 HG23 VAL A 109 10.754 1.516 -11.513 1.00 1.00 H new ATOM 1706 N GLU A 110 5.966 0.851 -10.240 1.00 1.00 N ATOM 1707 CA GLU A 110 4.577 0.427 -10.265 1.00 1.00 C ATOM 1708 C GLU A 110 3.831 1.226 -11.345 1.00 1.00 C ATOM 1709 O GLU A 110 4.187 2.352 -11.698 1.00 1.00 O ATOM 1710 CB GLU A 110 3.887 0.655 -8.921 1.00 1.00 C ATOM 1711 CG GLU A 110 4.167 -0.452 -7.913 1.00 1.00 C ATOM 1712 CD GLU A 110 3.232 -0.248 -6.746 1.00 1.00 C ATOM 1713 OE1 GLU A 110 3.221 0.884 -6.186 1.00 1.00 O ATOM 1714 OE2 GLU A 110 2.440 -1.209 -6.507 1.00 1.00 O ATOM 0 H GLU A 110 6.084 1.864 -10.238 1.00 1.00 H new ATOM 0 HA GLU A 110 4.556 -0.641 -10.481 1.00 1.00 H new ATOM 0 HB2 GLU A 110 4.216 1.608 -8.507 1.00 1.00 H new ATOM 0 HB3 GLU A 110 2.811 0.731 -9.079 1.00 1.00 H new ATOM 0 HG2 GLU A 110 4.009 -1.431 -8.365 1.00 1.00 H new ATOM 0 HG3 GLU A 110 5.205 -0.417 -7.583 1.00 1.00 H new ATOM 1721 N VAL A 111 2.697 0.610 -11.823 1.00 1.00 N ATOM 1722 CA VAL A 111 1.755 1.279 -12.716 1.00 1.00 C ATOM 1723 C VAL A 111 0.349 0.834 -12.281 1.00 1.00 C ATOM 1724 O VAL A 111 0.079 -0.353 -12.097 1.00 1.00 O ATOM 1725 CB VAL A 111 1.965 0.930 -14.207 1.00 1.00 C ATOM 1726 CG1 VAL A 111 0.986 1.701 -15.103 1.00 1.00 C ATOM 1727 CG2 VAL A 111 3.398 1.182 -14.676 1.00 1.00 C ATOM 0 H VAL A 111 2.437 -0.348 -11.590 1.00 1.00 H new ATOM 0 HA VAL A 111 1.903 2.356 -12.638 1.00 1.00 H new ATOM 0 HB VAL A 111 1.769 -0.139 -14.296 1.00 1.00 H new ATOM 0 HG11 VAL A 111 1.159 1.434 -16.145 1.00 1.00 H new ATOM 0 HG12 VAL A 111 -0.037 1.445 -14.828 1.00 1.00 H new ATOM 0 HG13 VAL A 111 1.140 2.772 -14.973 1.00 1.00 H new ATOM 0 HG21 VAL A 111 3.487 0.920 -15.730 1.00 1.00 H new ATOM 0 HG22 VAL A 111 3.645 2.235 -14.542 1.00 1.00 H new ATOM 0 HG23 VAL A 111 4.085 0.571 -14.091 1.00 1.00 H new ATOM 1737 N SER A 112 -0.578 1.840 -12.140 1.00 1.00 N ATOM 1738 CA SER A 112 -2.009 1.565 -12.182 1.00 1.00 C ATOM 1739 C SER A 112 -2.595 2.117 -13.489 1.00 1.00 C ATOM 1740 O SER A 112 -2.139 3.120 -14.040 1.00 1.00 O ATOM 1741 CB SER A 112 -2.775 2.210 -11.027 1.00 1.00 C ATOM 1742 OG SER A 112 -2.068 2.108 -9.792 1.00 1.00 O ATOM 0 H SER A 112 -0.339 2.822 -12.000 1.00 1.00 H new ATOM 0 HA SER A 112 -2.119 0.483 -12.107 1.00 1.00 H new ATOM 0 HB2 SER A 112 -2.957 3.260 -11.255 1.00 1.00 H new ATOM 0 HB3 SER A 112 -3.750 1.732 -10.927 1.00 1.00 H new ATOM 0 HG SER A 112 -2.223 1.224 -9.398 1.00 1.00 H new ATOM 1748 N THR A 113 -3.738 1.475 -13.904 1.00 1.00 N ATOM 1749 CA THR A 113 -4.456 1.845 -15.128 1.00 1.00 C ATOM 1750 C THR A 113 -5.954 1.651 -14.819 1.00 1.00 C ATOM 1751 O THR A 113 -6.392 0.605 -14.336 1.00 1.00 O ATOM 1752 CB THR A 113 -4.031 0.974 -16.330 1.00 1.00 C ATOM 1753 OG1 THR A 113 -2.625 1.136 -16.567 1.00 1.00 O ATOM 1754 CG2 THR A 113 -4.782 1.330 -17.609 1.00 1.00 C ATOM 0 H THR A 113 -4.164 0.702 -13.393 1.00 1.00 H new ATOM 0 HA THR A 113 -4.230 2.874 -15.408 1.00 1.00 H new ATOM 0 HB THR A 113 -4.272 -0.058 -16.075 1.00 1.00 H new ATOM 0 HG1 THR A 113 -2.356 0.582 -17.329 1.00 1.00 H new ATOM 0 HG21 THR A 113 -4.443 0.687 -18.421 1.00 1.00 H new ATOM 0 HG22 THR A 113 -5.852 1.187 -17.455 1.00 1.00 H new ATOM 0 HG23 THR A 113 -4.589 2.371 -17.867 1.00 1.00 H new ATOM 1762 N VAL A 114 -6.739 2.741 -15.118 1.00 1.00 N ATOM 1763 CA VAL A 114 -8.170 2.868 -14.776 1.00 1.00 C ATOM 1764 C VAL A 114 -8.947 3.195 -16.069 1.00 1.00 C ATOM 1765 O VAL A 114 -9.821 4.053 -16.172 1.00 1.00 O ATOM 1766 CB VAL A 114 -8.358 3.874 -13.621 1.00 1.00 C ATOM 1767 CG1 VAL A 114 -8.039 5.324 -13.994 1.00 1.00 C ATOM 1768 CG2 VAL A 114 -9.736 3.819 -12.970 1.00 1.00 C ATOM 0 H VAL A 114 -6.375 3.557 -15.610 1.00 1.00 H new ATOM 0 HA VAL A 114 -8.582 1.935 -14.391 1.00 1.00 H new ATOM 0 HB VAL A 114 -7.619 3.540 -12.893 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -8.197 5.966 -13.127 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -7.000 5.397 -14.315 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -8.693 5.643 -14.805 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -9.789 4.555 -12.168 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -10.500 4.039 -13.716 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -9.905 2.823 -12.560 1.00 1.00 H new ATOM 1778 N GLY A 115 -8.613 2.375 -17.126 1.00 1.00 N ATOM 1779 CA GLY A 115 -9.301 2.454 -18.398 1.00 1.00 C ATOM 1780 C GLY A 115 -8.757 3.626 -19.217 1.00 1.00 C ATOM 1781 O GLY A 115 -7.912 3.479 -20.095 1.00 1.00 O ATOM 0 H GLY A 115 -7.876 1.671 -17.089 1.00 1.00 H new ATOM 0 HA2 GLY A 115 -9.170 1.523 -18.950 1.00 1.00 H new ATOM 0 HA3 GLY A 115 -10.371 2.580 -18.234 1.00 1.00 H new ATOM 1785 N GLY A 116 -9.252 4.852 -18.836 1.00 1.00 N ATOM 1786 CA GLY A 116 -8.956 6.071 -19.568 1.00 1.00 C ATOM 1787 C GLY A 116 -7.792 6.920 -19.044 1.00 1.00 C ATOM 1788 O GLY A 116 -7.515 8.003 -19.558 1.00 1.00 O ATOM 0 H GLY A 116 -9.854 4.990 -18.024 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -8.744 5.804 -20.603 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -9.853 6.690 -19.576 1.00 1.00 H new ATOM 1792 N VAL A 117 -7.123 6.430 -17.950 1.00 1.00 N ATOM 1793 CA VAL A 117 -5.967 7.103 -17.356 1.00 1.00 C ATOM 1794 C VAL A 117 -4.988 6.001 -16.866 1.00 