USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 939 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 102 THR OG1 : rot -52:sc= 0.549 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.494 K(o=1,f=0.2) USER MOD Set 2.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 89 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Set 3.2: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 81 THR OG1 : rot -113:sc= 0.588 USER MOD Set 4.2: A 93 THR OG1 : rot 80:sc= 0.532 USER MOD Set 5.1: A 47 HIS : no HD1:sc= 0 X(o=0.91,f=0.91) USER MOD Set 5.2: A 64 THR OG1 : rot 92:sc= 0.336 USER MOD Set 5.3: A 69 CYS SG : rot 63:sc= 0.573 USER MOD Set 6.1: A 30 GLN : amide:sc= 0.0186 X(o=0.036,f=-0.04) USER MOD Set 6.2: A 33 LYS NZ :NH3+ -104:sc= 0.0175 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0339 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.18) USER MOD Single : A 14 ASN : amide:sc= -0.0864 X(o=-0.086,f=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.582) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=9.2e-05) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 94:sc= 0.169 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0.251 (180deg=0.249) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc=-0.00375 F(o=-0.62,f=-0.0037) USER MOD Single : A 94 THR OG1 : rot 39:sc= 0.0925 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -160:sc= 0.0047 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 12 N PHE A 3 9.506 -9.154 -1.775 1.00 0.00 N ATOM 13 CA PHE A 3 8.277 -8.524 -1.201 1.00 0.00 C ATOM 14 C PHE A 3 8.244 -8.251 0.331 1.00 0.00 C ATOM 15 O PHE A 3 7.625 -7.258 0.722 1.00 0.00 O ATOM 16 CB PHE A 3 6.932 -9.114 -1.725 1.00 0.00 C ATOM 17 CG PHE A 3 6.620 -8.824 -3.202 1.00 0.00 C ATOM 18 CD1 PHE A 3 6.147 -7.562 -3.583 1.00 0.00 C ATOM 19 CD2 PHE A 3 6.805 -9.811 -4.175 1.00 0.00 C ATOM 20 CE1 PHE A 3 5.859 -7.295 -4.919 1.00 0.00 C ATOM 21 CE2 PHE A 3 6.515 -9.541 -5.509 1.00 0.00 C ATOM 22 CZ PHE A 3 6.034 -8.288 -5.877 1.00 0.00 C ATOM 0 HA PHE A 3 8.376 -7.525 -1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 3 6.946 -10.194 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.119 -8.720 -1.115 1.00 0.00 H new ATOM 0 HD1 PHE A 3 6.005 -6.793 -2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.174 -10.785 -3.891 1.00 0.00 H new ATOM 0 HE1 PHE A 3 5.500 -6.319 -5.211 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.663 -10.304 -6.259 1.00 0.00 H new ATOM 0 HZ PHE A 3 5.796 -8.086 -6.911 1.00 0.00 H new ATOM 32 N SER A 4 8.888 -9.072 1.188 1.00 0.00 N ATOM 33 CA SER A 4 8.931 -8.844 2.656 1.00 0.00 C ATOM 34 C SER A 4 9.857 -7.643 3.005 1.00 0.00 C ATOM 35 O SER A 4 11.087 -7.756 2.944 1.00 0.00 O ATOM 36 CB SER A 4 9.387 -10.133 3.377 1.00 0.00 C ATOM 37 OG SER A 4 8.446 -11.187 3.199 1.00 0.00 O ATOM 0 H SER A 4 9.391 -9.907 0.888 1.00 0.00 H new ATOM 0 HA SER A 4 7.928 -8.593 3.002 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.359 -10.442 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.514 -9.932 4.441 1.00 0.00 H new ATOM 0 HG SER A 4 8.762 -11.990 3.664 1.00 0.00 H new ATOM 43 N GLY A 5 9.244 -6.491 3.326 1.00 0.00 N ATOM 44 CA GLY A 5 9.999 -5.242 3.551 1.00 0.00 C ATOM 45 C GLY A 5 9.109 -4.042 3.930 1.00 0.00 C ATOM 46 O GLY A 5 7.970 -3.900 3.471 1.00 0.00 O ATOM 0 H GLY A 5 8.234 -6.397 3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.729 -5.407 4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.558 -4.998 2.648 1.00 0.00 H new ATOM 50 N LYS A 6 9.701 -3.144 4.732 1.00 0.00 N ATOM 51 CA LYS A 6 9.108 -1.823 5.070 1.00 0.00 C ATOM 52 C LYS A 6 9.637 -0.787 4.044 1.00 0.00 C ATOM 53 O LYS A 6 10.847 -0.560 3.967 1.00 0.00 O ATOM 54 CB LYS A 6 9.523 -1.408 6.509 1.00 0.00 C ATOM 55 CG LYS A 6 8.831 -2.192 7.648 1.00 0.00 C ATOM 56 CD LYS A 6 9.351 -1.868 9.063 1.00 0.00 C ATOM 57 CE LYS A 6 9.016 -0.448 9.565 1.00 0.00 C ATOM 58 NZ LYS A 6 9.500 -0.241 10.940 1.00 0.00 N ATOM 0 H LYS A 6 10.608 -3.306 5.170 1.00 0.00 H new ATOM 0 HA LYS A 6 8.020 -1.873 5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.601 -1.531 6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.310 -0.347 6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.761 -1.987 7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.957 -3.259 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.935 -2.593 9.763 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.433 -1.997 9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.468 0.291 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.938 -0.292 9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.261 0.722 11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.050 -0.931 11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.532 -0.367 10.967 1.00 0.00 H new ATOM 72 N TYR A 7 8.736 -0.185 3.251 1.00 0.00 N ATOM 73 CA TYR A 7 9.121 0.711 2.125 1.00 0.00 C ATOM 74 C TYR A 7 8.582 2.134 2.433 1.00 0.00 C ATOM 75 O TYR A 7 7.381 2.379 2.289 1.00 0.00 O ATOM 76 CB TYR A 7 8.577 0.173 0.767 1.00 0.00 C ATOM 77 CG TYR A 7 9.078 -1.205 0.286 1.00 0.00 C ATOM 78 CD1 TYR A 7 10.250 -1.314 -0.474 1.00 0.00 C ATOM 79 CD2 TYR A 7 8.317 -2.354 0.534 1.00 0.00 C ATOM 80 CE1 TYR A 7 10.650 -2.550 -0.975 1.00 0.00 C ATOM 81 CE2 TYR A 7 8.716 -3.588 0.031 1.00 0.00 C ATOM 82 CZ TYR A 7 9.881 -3.686 -0.729 1.00 0.00 C ATOM 83 OH TYR A 7 10.252 -4.899 -1.251 1.00 0.00 O ATOM 0 H TYR A 7 7.728 -0.297 3.362 1.00 0.00 H new ATOM 0 HA TYR A 7 10.206 0.745 2.031 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.490 0.129 0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.818 0.905 -0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 7 10.846 -0.435 -0.672 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.413 -2.282 1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.558 -2.629 -1.555 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.124 -4.469 0.229 1.00 0.00 H new ATOM 0 HH TYR A 7 9.605 -5.583 -0.980 1.00 0.00 H new ATOM 93 N GLN A 8 9.458 3.076 2.843 1.00 0.00 N ATOM 94 CA GLN A 8 9.044 4.468 3.174 1.00 0.00 C ATOM 95 C GLN A 8 9.026 5.375 1.913 1.00 0.00 C ATOM 96 O GLN A 8 9.911 5.312 1.058 1.00 0.00 O ATOM 97 CB GLN A 8 9.926 5.033 4.315 1.00 0.00 C ATOM 98 CG GLN A 8 9.441 6.397 4.865 1.00 0.00 C ATOM 99 CD GLN A 8 10.107 6.822 6.180 1.00 0.00 C ATOM 100 OE1 GLN A 8 11.322 7.000 6.262 1.00 0.00 O ATOM 101 NE2 GLN A 8 9.318 7.016 7.223 1.00 0.00 N ATOM 0 H GLN A 8 10.457 2.904 2.955 1.00 0.00 H new ATOM 0 HA GLN A 8 8.017 4.451 3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.953 4.312 5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.948 5.141 3.952 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.626 7.165 4.113 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.362 6.352 5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.313 6.864 7.138 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.714 7.318 8.113 1.00 0.00 H new ATOM 110 N LEU A 9 7.998 6.239 1.844 1.00 0.00 N ATOM 111 CA LEU A 9 7.676 7.048 0.642 1.00 0.00 C ATOM 112 C LEU A 9 8.760 8.108 0.298 1.00 0.00 C ATOM 113 O LEU A 9 9.287 8.798 1.173 1.00 0.00 O ATOM 114 CB LEU A 9 6.298 7.714 0.901 1.00 0.00 C ATOM 115 CG LEU A 9 5.591 8.388 -0.306 1.00 0.00 C ATOM 116 CD1 LEU A 9 5.043 7.345 -1.293 1.00 0.00 C ATOM 117 CD2 LEU A 9 4.478 9.325 0.206 1.00 0.00 C ATOM 0 H LEU A 9 7.360 6.401 2.623 1.00 0.00 H new ATOM 0 HA LEU A 9 7.645 6.395 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.627 6.955 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.429 8.467 1.678 1.00 0.00 H new ATOM 0 HG LEU A 9 6.323 8.981 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.555 7.853 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.864 6.735 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.321 6.706 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.982 9.798 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.750 8.748 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.914 10.092 0.846 1.00 0.00 H new ATOM 129 N GLN A 10 9.059 8.208 -1.003 1.00 0.00 N ATOM 130 CA GLN A 10 10.084 9.133 -1.549 1.00 0.00 C ATOM 131 C GLN A 10 9.402 10.178 -2.475 1.00 0.00 C ATOM 132 O GLN A 10 9.396 11.367 -2.145 1.00 0.00 O ATOM 133 CB GLN A 10 11.204 8.334 -2.266 1.00 0.00 C ATOM 134 CG GLN A 10 11.891 7.223 -1.447 1.00 0.00 C ATOM 135 CD GLN A 10 12.671 7.674 -0.198 1.00 0.00 C ATOM 136 OE1 GLN A 10 12.248 7.437 0.934 1.00 0.00 O ATOM 137 NE2 GLN A 10 13.813 8.320 -0.369 1.00 0.00 N ATOM 0 H GLN A 10 8.597 7.648 -1.720 1.00 0.00 H new ATOM 0 HA GLN A 10 10.563 9.680 -0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.780 7.883 -3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.969 9.038 -2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.129 6.509 -1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.578 6.689 -2.104 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.155 8.511 -1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.352 8.627 0.441 1.00 0.00 H new ATOM 146 N SER A 11 8.830 9.725 -3.611 1.00 0.00 N ATOM 147 CA SER A 11 8.045 10.577 -4.540 1.00 0.00 C ATOM 148 C SER A 11 6.669 9.929 -4.790 1.00 0.00 C ATOM 149 O SER A 11 6.568 8.714 -4.998 1.00 0.00 O ATOM 150 CB SER A 11 8.778 10.807 -5.878 1.00 0.00 C ATOM 151 OG SER A 11 9.216 9.601 -6.495 1.00 0.00 O ATOM 0 H SER A 11 8.898 8.753 -3.914 1.00 0.00 H new ATOM 0 HA SER A 11 7.917 11.554 -4.073 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.114 11.336 -6.562 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.639 11.453 -5.706 1.00 0.00 H new ATOM 0 HG SER A 11 9.671 9.811 -7.337 1.00 0.00 H new ATOM 157 N GLN A 12 5.616 10.768 -4.791 1.00 0.00 N ATOM 158 CA GLN A 12 4.227 10.291 -4.978 1.00 0.00 C ATOM 159 C GLN A 12 3.523 11.179 -6.034 1.00 0.00 C ATOM 160 O GLN A 12 3.090 12.302 -5.756 1.00 0.00 O ATOM 161 CB GLN A 12 3.504 10.259 -3.609 1.00 0.00 C ATOM 162 CG GLN A 12 2.241 9.373 -3.570 1.00 0.00 C ATOM 163 CD GLN A 12 1.644 9.252 -2.155 1.00 0.00 C ATOM 164 OE1 GLN A 12 1.411 10.248 -1.468 1.00 0.00 O ATOM 165 NE2 GLN A 12 1.382 8.044 -1.682 1.00 0.00 N ATOM 0 H GLN A 12 5.697 11.777 -4.665 1.00 0.00 H new ATOM 0 HA GLN A 12 4.207 9.271 -5.361 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.204 9.905 -2.852 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.226 11.277 -3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.490 9.788 -4.243 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.488 8.379 -3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.575 7.220 -2.252 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.987 7.937 -0.748 1.00 0.00 H new ATOM 174 N GLU A 13 3.424 10.634 -7.253 1.00 0.00 N ATOM 175 CA GLU A 13 2.839 11.309 -8.428 1.00 0.00 C ATOM 176 C GLU A 13 1.321 10.993 -8.512 1.00 0.00 C ATOM 177 O GLU A 13 0.900 9.843 -8.341 1.00 0.00 O ATOM 178 CB GLU A 13 3.587 10.759 -9.668 1.00 0.00 C ATOM 179 CG GLU A 13 5.039 11.260 -9.845 1.00 0.00 C ATOM 180 CD GLU A 13 5.788 10.524 -10.957 1.00 0.00 C ATOM 181 OE1 GLU A 13 5.664 10.918 -12.137 1.00 0.00 O ATOM 182 OE2 GLU A 13 6.505 9.545 -10.654 1.00 0.00 O ATOM 0 H GLU A 13 3.754 9.691 -7.459 1.00 0.00 H new ATOM 0 HA GLU A 13 2.944 12.392 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.601 9.671 -9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.019 11.023 -10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.026 12.327 -10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.578 11.136 -8.906 1.00 0.00 H new ATOM 189 N ASN A 14 0.508 12.034 -8.781 1.00 0.00 N ATOM 190 CA ASN A 14 -0.984 11.927 -8.878 1.00 0.00 C ATOM 191 C ASN A 14 -1.721 11.474 -7.567 1.00 0.00 C ATOM 192 O ASN A 14 -2.705 10.732 -7.632 1.00 0.00 O ATOM 193 CB ASN A 14 -1.418 11.133 -10.153 1.00 0.00 C ATOM 194 CG ASN A 14 -1.193 11.837 -11.504 1.00 0.00 C ATOM 195 OD1 ASN A 14 -0.070 11.918 -12.003 1.00 0.00 O ATOM 196 ND2 ASN A 14 -2.247 12.337 -12.130 1.00 0.00 N ATOM 0 H ASN A 14 0.856 12.980 -8.939 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.335 12.952 -8.997 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.878 10.186 -10.167 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.478 10.895 -10.064 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.133 12.795 -13.034 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.173 12.265 -11.708 1.00 0.00 H new ATOM 203 N PHE A 15 -1.300 11.966 -6.382 1.00 0.00 N ATOM 204 CA PHE A 15 -2.027 11.735 -5.098 1.00 0.00 C ATOM 205 C PHE A 15 -3.356 12.546 -4.994 1.00 0.00 C ATOM 206 O PHE A 15 -4.379 11.962 -4.635 1.00 0.00 O ATOM 207 CB PHE A 15 -1.065 11.976 -3.901 1.00 0.00 C ATOM 208 CG PHE A 15 -1.547 11.498 -2.514 1.00 0.00 C ATOM 209 CD1 PHE A 15 -1.675 10.130 -2.239 1.00 0.00 C ATOM 210 CD2 PHE A 15 -1.763 12.419 -1.482 1.00 0.00 C ATOM 211 CE1 PHE A 15 -1.984 9.692 -0.953 1.00 0.00 C ATOM 212 CE2 PHE A 15 -2.078 11.977 -0.199 1.00 0.00 C ATOM 213 CZ PHE A 15 -2.189 10.616 0.065 1.00 0.00 C ATOM 0 H PHE A 15 -0.456 12.530 -6.280 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.346 10.693 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.119 11.482 -4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.860 13.045 -3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.533 9.409 -3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.685 13.478 -1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.064 8.635 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.237 12.694 0.593 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.434 10.277 1.061 1.00 0.00 H new ATOM 223 N GLU A 16 -3.356 13.851 -5.343 1.00 0.00 N ATOM 224 CA GLU A 16 -4.597 14.668 -5.468 1.00 0.00 C ATOM 225 C GLU A 16 -5.605 14.197 -6.558 1.00 0.00 C ATOM 226 O GLU A 16 -6.799 14.108 -6.259 1.00 0.00 O ATOM 227 CB GLU A 16 -4.236 16.168 -5.666 1.00 0.00 C ATOM 228 CG GLU A 16 -3.573 16.863 -4.455 1.00 0.00 C ATOM 229 CD GLU A 16 -3.156 18.305 -4.754 1.00 0.00 C ATOM 230 OE1 GLU A 16 -4.025 19.205 -4.722 1.00 0.00 O ATOM 231 OE2 GLU A 16 -1.957 18.547 -5.018 1.00 0.00 O ATOM 0 H GLU A 16 -2.503 14.372 -5.547 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.126 14.524 -4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.566 16.252 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.146 16.711 -5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.266 16.857 -3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.696 16.292 -4.149 1.00 0.00 H new ATOM 238 N ALA A 17 -5.145 13.877 -7.786 1.00 0.00 N ATOM 239 CA ALA A 17 -6.015 13.301 -8.849 1.00 0.00 C ATOM 240 C ALA A 17 -6.628 11.902 -8.541 1.00 0.00 C ATOM 241 O ALA A 17 -7.816 11.705 -8.807 1.00 0.00 O ATOM 242 CB ALA A 17 -5.221 13.272 -10.168 1.00 0.00 C ATOM 0 H ALA A 17 -4.175 14.006 -8.072 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.885 13.954 -8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.844 12.853 -10.958 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.926 14.286 -10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.330 12.657 -10.043 1.00 0.00 H new ATOM 248 N PHE A 18 -5.845 10.951 -7.988 1.00 0.00 N ATOM 249 CA PHE A 18 -6.316 9.566 -7.703 1.00 0.00 C ATOM 250 C PHE A 18 -7.227 9.474 -6.445 1.00 0.00 C ATOM 251 O PHE A 18 -8.339 8.957 -6.565 1.00 0.00 O ATOM 252 CB PHE A 18 -5.084 8.615 -7.657 1.00 0.00 C ATOM 253 CG PHE A 18 -5.407 7.110 -7.616 1.00 0.00 C ATOM 254 CD1 PHE A 18 -5.546 6.374 -8.800 1.00 0.00 C ATOM 255 CD2 PHE A 18 -5.569 6.462 -6.385 1.00 0.00 C ATOM 256 CE1 PHE A 18 -5.850 5.017 -8.748 1.00 0.00 C ATOM 257 CE2 PHE A 18 -5.883 5.108 -6.338 1.00 0.00 C ATOM 258 CZ PHE A 18 -6.029 4.388 -7.519 1.00 0.00 C ATOM 0 H PHE A 18 -4.873 11.114 -7.725 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.969 9.241 -8.513 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.463 8.811 -8.531 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.487 8.864 -6.780 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.417 6.861 -9.755 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.449 7.017 -5.466 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.947 4.451 -9.663 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.013 4.616 -5.385 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.282 3.339 -7.483 1.00 0.00 H new ATOM 268 N MET A 19 -6.764 9.951 -5.267 1.00 0.00 N ATOM 269 CA MET A 19 -7.529 9.880 -3.991 1.00 0.00 C ATOM 270 C MET A 19 -8.876 10.667 -3.996 1.00 0.00 C ATOM 271 O MET A 19 -9.884 10.103 -3.565 1.00 0.00 O ATOM 272 CB MET A 19 -6.622 10.314 -2.804 1.00 0.00 C ATOM 273 CG MET A 19 -5.564 9.296 -2.338 1.00 0.00 C ATOM 274 SD MET A 19 -4.437 8.796 -3.656 1.00 0.00 S ATOM 275 CE MET A 19 -3.902 7.190 -3.027 1.00 0.00 C ATOM 0 H MET A 19 -5.851 10.396 -5.169 1.00 0.00 H new ATOM 0 HA MET A 19 -7.822 8.837 -3.869 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.109 11.234 -3.085 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.263 10.553 -1.955 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.988 9.728 -1.520 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.067 8.413 -1.943 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.197 6.742 -3.727 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.418 7.321 -2.059 1.00 0.00 H new ATOM 0 HE3 MET A 19 -4.767 6.537 -2.915 1.00 0.00 H new ATOM 285 N LYS A 20 -8.916 11.915 -4.514 1.00 0.00 N ATOM 286 CA LYS A 20 -10.183 12.671 -4.731 1.00 0.00 C ATOM 287 C LYS A 20 -11.179 12.007 -5.738 1.00 0.00 C ATOM 288 O LYS A 20 -12.376 11.967 -5.439 1.00 0.00 O ATOM 289 CB LYS A 20 -9.830 14.142 -5.104 1.00 0.00 C ATOM 290 CG LYS A 20 -10.928 15.199 -4.840 1.00 0.00 C ATOM 291 CD LYS A 20 -11.953 15.394 -5.977 1.00 0.00 C ATOM 292 CE LYS A 20 -13.044 16.419 -5.613 1.00 0.00 C ATOM 293 NZ LYS A 20 -14.012 16.592 -6.709 1.00 0.00 N ATOM 0 H LYS A 20 -8.080 12.429 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.741 12.655 -3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.937 14.431 -4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.572 14.174 -6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.466 14.919 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.446 16.156 -4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.435 15.723 -6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.420 14.437 -6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.566 16.092 -4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.580 17.378 -5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.732 17.289 -6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.517 16.928 -7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.472 15.682 -6.913 1.00 0.00 H new ATOM 307 N ALA A 21 -10.705 11.472 -6.888 1.00 0.00 N ATOM 308 CA ALA A 21 -11.562 10.730 -7.858 1.00 0.00 C ATOM 309 C ALA A 21 -12.284 9.451 -7.329 1.00 0.00 C ATOM 310 O ALA A 21 -13.425 9.209 -7.733 1.00 0.00 O ATOM 311 CB ALA A 21 -10.723 10.384 -9.102 1.00 0.00 C ATOM 0 H ALA A 21 -9.728 11.539 -7.173 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.382 11.412 -8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.340 9.841 -9.818 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.357 11.302 -9.561 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.876 9.763 -8.809 1.00 0.00 H new ATOM 317 N ILE A 22 -11.649 8.660 -6.438 1.00 0.00 N ATOM 318 CA ILE A 22 -12.296 7.486 -5.777 1.00 0.00 C ATOM 319 C ILE A 22 -13.226 7.898 -4.583 1.00 0.00 C ATOM 320 O ILE A 22 -14.368 7.431 -4.539 1.00 0.00 O ATOM 321 CB ILE A 22 -11.284 6.322 -5.472 1.00 0.00 C ATOM 322 CG1 ILE A 22 -10.121 6.692 -4.506 1.00 0.00 C ATOM 323 CG2 ILE A 22 -10.731 5.714 -6.787 1.00 0.00 C ATOM 324 CD1 ILE A 22 -9.265 5.528 -3.987 1.00 0.00 C ATOM 0 H ILE A 22 -10.681 8.808 -6.152 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.981 7.050 -6.504 1.00 0.00 H new ATOM 0 HB ILE A 22 -11.870 5.576 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.465 7.397 -5.016 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -10.544 7.214 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.033 4.911 -6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.555 5.316 -7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.215 6.487 -7.357 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.490 5.913 -3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.896 4.829 -3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.800 5.014 -4.829 1.00 0.00 H new ATOM 336 N GLY A 23 -12.776 8.778 -3.664 1.00 0.00 N ATOM 337 CA GLY A 23 -13.665 9.458 -2.688 1.00 0.00 C ATOM 338 C GLY A 23 -13.073 9.669 -1.278 1.00 0.00 C ATOM 339 O GLY A 23 -13.735 9.331 -0.294 1.00 0.00 O ATOM 0 H GLY A 23 -11.794 9.038 -3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.944 10.430 -3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.582 8.877 -2.594 1.00 0.00 H new ATOM 343 N LEU A 24 -11.874 10.272 -1.175 1.00 0.00 N ATOM 344 CA LEU A 24 -11.231 10.617 0.117 1.00 0.00 C ATOM 345 C LEU A 24 -11.350 12.146 0.432 1.00 0.00 C ATOM 346 O LEU A 24 -11.463 12.952 -0.502 1.00 0.00 O ATOM 347 CB LEU A 24 -9.742 10.176 0.067 1.00 0.00 C ATOM 348 CG LEU A 24 -9.492 8.666 0.366 1.00 0.00 C ATOM 349 CD1 LEU A 24 -9.145 7.892 -0.915 1.00 0.00 C ATOM 350 CD2 LEU A 24 -8.411 8.462 1.444 1.00 0.00 C ATOM 0 H LEU A 24 -11.317 10.537 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.745 10.090 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.343 10.406 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.178 10.771 0.785 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.424 8.263 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.977 6.843 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.969 7.973 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.242 8.311 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.270 7.396 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.473 8.901 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.725 8.944 2.370 1.00 0.00 H new ATOM 362 N PRO A 25 -11.293 12.600 1.723 1.00 0.00 N ATOM 363 CA PRO A 25 -11.362 14.039 2.077 1.00 0.00 C ATOM 364 C PRO A 25 -10.073 14.821 1.715 1.00 0.00 C ATOM 365 O PRO A 25 -8.960 14.301 1.839 1.00 0.00 O ATOM 366 CB PRO A 25 -11.589 14.008 3.601 1.00 0.00 C ATOM 367 CG PRO A 25 -11.028 12.672 4.091 1.00 0.00 C ATOM 368 CD PRO A 25 -11.116 11.721 2.897 1.00 0.00 C ATOM 0 HA PRO A 25 -12.144 14.559 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.084 14.843 4.086 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.649 14.095 3.838 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.998 12.781 4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.602 12.293 4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.213 11.117 2.806 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.952 11.030 3.003 1.00 0.00 H new ATOM 376 N GLU A 26 -10.245 16.099 1.340 1.00 0.00 N ATOM 377 CA GLU A 26 -9.100 17.034 1.136 1.00 0.00 C ATOM 378 C GLU A 26 -8.226 17.342 2.404 1.00 0.00 C ATOM 379 O GLU A 26 -7.050 17.676 2.243 1.00 0.00 O ATOM 380 CB GLU A 26 -9.617 18.317 0.423 1.00 0.00 C ATOM 381 CG GLU A 26 -8.559 19.160 -0.329 1.00 0.00 C ATOM 382 CD GLU