1.00 C ATOM 1795 O VAL A 117 -5.390 4.926 -16.408 1.00 1.00 O ATOM 1796 CB VAL A 117 -6.416 8.031 -16.201 1.00 1.00 C ATOM 1797 CG1 VAL A 117 -5.262 8.497 -15.323 1.00 1.00 C ATOM 1798 CG2 VAL A 117 -7.125 9.280 -16.722 1.00 1.00 C ATOM 0 H VAL A 117 -7.384 5.565 -17.476 1.00 1.00 H new ATOM 0 HA VAL A 117 -5.466 7.738 -18.087 1.00 1.00 H new ATOM 0 HB VAL A 117 -7.096 7.421 -15.606 1.00 1.00 H new ATOM 0 HG11 VAL A 117 -5.644 9.144 -14.533 1.00 1.00 H new ATOM 0 HG12 VAL A 117 -4.771 7.632 -14.878 1.00 1.00 H new ATOM 0 HG13 VAL A 117 -4.544 9.050 -15.929 1.00 1.00 H new ATOM 0 HG21 VAL A 117 -7.425 9.906 -15.881 1.00 1.00 H new ATOM 0 HG22 VAL A 117 -6.448 9.840 -17.368 1.00 1.00 H new ATOM 0 HG23 VAL A 117 -8.009 8.987 -17.289 1.00 1.00 H new ATOM 1808 N SER A 118 -3.652 6.342 -16.926 1.00 1.00 N ATOM 1809 CA SER A 118 -2.589 5.572 -16.265 1.00 1.00 C ATOM 1810 C SER A 118 -1.975 6.409 -15.121 1.00 1.00 C ATOM 1811 O SER A 118 -2.188 7.612 -14.960 1.00 1.00 O ATOM 1812 CB SER A 118 -1.489 5.115 -17.229 1.00 1.00 C ATOM 1813 OG SER A 118 -0.818 6.229 -17.814 1.00 1.00 O ATOM 0 H SER A 118 -3.309 7.156 -17.436 1.00 1.00 H new ATOM 0 HA SER A 118 -3.050 4.668 -15.867 1.00 1.00 H new ATOM 0 HB2 SER A 118 -0.770 4.494 -16.695 1.00 1.00 H new ATOM 0 HB3 SER A 118 -1.924 4.496 -18.014 1.00 1.00 H new ATOM 0 HG SER A 118 0.033 6.377 -17.352 1.00 1.00 H new ATOM 1819 N TYR A 119 -1.170 5.696 -14.268 1.00 1.00 N ATOM 1820 CA TYR A 119 -0.598 6.279 -13.051 1.00 1.00 C ATOM 1821 C TYR A 119 0.601 5.407 -12.696 1.00 1.00 C ATOM 1822 O TYR A 119 0.469 4.300 -12.176 1.00 1.00 O ATOM 1823 CB TYR A 119 -1.662 6.289 -11.948 1.00 1.00 C ATOM 1824 CG TYR A 119 -1.282 6.342 -10.488 1.00 1.00 C ATOM 1825 CD1 TYR A 119 -0.149 6.977 -9.971 1.00 1.00 C ATOM 1826 CD2 TYR A 119 -2.165 5.724 -9.585 1.00 1.00 C ATOM 1827 CE1 TYR A 119 0.094 6.947 -8.591 1.00 1.00 C ATOM 1828 CE2 TYR A 119 -1.934 5.710 -8.218 1.00 1.00 C ATOM 1829 CZ TYR A 119 -0.798 6.317 -7.729 1.00 1.00 C ATOM 1830 OH TYR A 119 -0.622 6.263 -6.381 1.00 1.00 O ATOM 0 H TYR A 119 -0.915 4.720 -14.419 1.00 1.00 H new ATOM 0 HA TYR A 119 -0.278 7.313 -13.182 1.00 1.00 H new ATOM 0 HB2 TYR A 119 -2.308 7.146 -12.139 1.00 1.00 H new ATOM 0 HB3 TYR A 119 -2.270 5.394 -12.085 1.00 1.00 H new ATOM 0 HD1 TYR A 119 0.536 7.488 -10.632 1.00 1.00 H new ATOM 0 HD2 TYR A 119 -3.053 5.244 -9.969 1.00 1.00 H new ATOM 0 HE1 TYR A 119 0.981 7.417 -8.193 1.00 1.00 H new ATOM 0 HE2 TYR A 119 -2.633 5.231 -7.548 1.00 1.00 H new ATOM 0 HH TYR A 119 -0.247 7.112 -6.066 1.00 1.00 H new ATOM 1840 N GLU A 120 1.805 5.917 -13.115 