A 26 -7.947 18.471 -1.558 1.00 0.00 C ATOM 383 OE1 GLU A 26 -8.576 18.490 -2.639 1.00 0.00 O ATOM 384 OE2 GLU A 26 -6.838 17.903 -1.447 1.00 0.00 O ATOM 0 H GLU A 26 -11.159 16.518 1.170 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.385 16.516 0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.390 18.025 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.094 18.953 1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.018 20.097 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.758 19.416 0.364 1.00 0.00 H new ATOM 391 N GLU A 27 -8.750 17.168 3.639 1.00 0.00 N ATOM 392 CA GLU A 27 -7.935 17.106 4.883 1.00 0.00 C ATOM 393 C GLU A 27 -6.878 15.951 4.894 1.00 0.00 C ATOM 394 O GLU A 27 -5.702 16.253 5.103 1.00 0.00 O ATOM 395 CB GLU A 27 -8.896 17.075 6.103 1.00 0.00 C ATOM 396 CG GLU A 27 -8.211 17.246 7.478 1.00 0.00 C ATOM 397 CD GLU A 27 -9.207 17.227 8.639 1.00 0.00 C ATOM 398 OE1 GLU A 27 -9.557 16.124 9.115 1.00 0.00 O ATOM 399 OE2 GLU A 27 -9.645 18.312 9.081 1.00 0.00 O ATOM 0 H GLU A 27 -9.751 17.066 3.806 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.319 18.004 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.638 17.865 5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.435 16.128 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.481 16.449 7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.661 18.187 7.491 1.00 0.00 H new ATOM 406 N LEU A 28 -7.259 14.674 4.647 1.00 0.00 N ATOM 407 CA LEU A 28 -6.274 13.551 4.516 1.00 0.00 C ATOM 408 C LEU A 28 -5.352 13.556 3.251 1.00 0.00 C ATOM 409 O LEU A 28 -4.265 12.974 3.307 1.00 0.00 O ATOM 410 CB LEU A 28 -6.985 12.169 4.639 1.00 0.00 C ATOM 411 CG LEU A 28 -7.659 11.810 5.995 1.00 0.00 C ATOM 412 CD1 LEU A 28 -8.411 10.466 5.889 1.00 0.00 C ATOM 413 CD2 LEU A 28 -6.665 11.745 7.173 1.00 0.00 C ATOM 0 H LEU A 28 -8.232 14.388 4.534 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.594 13.725 5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.749 12.117 3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.250 11.395 4.416 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.359 12.619 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.875 10.232 6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.181 10.539 5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.708 9.676 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.201 11.490 8.087 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.910 10.985 6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.181 12.714 7.294 1.00 0.00 H new ATOM 425 N ILE A 29 -5.755 14.195 2.136 1.00 0.00 N ATOM 426 CA ILE A 29 -4.920 14.348 0.906 1.00 0.00 C ATOM 427 C ILE A 29 -3.803 15.428 1.107 1.00 0.00 C ATOM 428 O ILE A 29 -2.633 15.153 0.833 1.00 0.00 O ATOM 429 CB ILE A 29 -5.835 14.603 -0.346 1.00 0.00 C ATOM 430 CG1 ILE A 29 -6.864 13.456 -0.588 1.00 0.00 C ATOM 431 CG2 ILE A 29 -5.021 14.834 -1.644 1.00 0.00 C ATOM 432 CD1 ILE A 29 -8.014 13.774 -1.556 1.00 0.00 C ATOM 0 H ILE A 29 -6.675 14.627 2.052 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.388 13.416 0.714 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.381 15.516 -0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.326 12.587 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.293 13.171 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.704 15.005 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.376 15.704 -1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.409 13.956 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.665 12.904 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.588 14.619 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.606 14.025 -2.535 1.00 0.00 H new ATOM 444 N GLN A 30 -4.166 16.642 1.564 1.00 0.00 N ATOM 445 CA GLN A 30 -3.186 17.719 1.901 1.00 0.00 C ATOM 446 C GLN A 30 -2.273 17.448 3.144 1.00 0.00 C ATOM 447 O GLN A 30 -1.146 17.951 3.183 1.00 0.00 O ATOM 448 CB GLN A 30 -3.926 19.076 2.085 1.00 0.00 C ATOM 449 CG GLN A 30 -4.733 19.624 0.883 1.00 0.00 C ATOM 450 CD GLN A 30 -3.898 20.075 -0.325 1.00 0.00 C ATOM 451 OE1 GLN A 30 -3.378 21.189 -0.361 1.00 0.00 O ATOM 452 NE2 GLN A 30 -3.760 19.232 -1.337 1.00 0.00 N ATOM 0 H GLN A 30 -5.138 16.913 1.713 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.506 17.746 1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.609 18.974 2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.186 19.827 2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.429 18.853 0.554 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.331 20.469 1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.196 18.311 -1.296 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.218 19.504 -2.157 1.00 0.00 H new ATOM 461 N LYS A 31 -2.741 16.661 4.133 1.00 0.00 N ATOM 462 CA LYS A 31 -1.900 16.157 5.252 1.00 0.00 C ATOM 463 C LYS A 31 -0.948 15.004 4.806 1.00 0.00 C ATOM 464 O LYS A 31 0.257 15.090 5.059 1.00 0.00 O ATOM 465 CB LYS A 31 -2.845 15.779 6.430 1.00 0.00 C ATOM 466 CG LYS A 31 -2.192 15.345 7.763 1.00 0.00 C ATOM 467 CD LYS A 31 -1.207 16.328 8.440 1.00 0.00 C ATOM 468 CE LYS A 31 -1.813 17.608 9.055 1.00 0.00 C ATOM 469 NZ LYS A 31 -2.155 18.640 8.058 1.00 0.00 N ATOM 0 H LYS A 31 -3.712 16.353 4.184 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.219 16.936 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.486 16.636 6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.493 14.969 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.991 15.130 8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.662 14.409 7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.678 15.791 9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.463 16.626 7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.711 17.343 9.613 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.105 18.027 9.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.080 19.582 8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.498 18.577 7.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.128 18.490 7.723 1.00 0.00 H new ATOM 483 N GLY A 32 -1.476 13.956 4.142 1.00 0.00 N ATOM 484 CA GLY A 32 -0.667 12.822 3.646 1.00 0.00 C ATOM 485 C GLY A 32 0.332 13.028 2.484 1.00 0.00 C ATOM 486 O GLY A 32 1.233 12.195 2.351 1.00 0.00 O ATOM 0 H GLY A 32 -2.471 13.871 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.102 12.434 4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.361 12.039 3.340 1.00 0.00 H new ATOM 490 N LYS A 33 0.222 14.102 1.672 1.00 0.00 N ATOM 491 CA LYS A 33 1.286 14.484 0.700 1.00 0.00 C ATOM 492 C LYS A 33 2.639 14.928 1.360 1.00 0.00 C ATOM 493 O LYS A 33 3.708 14.514 0.902 1.00 0.00 O ATOM 494 CB LYS A 33 0.704 15.487 -0.334 1.00 0.00 C ATOM 495 CG LYS A 33 0.530 16.949 0.127 1.00 0.00 C ATOM 496 CD LYS A 33 -0.171 17.838 -0.919 1.00 0.00 C ATOM 497 CE LYS A 33 0.050 19.354 -0.748 1.00 0.00 C ATOM 498 NZ LYS A 33 -0.424 19.898 0.538 1.00 0.00 N ATOM 0 H LYS A 33 -0.588 14.722 1.665 1.00 0.00 H new ATOM 0 HA LYS A 33 1.588 13.588 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.352 15.483 -1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.269 15.115 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.046 16.965 1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.509 17.370 0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.175 17.546 -1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.242 17.637 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.114 19.567 -0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.458 19.876 -1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.317 20.410 0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.579 19.118 1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.289 20.550 0.923 1.00 0.00 H new ATOM 512 N ASP A 34 2.576 15.725 2.450 1.00 0.00 N ATOM 513 CA ASP A 34 3.746 16.069 3.308 1.00 0.00 C ATOM 514 C ASP A 34 4.337 14.872 4.124 1.00 0.00 C ATOM 515 O ASP A 34 5.564 14.779 4.233 1.00 0.00 O ATOM 516 CB ASP A 34 3.370 17.233 4.270 1.00 0.00 C ATOM 517 CG ASP A 34 3.037 18.575 3.595 1.00 0.00 C ATOM 518 OD1 ASP A 34 3.965 19.373 3.342 1.00 0.00 O ATOM 519 OD2 ASP A 34 1.844 18.830 3.316 1.00 0.00 O ATOM 0 H ASP A 34 1.707 16.154 2.767 1.00 0.00 H new ATOM 0 HA ASP A 34 4.536 16.371 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.511 16.924 4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.198 17.390 4.961 1.00 0.00 H new ATOM 524 N ILE A 35 3.495 13.974 4.686 1.00 0.00 N ATOM 525 CA ILE A 35 3.948 12.791 5.476 1.00 0.00 C ATOM 526 C ILE A 35 4.546 11.729 4.500 1.00 0.00 C ATOM 527 O ILE A 35 3.902 11.333 3.521 1.00 0.00 O ATOM 528 CB ILE A 35 2.772 12.195 6.340 1.00 0.00 C ATOM 529 CG1 ILE A 35 2.141 13.207 7.347 1.00 0.00 C ATOM 530 CG2 ILE A 35 3.193 10.920 7.128 1.00 0.00 C ATOM 531 CD1 ILE A 35 0.726 12.839 7.821 1.00 0.00 C ATOM 0 H ILE A 35 2.480 14.044 4.608 1.00 0.00 H new ATOM 0 HA ILE A 35 4.721 13.099 6.179 1.00 0.00 H new ATOM 0 HB ILE A 35 2.017 11.939 5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.792 13.287 8.217 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.109 14.192 6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.345 10.552 7.705 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.516 10.150 6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.013 11.164 7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.367 13.597 8.517 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.056 12.788 6.962 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.750 11.870 8.320 1.00 0.00 H new ATOM 543 N LYS A 36 5.754 11.237 4.833 1.00 0.00 N ATOM 544 CA LYS A 36 6.367 10.076 4.137 1.00 0.00 C ATOM 545 C LYS A 36 5.928 8.772 4.864 1.00 0.00 C ATOM 546 O LYS A 36 6.478 8.409 5.910 1.00 0.00 O ATOM 547 CB LYS A 36 7.911 10.225 4.065 1.00 0.00 C ATOM 548 CG LYS A 36 8.403 11.289 3.058 1.00 0.00 C ATOM 549 CD LYS A 36 9.940 11.403 3.005 1.00 0.00 C ATOM 550 CE LYS A 36 10.425 12.321 1.867 1.00 0.00 C ATOM 551 NZ LYS A 36 11.897 12.340 1.783 1.00 0.00 N ATOM 0 H LYS A 36 6.331 11.622 5.581 1.00 0.00 H new ATOM 0 HA LYS A 36 6.019 10.030 3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.286 10.480 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.345 9.261 3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.028 11.042 2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.981 12.258 3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.306 11.787 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.370 10.410 2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.009 11.979 0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.055 13.333 2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.192 12.967 1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.291 12.689 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.247 11.377 1.602 1.00 0.00 H new ATOM 565 N GLY A 37 4.901 8.102 4.308 1.00 0.00 N ATOM 566 CA GLY A 37 4.256 6.938 4.954 1.00 0.00 C ATOM 567 C GLY A 37 4.900 5.585 4.592 1.00 0.00 C ATOM 568 O GLY A 37 5.247 5.333 3.433 1.00 0.00 O ATOM 0 H GLY A 37 4.496 8.348 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.293 7.069 6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.204 6.915 4.671 1.00 0.00 H new ATOM 572 N VAL A 38 5.013 4.703 5.601 1.00 0.00 N ATOM 573 CA VAL A 38 5.637 3.358 5.440 1.00 0.00 C ATOM 574 C VAL A 38 4.561 2.384 4.869 1.00 0.00 C ATOM 575 O VAL A 38 3.556 2.084 5.522 1.00 0.00 O ATOM 576 CB VAL A 38 6.294 2.823 6.759 1.00 0.00 C ATOM 577 CG1 VAL A 38 7.073 1.505 6.532 1.00 