1.00 1.00 N ATOM 1841 CA GLU A 120 3.067 5.247 -12.879 1.00 1.00 C ATOM 1842 C GLU A 120 3.732 5.862 -11.622 1.00 1.00 C ATOM 1843 O GLU A 120 3.535 7.015 -11.237 1.00 1.00 O ATOM 1844 CB GLU A 120 4.018 5.310 -14.084 1.00 1.00 C ATOM 1845 CG GLU A 120 3.350 5.033 -15.437 1.00 1.00 C ATOM 1846 CD GLU A 120 2.442 6.134 -15.967 1.00 1.00 C ATOM 1847 OE1 GLU A 120 2.588 7.280 -15.436 1.00 1.00 O ATOM 1848 OE2 GLU A 120 1.636 5.818 -16.880 1.00 1.00 O ATOM 0 H GLU A 120 1.895 6.799 -13.619 1.00 1.00 H new ATOM 0 HA GLU A 120 2.859 4.189 -12.719 1.00 1.00 H new ATOM 0 HB2 GLU A 120 4.479 6.297 -14.116 1.00 1.00 H new ATOM 0 HB3 GLU A 120 4.821 4.588 -13.935 1.00 1.00 H new ATOM 0 HG2 GLU A 120 4.131 4.846 -16.174 1.00 1.00 H new ATOM 0 HG3 GLU A 120 2.766 4.117 -15.351 1.00 1.00 H new ATOM 1855 N ARG A 121 4.614 5.012 -10.998 1.00 1.00 N ATOM 1856 CA ARG A 121 5.172 5.271 -9.674 1.00 1.00 C ATOM 1857 C ARG A 121 6.550 4.590 -9.622 1.00 1.00 C ATOM 1858 O ARG A 121 6.768 3.510 -10.172 1.00 1.00 O ATOM 1859 CB ARG A 121 4.209 4.745 -8.601 1.00 1.00 C ATOM 1860 CG ARG A 121 4.821 4.683 -7.202 1.00 1.00 C ATOM 1861 CD ARG A 121 3.768 4.735 -6.108 1.00 1.00 C ATOM 1862 NE ARG A 121 3.240 3.451 -5.702 1.00 1.00 N ATOM 1863 CZ ARG A 121 2.452 3.317 -4.623 1.00 1.00 C ATOM 1864 NH1 ARG A 121 2.083 4.334 -3.847 1.00 1.00 N ATOM 1865 NH2 ARG A 121 2.043 2.098 -4.288 1.00 1.00 N ATOM 0 H ARG A 121 4.940 4.141 -11.417 1.00 1.00 H new ATOM 0 HA ARG A 121 5.298 6.336 -9.482 1.00 1.00 H new ATOM 0 HB2 ARG A 121 3.326 5.384 -8.574 1.00 1.00 H new ATOM 0 HB3 ARG A 121 3.872 3.748 -8.885 1.00 1.00 H new ATOM 0 HG2 ARG A 121 5.400 3.765 -7.102 1.00 1.00 H new ATOM 0 HG3 ARG A 121 5.515 5.514 -7.075 1.00 1.00 H new ATOM 0 HD2 ARG A 121 4.198 5.226 -5.235 1.00 1.00 H new ATOM 0 HD3 ARG A 121 2.942 5.358 -6.450 1.00 1.00 H new ATOM 0 HE ARG A 121 3.473 2.624 -6.251 1.00 1.00 H new ATOM 0 HH11 ARG A 121 2.401 5.279 -4.060 1.00 1.00 H new ATOM 0 HH12 ARG A 121 1.482 4.168 -3.040 1.00 1.00 H new ATOM 0 HH21 ARG A 121 2.328 1.293 -4.846 1.00 1.00 H new ATOM 0 HH22 ARG A 121 1.444 1.967 -3.473 1.00 1.00 H new ATOM 1879 N VAL A 122 7.516 5.268 -8.910 1.00 1.00 N ATOM 1880 CA VAL A 122 8.904 4.814 -8.872 1.00 1.00 C ATOM 1881 C VAL A 122 9.340 4.712 -7.394 1.00 1.00 C ATOM 1882 O VAL A 122 9.134 5.617 -6.583 1.00 1.00 O ATOM 1883 CB VAL A 122 9.834 5.805 -9.618 1.00 1.00 C ATOM 1884 CG1 VAL A 122 11.277 5.286 -9.679 1.00 1.00 C ATOM 1885 CG2 VAL A 122 9.346 6.097 -11.041 1.00 1.00 C ATOM 0 H VAL A 122 7.336 6.115 -8.371 1.00 1.00 H new ATOM 0 HA VAL A 122 8.978 3.845 -9.365 