0.00 C ATOM 578 CG2 VAL A 38 7.265 3.819 7.441 1.00 0.00 C ATOM 0 H VAL A 38 4.681 4.891 6.547 1.00 0.00 H new ATOM 0 HA VAL A 38 6.467 3.435 4.738 1.00 0.00 H new ATOM 0 HB VAL A 38 5.440 2.664 7.417 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.510 1.174 7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.392 0.740 6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.866 1.672 5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.673 3.368 8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.078 4.061 6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.727 4.731 7.702 1.00 0.00 H new ATOM 588 N SER A 39 4.818 1.897 3.648 1.00 0.00 N ATOM 589 CA SER A 39 3.954 0.911 2.959 1.00 0.00 C ATOM 590 C SER A 39 4.610 -0.487 3.066 1.00 0.00 C ATOM 591 O SER A 39 5.640 -0.769 2.443 1.00 0.00 O ATOM 592 CB SER A 39 3.739 1.312 1.488 1.00 0.00 C ATOM 593 OG SER A 39 3.064 2.562 1.382 1.00 0.00 O ATOM 0 H SER A 39 5.634 2.173 3.102 1.00 0.00 H new ATOM 0 HA SER A 39 2.974 0.885 3.435 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.702 1.373 0.982 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.160 0.540 0.980 1.00 0.00 H new ATOM 0 HG SER A 39 2.944 2.790 0.436 1.00 0.00 H new ATOM 599 N GLU A 40 3.988 -1.350 3.877 1.00 0.00 N ATOM 600 CA GLU A 40 4.478 -2.719 4.153 1.00 0.00 C ATOM 601 C GLU A 40 3.821 -3.751 3.197 1.00 0.00 C ATOM 602 O GLU A 40 2.663 -3.620 2.786 1.00 0.00 O ATOM 603 CB GLU A 40 4.152 -3.086 5.623 1.00 0.00 C ATOM 604 CG GLU A 40 4.955 -2.347 6.714 1.00 0.00 C ATOM 605 CD GLU A 40 4.139 -1.335 7.524 1.00 0.00 C ATOM 606 OE1 GLU A 40 3.466 -1.741 8.498 1.00 0.00 O ATOM 607 OE2 GLU A 40 4.161 -0.132 7.192 1.00 0.00 O ATOM 0 H GLU A 40 3.123 -1.123 4.368 1.00 0.00 H new ATOM 0 HA GLU A 40 5.555 -2.745 3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.092 -2.898 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.310 -4.157 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.379 -3.083 7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.791 -1.829 6.244 1.00 0.00 H new ATOM 614 N ILE A 41 4.594 -4.805 2.897 1.00 0.00 N ATOM 615 CA ILE A 41 4.082 -6.046 2.243 1.00 0.00 C ATOM 616 C ILE A 41 4.795 -7.217 2.988 1.00 0.00 C ATOM 617 O ILE A 41 6.016 -7.198 3.171 1.00 0.00 O ATOM 618 CB ILE A 41 4.284 -6.104 0.683 1.00 0.00 C ATOM 619 CG1 ILE A 41 3.672 -4.876 -0.065 1.00 0.00 C ATOM 620 CG2 ILE A 41 3.704 -7.418 0.083 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.919 -4.802 -1.579 1.00 0.00 C ATOM 0 H ILE A 41 5.594 -4.834 3.096 1.00 0.00 H new ATOM 0 HA ILE A 41 2.997 -6.097 2.331 1.00 0.00 H new ATOM 0 HB ILE A 41 5.363 -6.078 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.595 -4.875 0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.068 -3.968 0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.860 -7.425 -0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.209 -8.275 0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.636 -7.475 0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.445 -3.907 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.991 -4.763 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.496 -5.684 -2.060 1.00 0.00 H new ATOM 633 N VAL A 42 4.020 -8.246 3.377 1.00 0.00 N ATOM 634 CA VAL A 42 4.553 -9.481 4.020 1.00 0.00 C ATOM 635 C VAL A 42 4.278 -10.632 3.009 1.00 0.00 C ATOM 636 O VAL A 42 3.123 -11.021 2.821 1.00 0.00 O ATOM 637 CB VAL A 42 3.900 -9.738 5.426 1.00 0.00 C ATOM 638 CG1 VAL A 42 4.386 -11.047 6.099 1.00 0.00 C ATOM 639 CG2 VAL A 42 4.112 -8.578 6.430 1.00 0.00 C ATOM 0 H VAL A 42 3.007 -8.254 3.259 1.00 0.00 H new ATOM 0 HA VAL A 42 5.619 -9.397 4.229 1.00 0.00 H new ATOM 0 HB VAL A 42 2.838 -9.821 5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.896 -11.163 7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.139 -11.897 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.466 -11.003 6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.634 -8.825 7.378 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.179 -8.426 6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.672 -7.665 6.029 1.00 0.00 H new ATOM 649 N GLN A 43 5.341 -11.212 2.415 1.00 0.00 N ATOM 650 CA GLN A 43 5.226 -12.455 1.603 1.00 0.00 C ATOM 651 C GLN A 43 5.127 -13.686 2.548 1.00 0.00 C ATOM 652 O GLN A 43 6.049 -13.967 3.322 1.00 0.00 O ATOM 653 CB GLN A 43 6.418 -12.576 0.618 1.00 0.00 C ATOM 654 CG GLN A 43 6.315 -13.764 -0.372 1.00 0.00 C ATOM 655 CD GLN A 43 7.460 -13.830 -1.393 1.00 0.00 C ATOM 656 OE1 GLN A 43 8.574 -14.244 -1.076 1.00 0.00 O ATOM 657 NE2 GLN A 43 7.221 -13.433 -2.634 1.00 0.00 N ATOM 0 H GLN A 43 6.291 -10.845 2.478 1.00 0.00 H new ATOM 0 HA GLN A 43 4.318 -12.414 1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.497 -11.650 0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.339 -12.677 1.192 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.294 -14.695 0.195 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.368 -13.696 -0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.295 -13.091 -2.891 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.963 -13.470 -3.333 1.00 0.00 H new ATOM 666 N ASN A 44 3.996 -14.405 2.452 1.00 0.00 N ATOM 667 CA ASN A 44 3.743 -15.635 3.244 1.00 0.00 C ATOM 668 C ASN A 44 3.188 -16.742 2.292 1.00 0.00 C ATOM 669 O ASN A 44 2.022 -17.137 2.387 1.00 0.00 O ATOM 670 CB ASN A 44 2.806 -15.231 4.425 1.00 0.00 C ATOM 671 CG ASN A 44 2.761 -16.240 5.586 1.00 0.00 C ATOM 672 OD1 ASN A 44 2.065 -17.253 5.533 1.00 0.00 O ATOM 673 ND2 ASN A 44 3.495 -15.972 6.658 1.00 0.00 N ATOM 0 H ASN A 44 3.229 -14.156 1.827 1.00 0.00 H new ATOM 0 HA ASN A 44 4.641 -16.068 3.686 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.130 -14.265 4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.795 -15.097 4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.488 -16.610 7.454 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.067 -15.128 6.687 1.00 0.00 H new ATOM 680 N GLY A 45 4.035 -17.227 1.354 1.00 0.00 N ATOM 681 CA GLY A 45 3.616 -18.181 0.297 1.00 0.00 C ATOM 682 C GLY A 45 2.719 -17.543 -0.791 1.00 0.00 C ATOM 683 O GLY A 45 3.093 -16.541 -1.409 1.00 0.00 O ATOM 0 H GLY A 45 5.021 -16.971 1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.504 -18.600 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.079 -19.010 0.759 1.00 0.00 H new ATOM 687 N LYS A 46 1.514 -18.110 -0.968 1.00 0.00 N ATOM 688 CA LYS A 46 0.404 -17.447 -1.717 1.00 0.00 C ATOM 689 C LYS A 46 -0.225 -16.213 -0.991 1.00 0.00 C ATOM 690 O LYS A 46 -0.605 -15.258 -1.670 1.00 0.00 O ATOM 691 CB LYS A 46 -0.710 -18.477 -2.051 1.00 0.00 C ATOM 692 CG LYS A 46 -0.358 -19.516 -3.137 1.00 0.00 C ATOM 693 CD LYS A 46 -1.497 -20.528 -3.374 1.00 0.00 C ATOM 694 CE LYS A 46 -1.186 -21.515 -4.513 1.00 0.00 C ATOM 695 NZ LYS A 46 -2.279 -22.486 -4.696 1.00 0.00 N ATOM 0 H LYS A 46 1.271 -19.032 -0.605 1.00 0.00 H new ATOM 0 HA LYS A 46 0.861 -17.061 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.973 -19.009 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.599 -17.933 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.134 -19.000 -4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.545 -20.052 -2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.679 -21.085 -2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.415 -19.988 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.027 -20.965 -5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.259 -22.045 -4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.039 -23.137 -5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.413 -23.027 -3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.157 -21.980 -4.929 1.00 0.00 H new ATOM 709 N HIS A 47 -0.338 -16.225 0.355 1.00 0.00 N ATOM 710 CA HIS A 47 -0.881 -15.092 1.152 1.00 0.00 C ATOM 711 C HIS A 47 0.074 -13.867 1.147 1.00 0.00 C ATOM 712 O HIS A 47 1.297 -14.003 1.246 1.00 0.00 O ATOM 713 CB HIS A 47 -1.142 -15.540 2.617 1.00 0.00 C ATOM 714 CG HIS A 47 -2.266 -16.566 2.795 1.00 0.00 C ATOM 715 ND1 HIS A 47 -2.066 -17.905 3.071 1.00 0.00 N ATOM 716 CD2 HIS A 47 -3.641 -16.308 2.648 1.00 0.00 C ATOM 717 CE1 HIS A 47 -3.363 -18.343 3.058 1.00 0.00 C ATOM 718 NE2 HIS A 47 -4.390 -17.464 2.819 1.00 0.00 N ATOM 0 H HIS A 47 -0.055 -17.022 0.926 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.819 -14.790 0.686 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.221 -15.960 3.021 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.379 -14.659 3.213 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.060 -15.336 2.430 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.579 -19.386 3.237 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.398 -17.615 2.779 1.00 0.00 H new ATOM 726 N PHE A 48 -0.522 -12.674 1.027 1.00 0.00 N ATOM 727 CA PHE A 48 0.218 -11.390 0.997 1.00 0.00 C ATOM 728 C PHE A 48 -0.579 -10.383 1.858 1.00 0.00 C ATOM 729 O PHE A 48 -1.532 -9.760 1.374 1.00 0.00 O ATOM 730 CB PHE A 48 0.392 -10.872 -0.456 1.00 0.00 C ATOM 731 CG PHE A 48 1.533 -11.498 -1.269 1.00 0.00 C ATOM 732 CD1 PHE A 48 2.816 -10.953 -1.183 1.00 0.00 C ATOM 733 CD2 PHE A 48 1.301 -12.575 -2.131 1.00 0.00 C ATOM 734 CE1 PHE A 48 3.849 -11.464 -1.962 1.00 0.00 C ATOM 735 CE2 PHE A 48 2.341 -13.097 -2.898 1.00 0.00 C ATOM 736 CZ PHE A 48 3.612 -12.531 -2.821 1.00 0.00 C ATOM 0 H PHE A 48 -1.533 -12.563 0.947 1.00 0.00 H new ATOM 0 HA PHE A 48 1.223 -11.522 1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.542 -11.039 -0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.550 -9.794 -0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.007 -10.131 -0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.312 -13.004 -2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.836 -11.031 -1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.162 -13.939 -3.551 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.414 -12.922 -3.430 1.00 0.00 H new ATOM 746 N LYS A 49 -0.167 -10.216 3.131 1.00 0.00 N ATOM 747 CA LYS A 49 -0.776 -9.211 4.038 1.00 0.00 C ATOM 748 C LYS A 49 0.023 -7.890 3.915 1.00 0.00 C ATOM 749 O LYS A 49 1.133 -7.748 4.441 1.00 0.00 O ATOM 750 CB LYS A 49 -0.831 -9.721 5.497 1.00 0.00 C ATOM 751 CG LYS A 49 -1.762 -8.887 6.413 1.00 0.00 C ATOM 752 CD LYS A 49 -1.747 -9.294 7.900 1.00 0.00 C ATOM 753 CE LYS A 49 -0.467 -8.870 8.647 1.00 0.00 C ATOM 754 NZ LYS A 49 -0.528 -9.238 10.070 1.00 0.00 N ATOM 0 H LYS A 49 0.583 -10.761 3.557 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.810 -9.032 3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.168 -10.757 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.176 -9.713 5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.478 -7.838 6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.783 -8.969 6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.610 -8.852 8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.857 -10.376 7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.399 -9.343 8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.330 -7.793 8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.348 -8.939 10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.341 -8.767 10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.634 -10.269 10.158 1.00 0.00 H new ATOM 768 N PHE A 50 -0.602 -6.922 3.235 1.00 0.00 N ATOM 769 CA PHE A 50 -0.114 -5.523 3.192 1.00 0.00 C ATOM 770 C PHE A 50 -0.593 -4.725 4.434 1.00 0.00 C ATOM 771 O PHE A 50 -1.686 -4.965 4.957 1.00 0.00 O ATOM 772 CB PHE A 50 -0.476 -4.839 1.840 1.00 0.00 C ATOM 773 CG PHE A 50 -1.959 -4.532 1.518 1.00 0.00 C ATOM 774 CD1 PHE A 50 -2.586 -3.394 2.044 1.00 0.00 C ATOM 775 CD2 PHE A 50 -2.667 -5.354 0.637 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.894 -3.082 1.687 1.00 0.00 C ATOM 777 CE2 PHE A 50 -3.972 -5.034 0.270 1.00 0.00 C ATOM 778 CZ PHE A 50 -4.582 -3.895 0.790 1.00 0.00 C ATOM 0 H PHE A 50 -1.456 -7.076 2.699 1.00 0.00 H new ATOM 0 HA PHE A 50 0.975 -5.535 3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.071 -3.897 1.793 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.091 -5.471 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.050 -2.755 2.731 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.200 -6.242 0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.375 -2.210 2.105 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.511 -5.669 -0.418 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.590 -3.642 0.497 1.00 0.00 H new ATOM 788 N THR A 51 0.224 -3.752 4.863 1.00 0.00 N ATOM 789 CA THR A 51 -0.202 -2.722 5.845 1.00 0.00 C ATOM 790 C THR A 51 0.292 -1.367 5.267 1.00 0.00 C ATOM 791 O THR A 51 1.397 -0.908 5.579 1.00 0.00 O ATOM 792 CB THR A 51 0.301 -3.077 7.276 1.00 0.00 C ATOM 793 OG1 THR A 51 -0.222 -4.339 7.686 1.00 0.00 O ATOM 794 CG2 THR A 51 -0.111 -2.048 8.336 1.00 0.00 C ATOM 0 H THR A 51 1.189 -3.650 4.549 1.00 0.00 H new ATOM 0 HA THR A 51 -1.282 -2.665 5.978 1.00 0.00 H new ATOM 0 HB THR A 51 1.389 -3.093 7.208 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.103 -4.551 8.586 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.271 -2.355 9.309 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.301 -1.073 8.076 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.198 -1.983 8.377 1.00 0.00 H new ATOM 802 N ILE A 52 -0.539 -0.745 4.406 1.00 0.00 N ATOM 803 CA ILE A 52 -0.163 0.490 3.662 1.00 0.00 C ATOM 804 C ILE A 52 -0.579 1.735 4.487 1.00 0.00 C ATOM 805 O ILE A 52 -1.734 1.852 4.906 1.00 0.00 O ATOM 806 CB ILE A 52 -0.622 0.523 2.160 1.00 0.00 C ATOM 807 CG1 ILE A 52 -2.159 0.542 1.890 1.00 0.00 C ATOM 808 CG2 ILE A 52 0.059 -0.593 1.330 1.00 0.00 C ATOM 809 CD1 ILE A 52 -2.773 1.949 1.812 1.00 0.00 C ATOM 0 H ILE A 52 -1.483 -1.075 4.203 1.00 0.00 H new ATOM 0 HA ILE A 52 0.922 0.496 3.561 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.282 1.504 1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.358 0.020 0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.661 -0.017 2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.283 -0.538 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.141 -0.461 1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.200 -1.566 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.843 1.869 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.610 2.470 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.302 2.507 1.003 1.00 0.00 H new ATOM 821 N THR A 53 0.375 2.657 4.710 1.00 0.00 N ATOM 822 CA THR A 53 0.115 3.927 5.436 1.00 0.00 C ATOM 823 C THR A 53 -0.041 5.037 4.361 1.00 0.00 C ATOM 824 O THR A 53 0.952 5.528 3.813 1.00 0.00 O ATOM 825 CB THR A 53 1.235 4.208 6.481 1.00 0.00 C ATOM 826 OG1 THR A 53 1.372 3.106 7.375 1.00 0.00 O ATOM 827 CG2 THR A 53 0.982 5.456 7.342 1.00 0.00 C ATOM 0 H THR A 53 1.340 2.551 4.398 1.00 0.00 H new ATOM 0 HA THR A 53 -0.801 3.880 6.025 1.00 0.00 H new ATOM 0 HB THR A 53 2.137 4.370 5.890 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.071 2.503 7.046 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.805 5.586 8.045 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.912 6.334 6.699 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.049 5.335 7.893 1.00 0.00 H new ATOM 901 N ILE A 59 -4.322 1.223 6.433 1.00 0.00 N ATOM 902 CA ILE A 59 -5.348 0.264 5.933 1.00 0.00 C ATOM 903 C ILE A 59 -4.584 -1.066 5.648 1.00 0.00 C ATOM 904 O ILE A 59 -3.727 -1.116 4.758 1.00 0.00 O ATOM 905 CB ILE A 59 -6.114 0.867 4.695 1.00 0.00 C ATOM 906 CG1 ILE A 59 -6.999 2.089 5.104 1.00 0.00 C ATOM 907 CG2 ILE A 59 -6.976 -0.186 3.950 1.00 0.00 C ATOM 908 CD1 ILE A 59 -7.590 2.924 3.960 1.00 0.00 C ATOM 0 HA ILE A 59 -6.139 0.066 6.656 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.341 1.207 4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.821 1.723 5.719 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.400 2.748 5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.480 0.287 3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.335 -0.989 3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.719 -0.597 4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.182 3.740 4.374 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.782 3.333 3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.226 2.292 3.339 1.00 0.00 H new ATOM 920 N GLN A 60 -4.935 -2.137 6.389 1.00 0.00 N ATOM 921 CA GLN A 60 -4.322 -3.484 6.226 1.00 0.00 C ATOM 922 C GLN A 60 -5.360 -4.537 5.753 1.00 0.00 C ATOM 923 O GLN A 60 -6.451 -4.657 6.321 1.00 0.00 O ATOM 924 CB GLN A 60 -3.575 -3.932 7.508 1.00 0.00 C ATOM 925 CG GLN A 60 -4.378 -4.114 8.816 1.00 0.00 C ATOM 926 CD GLN A 60 -3.479 -4.516 9.996 1.00 0.00 C ATOM 927 OE1 GLN A 60 -2.886 -3.669 10.665 1.00 0.00 O ATOM 928 NE2 GLN A 60 -3.348 -5.806 10.269 1.00 0.00 N ATOM 0 H GLN A 60 -5.649 -2.099 7.117 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.574 -3.406 5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.083 -4.880 7.289 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.789 -3.203 7.703 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.895 -3.185 9.055 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.143 -4.876 8.668 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.844 -6.499 9.708 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.751 -6.106 11.040 1.00 0.00 H new ATOM 937 N ASN A 61 -4.986 -5.302 4.711 1.00 0.00 N ATOM 938 CA ASN A 61 -5.838 -6.392 4.142 1.00 0.00 C ATOM 939 C ASN A 61 -4.933 -7.498 3.513 1.00 0.00 C ATOM 940 O ASN A 61 -3.845 -7.221 2.994 1.00 0.00 O ATOM 941 CB ASN A 61 -6.851 -5.892 3.068 1.00 0.00 C ATOM 942 CG ASN A 61 -7.936 -4.898 3.516 1.00 0.00 C ATOM 943 OD1 ASN A 61 -8.976 -5.277 4.053 1.00 0.00 O ATOM 944 ND2 ASN A 61 -7.717 -3.611 3.298 1.00 0.00 N ATOM 0 H ASN A 61 -4.091 -5.192 4.233 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.421 -6.790 4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.283 -5.428 2.262 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.349 -6.764 2.645 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.415 -2.921 3.576 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.851 -3.309 2.852 1.00 0.00 H new ATOM 951 N GLU A 62 -5.424 -8.755 3.533 1.00 0.00 N ATOM 952 CA GLU A 62 -4.703 -9.930 2.976 1.00 0.00 C ATOM 953 C GLU A 62 -5.396 -10.441 1.679 1.00 0.00 C ATOM 954 O GLU A 62 -6.612 -10.662 1.646 1.00 0.00 O ATOM 955 CB GLU A 62 -4.603 -11.032 4.067 1.00 0.00 C ATOM 956 CG GLU A 62 -3.665 -12.208 3.710 1.00 0.00 C ATOM 957 CD GLU A 62 -3.527 -13.224 4.844 1.00 0.00 C ATOM 958 OE1 GLU A 62 -4.413 -14.096 4.985 1.00 0.00 O ATOM 959 OE2 GLU A 62 -2.530 -13.160 5.597 1.00 0.00 O ATOM 0 H GLU A 62 -6.332 -8.989 3.935 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.691 -9.641 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.256 -10.576 4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.601 -11.426 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.045 -12.712 2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.680 -11.816 3.458 1.00 0.00 H new ATOM 966 N PHE A 63 -4.573 -10.670 0.640 1.00 0.00 N ATOM 967 CA PHE A 63 -4.989 -11.358 -0.614 1.00 0.00 C ATOM 968 C PHE A 63 -4.202 -12.680 -0.816 1.00 0.00 C ATOM 969 O PHE A 63 -2.987 -12.740 -0.611 1.00 0.00 O ATOM 970 CB PHE A 63 -4.879 -10.453 -1.875 1.00 0.00 C ATOM 971 CG PHE A 63 -3.526 -9.787 -2.209 1.00 0.00 C ATOM 972 CD1 PHE A 63 -2.540 -10.489 -2.913 1.00 0.00 C ATOM 973 CD2 PHE A 63 -3.306 -8.446 -1.874 1.00 0.00 C ATOM 974 CE1 PHE A 63 -1.359 -9.853 -3.290 1.00 0.00 C ATOM 975 CE2 PHE A 63 -2.124 -7.814 -2.253 1.00 0.00 C ATOM 976 CZ PHE A 63 -1.152 -8.517 -2.958 1.00 0.00 C ATOM 0 H PHE A 63 -3.594 -10.385 0.638 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.046 -11.594 -0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.170 -11.054 -2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.619 -9.659 -1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.696 -11.528 -3.165 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.055 -7.900 -1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.605 -10.396 -3.840 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.962 -6.777 -1.999 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.235 -8.025 -3.248 1.00 0.00 H new ATOM 986 N THR A 64 -4.909 -13.709 -1.309 1.00 0.00 N ATOM 987 CA THR A 64 -4.285 -14.977 -1.773 1.00 0.00 C ATOM 988 C THR A 64 -4.065 -14.874 -3.313 1.00 0.00 C ATOM 989 O THR A 64 -4.953 -14.458 -4.065 1.00 0.00 O ATOM 990 CB THR A 64 -5.196 -16.186 -1.392 1.00 0.00 C ATOM 991 OG1 THR A 64 -5.505 -16.163 -0.001 1.00 0.00 O ATOM 992 CG2 THR A 64 -4.584 -17.568 -1.683 1.00 0.00 C ATOM 0 H THR A 64 -5.925 -13.695 -1.401 1.00 0.00 H new ATOM 0 HA THR A 64 -3.321 -15.138 -1.290 1.00 0.00 H new ATOM 0 HB THR A 64 -6.079 -16.062 -2.019 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.339 -15.669 0.141 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.287 -18.347 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.374 -17.656 -2.749 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.658 -17.682 -1.120 1.00 0.00 H new ATOM 1000 N VAL A 65 -2.875 -15.304 -3.768 1.00 0.00 N ATOM 1001 CA VAL A 65 -2.532 -15.391 -5.218 1.00 0.00 C ATOM 1002 C VAL A 65 -3.036 -16.777 -5.723 1.00 0.00 C ATOM 1003 O VAL A 65 -2.596 -17.831 -5.252 1.00 0.00 O ATOM 1004 CB VAL A 65 -1.002 -15.139 -5.431 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -0.447 -15.472 -6.837 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -0.599 -13.678 -5.116 1.00 0.00 C ATOM 0 H VAL A 65 -2.119 -15.603 -3.152 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.022 -14.617 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.558 -15.842 -4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.621 -15.258 -6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.612 -16.528 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.959 -14.865 -7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.472 -13.553 -5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.147 -13.000 -5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.837 -13.451 -4.077 1.00 0.00 H new ATOM 1016 N GLY A 66 -3.976 -16.729 -6.675 1.00 0.00 N ATOM 1017 CA GLY A 66 -4.714 -17.931 -7.147 1.00 0.00 C ATOM 1018 C GLY A 66 -6.121 -18.235 -6.555 1.00 0.00 C ATOM 1019 O GLY A 66 -6.768 -19.162 -7.052 1.00 0.00 O ATOM 0 H GLY A 66 -4.253 -15.867 -7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.824 -17.846 -8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.083 -18.799 -6.958 1.00 0.00 H new ATOM 1023 N GLU A 67 -6.616 -17.482 -5.549 1.00 0.00 N ATOM 1024 CA GLU A 67 -8.019 -17.543 -5.076 1.00 0.00 C ATOM 1025 C GLU A 67 -8.484 -16.101 -4.713 1.00 0.00 C ATOM 1026 O GLU A 67 -7.775 -15.354 -4.028 1.00 0.00 O ATOM 1027 CB GLU A 67 -8.074 -18.515 -3.868 1.00 0.00 C ATOM 1028 CG GLU A 67 -9.450 -18.743 -3.223 1.00 0.00 C ATOM 1029 CD GLU A 67 -10.465 -19.473 -4.111 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -10.471 -20.724 -4.124 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -11.259 -18.796 -4.802 1.00 0.00 O ATOM 0 H GLU A 67 -6.048 -16.807 -5.036 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.697 -17.919 -5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.686 -19.481 -4.192 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.397 -18.141 -3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.315 -19.315 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.867 -17.777 -2.938 1.00 0.00 H new ATOM 1038 N GLU A 68 -9.701 -15.728 -5.161 1.00 0.00 N ATOM 1039 CA GLU A 68 -10.236 -14.349 -4.999 1.00 0.00 C ATOM 1040 C GLU A 68 -10.653 -14.028 -3.534 1.00 0.00 C ATOM 1041 O GLU A 68 -11.505 -14.704 -2.950 1.00 0.00 O ATOM 1042 CB GLU A 68 -11.311 -14.012 -6.066 1.00 0.00 C ATOM 1043 CG GLU A 68 -12.643 -14.777 -5.985 1.00 0.00 C ATOM 1044 CD GLU A 68 -13.649 -14.330 -7.047 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -14.420 -13.378 -6.792 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -13.674 -14.927 -8.146 1.00 0.00 O ATOM 0 H GLU A 68 -10.339 -16.363 -5.641 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.414 -13.661 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.529 -12.946 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.878 -14.190 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.451 -15.844 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.079 -14.635 -4.996 1.00 0.00 H new ATOM 1053 N CYS A 69 -10.001 -13.001 -2.962 1.00 0.00 N ATOM 1054 CA CYS A 69 -10.219 -12.564 -1.563 1.00 0.00 C ATOM 1055 C CYS A 69 -10.777 -11.118 -1.525 1.00 0.00 C ATOM 1056 O CYS A 69 -10.452 -10.261 -2.357 1.00 0.00 O ATOM 1057 CB CYS A 69 -8.887 -12.642 -0.791 1.00 0.00 C ATOM 1058 SG CYS A 69 -8.310 -14.369 -0.686 1.00 0.00 S ATOM 0 H CYS A 69 -9.303 -12.445 -3.456 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.950 -13.223 -1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.135 -12.031 -1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -9.016 -12.234 0.211 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.066 -14.818 -1.881 1.00 0.00 H new ATOM 1064 N GLU A 70 -11.601 -10.863 -0.498 1.00 0.00 N ATOM 1065 CA GLU A 70 -12.245 -9.544 -0.266 1.00 0.00 C ATOM 1066 C GLU A 70 -11.239 -8.491 0.288 1.00 0.00 C ATOM 1067 O GLU A 70 -10.601 -8.700 1.325 1.00 0.00 O ATOM 1068 CB GLU A 70 -13.554 -9.666 0.565 1.00 0.00 C ATOM 1069 CG GLU A 70 -13.638 -10.609 1.777 1.00 0.00 C ATOM 1070 CD GLU A 70 -12.756 -10.265 2.980 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -13.148 -9.398 3.789 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -11.666 -10.863 3.122 1.00 0.00 O ATOM 0 H GLU A 70 -11.846 -11.563 0.203 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.559 -9.160 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.800 -8.666 0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.344 -9.962 -0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.674 -10.639 2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.381 -11.615 1.444 1.00 0.00 H new ATOM 1079 N LEU A 71 -11.097 -7.377 -0.452 1.00 0.00 N ATOM 1080 CA LEU A 71 -10.125 -6.296 -0.142 1.00 0.00 C ATOM 1081 C LEU A 71 -10.893 -4.957 -0.001 1.00 0.00 C ATOM 1082 O LEU A 71 -11.592 -4.527 -0.924 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.052 -6.163 -1.263 1.00 0.00 C ATOM 1084 CG LEU A 71 -8.023 -7.316 -1.429 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -7.121 -7.042 -2.650 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.160 -7.527 -0.170 1.00 0.00 C ATOM 0 H LEU A 71 -11.653 -7.194 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.613 -6.543 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.574 -6.042 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.496 -5.242 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.589 -8.234 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.402 -7.854 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.735 -6.976 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.588 -6.102 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.459 -8.344 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.606 -6.614 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.803 -7.772 0.675 1.00 0.00 H new ATOM 1180 N LYS A 78 -15.646 -3.050 -0.809 1.00 0.00 N ATOM 1181 CA LYS A 78 -15.363 -4.494 -0.606 1.00 0.00 C ATOM 1182 C LYS A 78 -15.399 -5.226 -1.979 1.00 0.00 C ATOM 1183 O LYS A 78 -16.472 -5.425 -2.558 1.00 0.00 O ATOM 1184 CB LYS A 78 -16.387 -5.054 0.423 1.00 0.00 C ATOM 1185 CG LYS A 78 -16.071 -6.460 0.987 1.00 0.00 C ATOM 1186 CD LYS A 78 -15.243 -6.520 2.293 1.00 0.00 C ATOM 1187 CE LYS A 78 -13.801 -5.987 2.197 1.00 0.00 C ATOM 1188 NZ LYS A 78 -13.032 -6.258 3.423 1.00 0.00 N ATOM 0 HA LYS A 78 -14.366 -4.656 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -16.456 -4.355 1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -17.369 -5.084 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -17.015 -6.976 1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.537 -7.021 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -15.769 -5.953 3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -15.206 -7.556 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.300 -6.447 1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.823 -4.913 2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.053 -5.929 3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.467 -5.756 4.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.032 -7.280 3.614 1.00 0.00 H new ATOM 1202 N VAL A 79 -14.207 -5.575 -2.499 1.00 0.00 N ATOM 1203 CA VAL A 79 -14.038 -6.069 -3.895 1.00 0.00 C ATOM 1204 C VAL A 79 -13.357 -7.465 -3.807 1.00 0.00 C ATOM 1205 O VAL A 79 -12.225 -7.589 -3.325 1.00 0.00 O ATOM 1206 CB VAL A 79 -13.222 -5.066 -4.785 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.063 -5.555 -6.243 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -13.825 -3.644 -4.848 1.00 0.00 C ATOM 0 H VAL A 79 -13.334 -5.526 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.008 -6.153 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.254 -5.024 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.491 -4.822 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.539 -6.511 -6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -14.047 -5.677 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.203 -3.013 -5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.832 -3.694 -5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.866 -3.221 -3.844 1.00 0.00 H new ATOM 1218 N LYS A 80 -14.037 -8.492 -4.348 1.00 0.00 N ATOM 1219 CA LYS A 80 -13.497 -9.874 -4.425 1.00 0.00 C ATOM 1220 C LYS A 80 -12.646 -9.997 -5.724 1.00 0.00 C ATOM 1221 O LYS A 80 -13.188 -10.139 -6.827 1.00 0.00 O ATOM 1222 CB LYS A 80 -14.636 -10.933 -4.389 1.00 0.00 C ATOM 1223 CG LYS A 80 -15.479 -11.063 -3.095 1.00 0.00 C ATOM 1224 CD LYS A 80 -16.600 -10.010 -2.918 1.00 0.00 C ATOM 1225 CE LYS A 80 -17.646 -10.337 -1.833 1.00 0.00 C ATOM 1226 NZ LYS A 80 -17.124 -10.238 -0.457 1.00 0.00 N ATOM 0 H LYS A 80 -14.972 -8.395 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.868 -10.069 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.319 -10.714 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.191 -11.907 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.931 -12.055 -3.075 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.808 -11.001 -2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.140 -9.051 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.115 -9.888 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.492 -9.659 -1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.023 -11.346 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.880 -10.471 0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.335 -10.904 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.789 -9.269 -0.282 1.00 0.00 H new ATOM 1240 N THR A 81 -11.312 -9.899 -5.572 1.00 0.00 N ATOM 1241 CA THR A 81 -10.349 -9.886 -6.711 1.00 0.00 C ATOM 1242 C THR A 81 -9.138 -10.814 -6.396 1.00 0.00 C ATOM 1243 O THR A 81 -8.695 -10.910 -5.244 1.00 0.00 O ATOM 1244 CB THR A 81 -9.936 -8.428 -7.090 1.00 0.00 C ATOM 1245 OG1 THR A 81 -9.158 -8.461 -8.279 1.00 0.00 O ATOM 1246 CG2 THR A 81 -9.156 -7.620 -6.035 1.00 0.00 C ATOM 0 H THR A 81 -10.862 -9.826 -4.659 1.00 0.00 H new ATOM 0 HA THR A 81 -10.835 -10.290 -7.599 1.00 0.00 H new ATOM 0 HB THR A 81 -10.887 -7.907 -7.199 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.237 -8.195 -8.075 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.934 -6.628 -6.428 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.758 -7.526 -5.131 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.224 -8.134 -5.799 1.00 0.00 H new ATOM 1254 N VAL A 82 -8.595 -11.467 -7.447 1.00 0.00 N ATOM 1255 CA VAL A 82 -7.377 -12.316 -7.329 1.00 0.00 C ATOM 1256 C VAL A 82 -6.187 -11.617 -8.045 1.00 0.00 C ATOM 1257 O VAL A 82 -6.293 -11.085 -9.155 1.00 0.00 O ATOM 1258 CB VAL A 82 -7.608 -13.800 -7.765 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -7.873 -14.086 -9.250 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -6.440 -14.700 -7.337 1.00 0.00 C ATOM 0 H VAL A 82 -8.978 -11.425 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.119 -12.407 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.540 -14.024 -7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.013 -15.157 -9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.771 -13.556 -9.568 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.023 -13.748 -9.843 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.634 -15.724 -7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.519 -14.344 -7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.337 -14.671 -6.252 1.00 0.00 H new ATOM 1270 N VAL A 83 -5.037 -11.694 -7.364 1.00 0.00 N ATOM 1271 CA VAL A 83 -3.751 -11.124 -7.830 1.00 0.00 C ATOM 1272 C VAL A 83 -2.909 -12.287 -8.446 1.00 0.00 C ATOM 1273 O VAL A 83 -2.865 -13.392 -7.899 1.00 0.00 O ATOM 1274 CB VAL A 83 -3.036 -10.425 -6.623 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -1.769 -9.666 -7.067 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -3.924 -9.450 -5.799 1.00 0.00 C ATOM 0 H VAL A 83 -4.965 -12.160 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.893 -10.364 -8.598 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.781 -11.259 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.304 -9.196 -6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.067 -10.365 -7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.040 -8.900 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.336 -9.019 -4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.287 -8.652 -6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.772 -9.994 -5.383 1.00 0.00 H new ATOM 1286 N GLN A 84 -2.232 -12.021 -9.576 1.00 0.00 N ATOM 1287 CA GLN A 84 -1.292 -12.989 -10.212 1.00 0.00 C ATOM 1288 C GLN A 84 0.159 -12.473 -10.039 1.00 0.00 C ATOM 1289 O GLN A 84 0.470 -11.309 -10.315 1.00 0.00 O ATOM 1290 CB GLN A 84 -1.621 -13.205 -11.715 1.00 0.00 C ATOM 1291 CG GLN A 84 -2.716 -14.247 -12.051 1.00 0.00 C ATOM 1292 CD GLN A 84 -4.113 -14.007 -11.450 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -4.624 -14.962 -10.687 1.00 0.00 O flip ATOM 1294 NE2 GLN A 84 -4.741 -12.969 -11.661 1.00 0.00 N flip ATOM 0 H GLN A 84 -2.313 -11.138 -10.080 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.400 -13.955 -9.720 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.924 -12.247 -12.137 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.704 -13.501 -12.224 