1.00 1.00 H new ATOM 0 HB VAL A 122 9.808 6.732 -9.044 1.00 1.00 H new ATOM 0 HG11 VAL A 122 11.901 6.006 -10.209 1.00 1.00 H new ATOM 0 HG12 VAL A 122 11.658 5.151 -8.667 1.00 1.00 H new ATOM 0 HG13 VAL A 122 11.298 4.331 -10.205 1.00 1.00 H new ATOM 0 HG21 VAL A 122 10.029 6.796 -11.524 1.00 1.00 H new ATOM 0 HG22 VAL A 122 9.313 5.169 -11.612 1.00 1.00 H new ATOM 0 HG23 VAL A 122 8.348 6.534 -11.001 1.00 1.00 H new ATOM 1895 N SER A 123 10.059 3.581 -7.080 1.00 1.00 N ATOM 1896 CA SER A 123 10.563 3.305 -5.736 1.00 1.00 C ATOM 1897 C SER A 123 11.973 2.703 -5.827 1.00 1.00 C ATOM 1898 O SER A 123 12.437 2.223 -6.862 1.00 1.00 O ATOM 1899 CB SER A 123 9.667 2.338 -4.930 1.00 1.00 C ATOM 1900 OG SER A 123 8.370 2.165 -5.492 1.00 1.00 O ATOM 0 H SER A 123 10.290 2.858 -7.762 1.00 1.00 H new ATOM 0 HA SER A 123 10.571 4.259 -5.210 1.00 1.00 H new ATOM 0 HB2 SER A 123 10.159 1.367 -4.866 1.00 1.00 H new ATOM 0 HB3 SER A 123 9.566 2.712 -3.911 1.00 1.00 H new ATOM 0 HG SER A 123 8.451 1.769 -6.385 1.00 1.00 H new ATOM 1906 N LYS A 124 12.659 2.679 -4.636 1.00 1.00 N ATOM 1907 CA LYS A 124 13.963 2.045 -4.482 1.00 1.00 C ATOM 1908 C LYS A 124 14.037 1.365 -3.106 1.00 1.00 C ATOM 1909 O LYS A 124 13.235 1.600 -2.202 1.00 1.00 O ATOM 1910 CB LYS A 124 15.142 2.989 -4.755 1.00 1.00 C ATOM 1911 CG LYS A 124 15.017 4.398 -4.167 1.00 1.00 C ATOM 1912 CD LYS A 124 15.060 4.458 -2.640 1.00 1.00 C ATOM 1913 CE LYS A 124 14.874 5.864 -2.085 1.00 1.00 C ATOM 1914 NZ LYS A 124 13.571 6.392 -2.467 1.00 1.00 N ATOM 0 H LYS A 124 12.304 3.102 -3.778 1.00 1.00 H new ATOM 0 HA LYS A 124 14.061 1.280 -5.253 1.00 1.00 H new ATOM 0 HB2 LYS A 124 16.049 2.530 -4.361 1.00 1.00 H new ATOM 0 HB3 LYS A 124 15.271 3.076 -5.834 1.00 1.00 H new ATOM 0 HG2 LYS A 124 15.822 5.016 -4.564 1.00 1.00 H new ATOM 0 HG3 LYS A 124 14.080 4.838 -4.508 1.00 1.00 H new ATOM 0 HD2 LYS A 124 14.282 3.810 -2.236 1.00 1.00 H new ATOM 0 HD3 LYS A 124 16.015 4.062 -2.295 1.00 1.00 H new ATOM 0 HE2 LYS A 124 14.963 5.848 -0.999 1.00 1.00 H new ATOM 0 HE3 LYS A 124 15.662 6.517 -2.460 1.00 1.00 H new ATOM 0 HZ1 LYS A 124 13.153 6.901 -1.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 124 13.682 7.044 -3.269 1.00 1.00 H new ATOM 0 HZ3 LYS A 124 12.946 5.608 -2.743 1.00 1.00 H new ATOM 1928 N LYS A 125 15.047 0.444 -2.990 1.00 1.00 N ATOM 1929 CA LYS A 125 15.132 -0.485 -1.866 1.00 1.00 C ATOM 1930 C LYS A 125 15.878 0.173 -0.686 1.00 1.00 C ATOM 1931 O LYS A 125 16.919 0.807 -0.829 1.00 1.00 O ATOM 1932 CB LYS A 125 15.883 -1.742 -2.343 1.00 1.00 C ATOM 1933 CG LYS A 125 15.592 -3.019 -1.553 1.00 1.00 C ATOM 1934 CD LYS A 125 16.323 -4.216 -2.190 1.00 1.00 C ATOM 1935 CE LYS A 125 15.838 -5.567 -1.677 1.00 1.00 C ATOM 1936 NZ LYS A 125 14.804 -6.125 -2.562 1.00 1.00 N ATOM 0 H LYS A 125 15.800 0.344 -3.671 1.00 1.00 H new ATOM 0 HA LYS A 125 14.133 -0.754 -1.522 1.00 1.00 H new ATOM 0 HB2 LYS A 125 15.634 -1.918 -3.390 1.00 1.00 H new ATOM 0 HB3 LYS A 125 16.954 -1.544 -2.299 1.00 1.00 H new ATOM 0 HG2 LYS A 125 15.912 -2.896 -0.518 1.00 1.00 H new ATOM 0 HG3 LYS A 125 14.519 -3.207 -1.534 1.00 1.00 H new ATOM 0 HD2 LYS A 125 16.192 -4.178 -3.271 1.00 1.00 H new ATOM 0 HD3 LYS A 125 17.392 -4.125 -1.995 1.00 1.00 H new ATOM 0 HE2 LYS A 125 16.678 -6.258 -1.612 1.00 1.00 H new ATOM 0 HE3 LYS A 125 15.438 -5.455 -0.669 1.00 1.00 H new ATOM 0 HZ1 LYS A 125 14.301 -6.890 -2.069 1.00 1.00 H new ATOM 0 HZ2 LYS A 125 14.129 -5.378 -2.821 1.00 1.00 H new ATOM 0 HZ3 LYS A 125 15.250 -6.502 -3.422 1.00 1.00 H new ATOM 1950 N LEU A 126 15.327 -0.071 0.554 1.00 1.00 N ATOM 1951 CA LEU A 126 15.972 0.319 1.813 1.00 1.00 C ATOM 1952 C LEU A 126 16.641 -0.915 2.453 1.00 1.00 C ATOM 1953 O LEU A 126 16.568 -1.210 3.641 1.00 1.00 O ATOM 1954 CB LEU A 126 14.994 0.955 2.796 1.00 1.00 C ATOM 1955 CG LEU A 126 14.375 2.283 2.338 1.00 1.00 C ATOM 1956 CD1 LEU A 126 13.582 2.865 3.510 1.00 1.00 C ATOM 1957 CD2 LEU A 126 15.419 3.288 1.850 1.00 1.00 C ATOM 0 H LEU A 126 14.431 -0.541 0.682 1.00 1.00 H new ATOM 0 HA LEU A 126 16.724 1.073 1.579 1.00 1.00 H new ATOM 0 HB2 LEU A 126 14.189 0.246 2.992 1.00 1.00 H new ATOM 0 HB3 LEU A 126 15.511 1.121 3.741 1.00 1.00 H new ATOM 0 HG LEU A 126 13.725 2.086 1.485 1.00 1.00 H new ATOM 0 HD11 LEU A 126 13.131 3.811 3.210 1.00 1.00 H new ATOM 0 HD12 LEU A 126 12.798 2.166 3.802 1.00 1.00 H new ATOM 0 HD13 LEU A 126 14.251 3.033 4.354 1.00 1.00 H new ATOM 0 HD21 LEU A 126 14.922 4.207 1.539 1.00 1.00 H new ATOM 0 HD22 LEU A 126 16.117 3.508 2.657 1.00 1.00 H new ATOM 0 HD23 LEU A 126 15.963 2.866 1.005 1.00 1.00 H new ATOM 1969 N ALA A 127 17.428 -1.602 1.565 1.00 1.00 N ATOM 1970 CA ALA A 127 18.333 -2.673 1.948 1.00 1.00 C ATOM 1971 C ALA A 127 19.317 -2.884 0.802 1.00 0.00 C ATOM 1972 O ALA A 127 19.068 -2.706 -0.382 1.00 0.00 O ATOM 1973 CB ALA A 127 17.564 -3.960 2.183 1.00 1.00 C ATOM 1974 OXT ALA A 127 20.514 -3.344 1.207 1.00 0.00 O ATOM 0 H ALA A 127 17.433 -1.407 0.564 1.00 1.00 H new ATOM 0 HA ALA A 127 18.851 -2.406 2.869 1.00 1.00 H new ATOM 0 HB1 ALA A 127 18.257 -4.751 2.469 1.00 1.00 H new ATOM 0 HB2 ALA A 127 16.837 -3.809 2.981 1.00 1.00 H new ATOM 0 HB3 ALA A 127 17.045 -4.246 1.268 1.00 1.00 H new