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.817 -14.296 -13.135 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.367 -15.225 -11.719 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.338 -12.240 -12.250 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.664 -12.838 -11.247 1.00 0.00 H new ATOM 1303 N LEU A 85 1.044 -13.389 -9.618 1.00 0.00 N ATOM 1304 CA LEU A 85 2.487 -13.116 -9.437 1.00 0.00 C ATOM 1305 C LEU A 85 3.248 -13.626 -10.691 1.00 0.00 C ATOM 1306 O LEU A 85 3.319 -14.834 -10.940 1.00 0.00 O ATOM 1307 CB LEU A 85 2.952 -13.784 -8.111 1.00 0.00 C ATOM 1308 CG LEU A 85 4.456 -13.645 -7.763 1.00 0.00 C ATOM 1309 CD1 LEU A 85 4.944 -12.184 -7.696 1.00 0.00 C ATOM 1310 CD2 LEU A 85 4.792 -14.381 -6.451 1.00 0.00 C ATOM 0 H LEU A 85 0.782 -14.348 -9.391 1.00 0.00 H new ATOM 0 HA LEU A 85 2.698 -12.050 -9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.371 -13.360 -7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.708 -14.845 -8.159 1.00 0.00 H new ATOM 0 HG LEU A 85 4.993 -14.113 -8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.005 -12.166 -7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.789 -11.704 -8.662 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.383 -11.648 -6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.854 -14.267 -6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.205 -13.958 -5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.555 -15.440 -6.557 1.00 0.00 H new ATOM 1322 N GLU A 86 3.824 -12.680 -11.451 1.00 0.00 N ATOM 1323 CA GLU A 86 4.597 -12.971 -12.681 1.00 0.00 C ATOM 1324 C GLU A 86 6.075 -12.571 -12.455 1.00 0.00 C ATOM 1325 O GLU A 86 6.397 -11.417 -12.154 1.00 0.00 O ATOM 1326 CB GLU A 86 3.980 -12.211 -13.882 1.00 0.00 C ATOM 1327 CG GLU A 86 2.757 -12.933 -14.476 1.00 0.00 C ATOM 1328 CD GLU A 86 2.140 -12.183 -15.659 1.00 0.00 C ATOM 1329 OE1 GLU A 86 1.320 -11.265 -15.431 1.00 0.00 O ATOM 1330 OE2 GLU A 86 2.473 -12.504 -16.821 1.00 0.00 O ATOM 0 H GLU A 86 3.769 -11.685 -11.233 1.00 0.00 H new ATOM 0 HA GLU A 86 4.558 -14.036 -12.908 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.687 -11.211 -13.562 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.737 -12.089 -14.657 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.052 -13.931 -14.799 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.003 -13.059 -13.699 1.00 0.00 H new ATOM 1337 N GLY A 87 6.964 -13.563 -12.615 1.00 0.00 N ATOM 1338 CA GLY A 87 8.434 -13.363 -12.480 1.00 0.00 C ATOM 1339 C GLY A 87 9.072 -13.101 -11.092 1.00 0.00 C ATOM 1340 O GLY A 87 10.217 -12.647 -11.032 1.00 0.00 O ATOM 0 H GLY A 87 6.698 -14.522 -12.840 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.918 -14.248 -12.894 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.704 -12.524 -13.121 1.00 0.00 H new ATOM 1344 N ASP A 88 8.330 -13.350 -10.000 1.00 0.00 N ATOM 1345 CA ASP A 88 8.692 -12.925 -8.611 1.00 0.00 C ATOM 1346 C ASP A 88 8.860 -11.374 -8.382 1.00 0.00 C ATOM 1347 O ASP A 88 9.672 -10.950 -7.554 1.00 0.00 O ATOM 1348 CB ASP A 88 9.838 -13.822 -8.052 1.00 0.00 C ATOM 1349 CG ASP A 88 9.991 -13.832 -6.522 1.00 0.00 C ATOM 1350 OD1 ASP A 88 9.049 -14.251 -5.814 1.00 0.00 O ATOM 1351 OD2 ASP A 88 11.062 -13.419 -6.025 1.00 0.00 O ATOM 0 H ASP A 88 7.447 -13.859 -10.044 1.00 0.00 H new ATOM 0 HA ASP A 88 7.814 -13.107 -7.991 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.671 -14.845 -8.389 1.00 0.00 H new ATOM 0 HB3 ASP A 88 10.780 -13.492 -8.491 1.00 0.00 H new ATOM 1356 N ASN A 89 8.077 -10.532 -9.096 1.00 0.00 N ATOM 1357 CA ASN A 89 8.161 -9.047 -9.011 1.00 0.00 C ATOM 1358 C ASN A 89 6.885 -8.280 -9.486 1.00 0.00 C ATOM 1359 O ASN A 89 6.695 -7.156 -9.016 1.00 0.00 O ATOM 1360 CB ASN A 89 9.460 -8.461 -9.639 1.00 0.00 C ATOM 1361 CG ASN A 89 9.644 -8.547 -11.167 1.00 0.00 C ATOM 1362 OD1 ASN A 89 9.608 -9.624 -11.763 1.00 0.00 O ATOM 1363 ND2 ASN A 89 9.871 -7.417 -11.822 1.00 0.00 N ATOM 0 H ASN A 89 7.366 -10.860 -9.750 1.00 0.00 H new ATOM 0 HA ASN A 89 8.215 -8.865 -7.938 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.519 -7.410 -9.357 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.308 -8.964 -9.175 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.018 -7.433 -12.831 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.898 -6.531 -11.317 1.00 0.00 H new ATOM 1370 N LYS A 90 6.033 -8.822 -10.386 1.00 0.00 N ATOM 1371 CA LYS A 90 4.809 -8.127 -10.873 1.00 0.00 C ATOM 1372 C LYS A 90 3.555 -8.745 -10.184 1.00 0.00 C ATOM 1373 O LYS A 90 3.106 -9.828 -10.569 1.00 0.00 O ATOM 1374 CB LYS A 90 4.664 -8.204 -12.421 1.00 0.00 C ATOM 1375 CG LYS A 90 5.789 -7.595 -13.293 1.00 0.00 C ATOM 1376 CD LYS A 90 6.806 -8.622 -13.825 1.00 0.00 C ATOM 1377 CE LYS A 90 7.842 -7.993 -14.771 1.00 0.00 C ATOM 1378 NZ LYS A 90 8.847 -8.983 -15.195 1.00 0.00 N ATOM 0 H LYS A 90 6.169 -9.746 -10.795 1.00 0.00 H new ATOM 0 HA LYS A 90 4.897 -7.072 -10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.563 -9.254 -12.694 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.730 -7.713 -12.693 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.337 -7.077 -14.139 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.321 -6.845 -12.707 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.322 -9.086 -12.984 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.274 -9.416 -14.350 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.338 -7.585 -15.647 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.337 -7.160 -14.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.533 -8.530 -15.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.343 -9.354 -14.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.376 -9.765 -15.693 1.00 0.00 H new ATOM 1392 N LEU A 91 2.973 -8.036 -9.194 1.00 0.00 N ATOM 1393 CA LEU A 91 1.666 -8.418 -8.584 1.00 0.00 C ATOM 1394 C LEU A 91 0.545 -7.590 -9.281 1.00 0.00 C ATOM 1395 O LEU A 91 0.370 -6.399 -9.006 1.00 0.00 O ATOM 1396 CB LEU A 91 1.684 -8.221 -7.039 1.00 0.00 C ATOM 1397 CG LEU A 91 2.428 -9.298 -6.199 1.00 0.00 C ATOM 1398 CD1 LEU A 91 2.615 -8.835 -4.740 1.00 0.00 C ATOM 1399 CD2 LEU A 91 1.726 -10.673 -6.196 1.00 0.00 C ATOM 0 H LEU A 91 3.383 -7.192 -8.794 1.00 0.00 H new ATOM 0 HA LEU A 91 1.471 -9.479 -8.742 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.137 -7.253 -6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.652 -8.173 -6.691 1.00 0.00 H new ATOM 0 HG LEU A 91 3.396 -9.420 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.138 -9.608 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.200 -7.915 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.640 -8.654 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.301 -11.374 -5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.725 -10.569 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.656 -11.048 -7.217 1.00 0.00 H new ATOM 1411 N VAL A 92 -0.180 -8.243 -10.210 1.00 0.00 N ATOM 1412 CA VAL A 92 -1.112 -7.569 -11.166 1.00 0.00 C ATOM 1413 C VAL A 92 -2.587 -7.946 -10.827 1.00 0.00 C ATOM 1414 O VAL A 92 -2.911 -9.132 -10.697 1.00 0.00 O ATOM 1415 CB VAL A 92 -0.736 -7.854 -12.663 1.00 0.00 C ATOM 1416 CG1 VAL A 92 0.648 -7.283 -13.047 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -0.813 -9.331 -13.124 1.00 0.00 C ATOM 0 H VAL A 92 -0.143 -9.256 -10.328 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.010 -6.490 -11.046 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.528 -7.328 -13.196 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.857 -7.509 -14.093 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.649 -6.203 -12.902 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.415 -7.734 -12.418 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.531 -9.399 -14.175 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.131 -9.935 -12.525 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.831 -9.699 -12.997 1.00 0.00 H new ATOM 1427 N THR A 93 -3.478 -6.940 -10.687 1.00 0.00 N ATOM 1428 CA THR A 93 -4.898 -7.169 -10.278 1.00 0.00 C ATOM 1429 C THR A 93 -5.849 -6.063 -10.829 1.00 0.00 C ATOM 1430 O THR A 93 -5.467 -4.896 -10.959 1.00 0.00 O ATOM 1431 CB THR A 93 -5.016 -7.366 -8.734 1.00 0.00 C ATOM 1432 OG1 THR A 93 -6.317 -7.829 -8.393 1.00 0.00 O ATOM 1433 CG2 THR A 93 -4.685 -6.154 -7.844 1.00 0.00 C ATOM 0 H THR A 93 -3.248 -5.960 -10.849 1.00 0.00 H new ATOM 0 HA THR A 93 -5.232 -8.100 -10.736 1.00 0.00 H new ATOM 0 HB THR A 93 -4.238 -8.099 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.376 -8.792 -8.562 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.807 -6.428 -6.796 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.655 -5.844 -8.020 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.358 -5.331 -8.085 1.00 0.00 H new ATOM 1441 N THR A 94 -7.110 -6.453 -11.102 1.00 0.00 N ATOM 1442 CA THR A 94 -8.187 -5.513 -11.531 1.00 0.00 C ATOM 1443 C THR A 94 -9.263 -5.445 -10.416 1.00 0.00 C ATOM 1444 O THR A 94 -9.897 -6.455 -10.087 1.00 0.00 O ATOM 1445 CB THR A 94 -8.831 -5.903 -12.895 1.00 0.00 C ATOM 1446 OG1 THR A 94 -9.260 -7.263 -12.905 1.00 0.00 O ATOM 1447 CG2 THR A 94 -7.911 -5.665 -14.101 1.00 0.00 C ATOM 0 H THR A 94 -7.419 -7.423 -11.034 1.00 0.00 H new ATOM 0 HA THR A 94 -7.735 -4.533 -11.684 1.00 0.00 H new ATOM 0 HB THR A 94 -9.691 -5.241 -12.995 1.00 0.00 H new ATOM 0 HG1 THR A 94 -9.643 -7.492 -12.032 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.426 -5.959 -15.015 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.649 -4.608 -14.156 1.00 0.00 H new ATOM 0 HG23 THR A 94 -7.004 -6.258 -13.989 1.00 0.00 H new ATOM 1455 N PHE A 95 -9.493 -4.237 -9.873 1.00 0.00 N ATOM 1456 CA PHE A 95 -10.533 -3.996 -8.835 1.00 0.00 C ATOM 1457 C PHE A 95 -11.924 -3.808 -9.515 1.00 0.00 C ATOM 1458 O PHE A 95 -12.661 -4.785 -9.671 1.00 0.00 O ATOM 1459 CB PHE A 95 -10.104 -2.858 -7.858 1.00 0.00 C ATOM 1460 CG PHE A 95 -8.971 -3.192 -6.870 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -7.632 -2.959 -7.208 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -9.280 -3.699 -5.602 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -6.619 -3.239 -6.292 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -8.266 -3.977 -4.690 1.00 0.00 C ATOM 1465 CZ PHE A 95 -6.936 -3.749 -5.036 1.00 0.00 C ATOM 0 H PHE A 95 -8.972 -3.400 -10.133 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.637 -4.870 -8.192 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -9.797 -1.997 -8.451 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -10.979 -2.553 -7.284 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.384 -2.561 -8.181 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.310 -3.875 -5.330 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.587 -3.060 -6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.510 -4.370 -3.714 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.150 -3.968 -4.329 1.00 0.00 H new ATOM 1475 N LYS A 96 -12.246 -2.576 -9.932 1.00 0.00 N ATOM 1476 CA LYS A 96 -13.441 -2.261 -10.766 1.00 0.00 C ATOM 1477 C LYS A 96 -12.936 -1.607 -12.082 1.00 0.00 C ATOM 1478 O LYS A 96 -12.953 -2.274 -13.122 1.00 0.00 O ATOM 1479 CB LYS A 96 -14.510 -1.432 -9.997 1.00 0.00 C ATOM 1480 CG LYS A 96 -15.211 -2.190 -8.846 1.00 0.00 C ATOM 1481 CD LYS A 96 -16.422 -1.432 -8.266 1.00 0.00 C ATOM 1482 CE LYS A 96 -17.115 -2.215 -7.136 1.00 0.00 C ATOM 1483 NZ LYS A 96 -18.245 -1.463 -6.565 1.00 0.00 N ATOM 0 H LYS A 96 -11.687 -1.754 -9.704 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.981 -3.173 -11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -14.034 -0.540 -9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -15.267 -1.094 -10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.540 -3.164 -9.209 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.490 -2.374 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.094 -0.464 -7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -17.140 -1.235 -9.062 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.471 -3.170 -7.521 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.392 -2.437 -6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -18.687 -2.022 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.901 -0.562 -6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -18.947 -1.273 -7.309 1.00 0.00 H new ATOM 1497 N ASN A 97 -12.440 -0.351 -12.038 1.00 0.00 N ATOM 1498 CA ASN A 97 -11.556 0.200 -13.102 1.00 0.00 C ATOM 1499 C ASN A 97 -10.263 0.777 -12.442 1.00 0.00 C ATOM 1500 O ASN A 97 -9.998 1.980 -12.520 1.00 0.00 O ATOM 1501 CB ASN A 97 -12.374 1.206 -13.966 1.00 0.00 C ATOM 1502 CG ASN A 97 -11.681 1.646 -15.273 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -11.509 0.854 -16.200 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -11.279 2.903 -15.381 1.00 0.00 N ATOM 0 H ASN A 97 -12.634 0.304 -11.280 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.210 -0.567 -13.795 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.334 0.754 -14.214 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.584 2.092 -13.366 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.823 3.221 -16.236 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.425 3.553 -14.609 1.00 0.00 H new ATOM 1511 N ILE A 98 -9.447 -0.092 -11.808 1.00 0.00 N ATOM 1512 CA ILE A 98 -8.128 0.291 -11.232 1.00 0.00 C ATOM 1513 C ILE A 98 -7.181 -0.861 -11.673 1.00 0.00 C ATOM 1514 O ILE A 98 -7.245 -1.975 -11.140 1.00 0.00 O ATOM 1515 CB ILE A 98 -8.115 0.534 -9.674 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -9.131 1.596 -9.143 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -6.698 0.956 -9.203 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -10.518 1.051 -8.770 1.00 0.00 C ATOM 0 H ILE A 98 -9.678 -1.077 -11.678 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.817 1.269 -11.600 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.422 -0.426 -9.259 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -8.701 2.079 -8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -9.255 2.368 -9.903 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.707 1.120 -8.125 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.985 0.168 -9.445 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.406 1.877 -9.708 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.146 1.868 -8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -10.978 0.596 -9.647 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -10.416 0.302 -7.984 1.00 0.00 H new ATOM 1530 N LYS A 99 -6.281 -0.554 -12.624 1.00 0.00 N ATOM 1531 CA LYS A 99 -5.249 -1.509 -13.108 1.00 0.00 C ATOM 1532 C LYS A 99 -3.999 -1.394 -12.186 1.00 0.00 C ATOM 1533 O LYS A 99 -3.137 -0.534 -12.384 1.00 0.00 O ATOM 1534 CB LYS A 99 -4.981 -1.171 -14.600 1.00 0.00 C ATOM 1535 CG LYS A 99 -3.906 -1.990 -15.353 1.00 0.00 C ATOM 1536 CD LYS A 99 -4.335 -3.341 -15.961 1.00 0.00 C ATOM 1537 CE LYS A 99 -4.371 -4.531 -14.983 1.00 0.00 C ATOM 1538 NZ LYS A 99 -4.657 -5.789 -15.696 1.00 0.00 N ATOM 0 H LYS A 99 -6.242 0.357 -13.081 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.563 -2.552 -13.060 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.921 -1.280 -15.140 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.700 -0.119 -14.658 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.513 -1.369 -16.158 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.083 -2.178 -14.664 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.326 -3.223 -16.398 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.654 -3.585 -16.776 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.415 -4.611 -14.466 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.132 -4.359 -14.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.676 -6.576 -15.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.580 -5.718 -16.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.917 -5.962 -16.406 1.00 0.00 H new ATOM 1552 N SER A 100 -3.950 -2.259 -11.158 1.00 0.00 N ATOM 1553 CA SER A 100 -2.983 -2.152 -10.039 1.00 0.00 C ATOM 1554 C SER A 100 -1.784 -3.092 -10.301 1.00 0.00 C ATOM 1555 O SER A 100 -1.887 -4.314 -10.159 1.00 0.00 O ATOM 1556 CB SER A 100 -3.721 -2.486 -8.727 1.00 0.00 C ATOM 1557 OG SER A 100 -2.864 -2.334 -7.602 1.00 0.00 O ATOM 0 H SER A 100 -4.580 -3.057 -11.075 1.00 0.00 H new ATOM 0 HA SER A 100 -2.583 -1.141 -9.956 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.588 -1.834 -8.618 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.095 -3.509 -8.767 1.00 0.00 H new ATOM 0 HG SER A 100 -3.357 -2.550 -6.783 1.00 0.00 H new ATOM 1563 N VAL A 101 -0.660 -2.486 -10.708 1.00 0.00 N ATOM 1564 CA VAL A 101 0.520 -3.216 -11.240 1.00 0.00 C ATOM 1565 C VAL A 101 1.694 -2.849 -10.286 1.00 0.00 C ATOM 1566 O VAL A 101 2.309 -1.786 -10.422 1.00 0.00 O ATOM 1567 CB VAL A 101 0.727 -2.826 -12.749 1.00 0.00 C ATOM 1568 CG1 VAL A 101 2.069 -3.301 -13.343 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -0.411 -3.344 -13.663 1.00 0.00 C ATOM 0 H VAL A 101 -0.534 -1.474 -10.681 1.00 0.00 H new ATOM 0 HA VAL A 101 0.418 -4.301 -11.252 1.00 0.00 H new ATOM 0 HB VAL A 101 0.723 -1.736 -12.730 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.135 -2.993 -14.386 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.892 -2.859 -12.782 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.130 -4.388 -13.281 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.215 -3.045 -14.693 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.459 -4.431 -13.604 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.361 -2.921 -13.337 1.00 0.00 H new ATOM 1579 N THR A 102 1.991 -3.743 -9.322 1.00 0.00 N ATOM 1580 CA THR A 102 3.010 -3.492 -8.267 1.00 0.00 C ATOM 1581 C THR A 102 4.350 -4.134 -8.726 1.00 0.00 C ATOM 1582 O THR A 102 4.550 -5.345 -8.598 1.00 0.00 O ATOM 1583 CB THR A 102 2.501 -4.011 -6.888 1.00 0.00 C ATOM 1584 OG1 THR A 102 1.232 -3.445 -6.572 1.00 0.00 O ATOM 1585 CG2 THR A 102 3.442 -3.690 -5.715 1.00 0.00 C ATOM 0 H THR A 102 1.539 -4.654 -9.247 1.00 0.00 H new ATOM 0 HA THR A 102 3.185 -2.425 -8.128 1.00 0.00 H new ATOM 0 HB THR A 102 2.446 -5.093 -7.003 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.279 -2.470 -6.656 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.019 -4.083 -4.791 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.415 -4.149 -5.893 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.561 -2.610 -5.629 1.00 0.00 H new ATOM 1593 N GLU A 103 5.253 -3.288 -9.254 1.00 0.00 N ATOM 1594 CA GLU A 103 6.584 -3.709 -9.763 1.00 0.00 C ATOM 1595 C GLU A 103 7.643 -3.589 -8.639 1.00 0.00 C ATOM 1596 O GLU A 103 7.790 -2.526 -8.029 1.00 0.00 O ATOM 1597 CB GLU A 103 6.975 -2.825 -10.992 1.00 0.00 C ATOM 1598 CG GLU A 103 7.009 -3.565 -12.346 1.00 0.00 C ATOM 1599 CD GLU A 103 5.632 -3.908 -12.929 1.00 0.00 C ATOM 1600 OE1 GLU A 103 4.856 -4.644 -12.278 1.00 0.00 O ATOM 1601 OE2 GLU A 103 5.324 -3.449 -14.050 1.00 0.00 O ATOM 0 H GLU A 103 5.085 -2.286 -9.343 1.00 0.00 H new ATOM 0 HA GLU A 103 6.541 -4.751 -10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.268 -1.998 -11.065 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.957 -2.389 -10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.549 -2.950 -13.066 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.576 -4.488 -12.225 1.00 0.00 H new ATOM 1608 N LEU A 104 8.410 -4.669 -8.413 1.00 0.00 N ATOM 1609 CA LEU A 104 9.509 -4.680 -7.416 1.00 0.00 C ATOM 1610 C LEU A 104 10.851 -4.427 -8.163 1.00 0.00 C ATOM 1611 O LEU A 104 11.318 -5.278 -8.928 1.00 0.00 O ATOM 1612 CB LEU A 104 9.508 -6.023 -6.623 1.00 0.00 C ATOM 1613 CG LEU A 104 9.991 -5.961 -5.148 1.00 0.00 C ATOM 1614 CD1 LEU A 104 10.084 -7.378 -4.564 1.00 0.00 C ATOM 1615 CD2 LEU A 104 11.333 -5.241 -4.931 1.00 0.00 C ATOM 0 H LEU A 104 8.293 -5.553 -8.907 1.00 0.00 H new ATOM 0 HA LEU A 104 9.371 -3.889 -6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.494 -6.423 -6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.137 -6.735 -7.158 1.00 0.00 H new ATOM 0 HG LEU A 104 9.240 -5.364 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 104 10.423 -7.324 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 104 9.103 -7.851 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.792 -7.966 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.584 -5.250 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.115 -5.752 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.253 -4.210 -5.276 1.00 0.00 H new ATOM 1627 N ASN A 105 11.455 -3.250 -7.922 1.00 0.00 N ATOM 1628 CA ASN A 105 12.802 -2.890 -8.455 1.00 0.00 C ATOM 1629 C ASN A 105 13.852 -2.828 -7.293 1.00 0.00 C ATOM 1630 O ASN A 105 13.541 -3.090 -6.125 1.00 0.00 O ATOM 1631 CB ASN A 105 12.660 -1.586 -9.301 1.00 0.00 C ATOM 1632 CG ASN A 105 12.119 -1.782 -10.733 1.00 0.00 C ATOM 1633 OD1 ASN A 105 12.882 -1.903 -11.690 1.00 0.00 O ATOM 1634 ND2 ASN A 105 10.807 -1.815 -10.917 1.00 0.00 N ATOM 0 H ASN A 105 11.033 -2.515 -7.354 1.00 0.00 H new ATOM 0 HA ASN A 105 13.192 -3.655 -9.126 1.00 0.00 H new ATOM 0 HB2 ASN A 105 11.999 -0.900 -8.772 1.00 0.00 H new ATOM 0 HB3 ASN A 105 13.636 -1.105 -9.362 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.427 -1.941 -11.855 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.178 -1.714 -10.121 1.00 0.00 H new ATOM 1641 N GLY A 106 15.127 -2.542 -7.628 1.00 0.00 N ATOM 1642 CA GLY A 106 16.268 -2.741 -6.701 1.00 0.00 C ATOM 1643 C GLY A 106 16.322 -1.818 -5.472 1.00 0.00 C ATOM 1644 O GLY A 106 16.481 -0.599 -5.583 1.00 0.00 O ATOM 0 H GLY A 106 15.397 -2.170 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 106 16.248 -3.773 -6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 106 17.192 -2.613 -7.265 1.00 0.00 H new ATOM 1648 N ASP A 107 16.132 -2.456 -4.309 1.00 0.00 N ATOM 1649 CA ASP A 107 15.848 -1.799 -3.002 1.00 0.00 C ATOM 1650 C ASP A 107 14.697 -0.734 -2.965 1.00 0.00 C ATOM 1651 O ASP A 107 14.690 0.145 -2.102 1.00 0.00 O ATOM 1652 CB ASP A 107 17.156 -1.329 -2.310 1.00 0.00 C ATOM 1653 CG ASP A 107 18.179 -2.425 -1.965 1.00 0.00 C ATOM 1654 OD1 ASP A 107 18.009 -3.103 -0.927 1.00 0.00 O ATOM 1655 OD2 ASP A 107 19.149 -2.611 -2.732 1.00 0.00 O ATOM 0 H ASP A 107 16.170 -3.473 -4.237 1.00 0.00 H new ATOM 0 HA ASP A 107 15.408 -2.595 -2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 107 17.642 -0.600 -2.958 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.888 -0.810 -1.390 1.00 0.00 H new ATOM 1660 N ILE A 108 13.716 -0.834 -3.881 1.00 0.00 N ATOM 1661 CA ILE A 108 12.554 0.090 -3.971 1.00 0.00 C ATOM 1662 C ILE A 108 11.251 -0.722 -4.285 1.00 0.00 C ATOM 1663 O ILE A 108 11.265 -1.951 -4.416 1.00 0.00 O ATOM 1664 CB ILE A 108 12.819 1.274 -4.968 1.00 0.00 C ATOM 1665 CG1 ILE A 108 13.011 0.829 -6.442 1.00 0.00 C ATOM 1666 CG2 ILE A 108 13.948 2.243 -4.556 1.00 0.00 C ATOM 1667 CD1 ILE A 108 12.297 1.761 -7.429 1.00 0.00 C ATOM 0 H ILE A 108 13.701 -1.566 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 108 12.406 0.571 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 108 11.887 1.835 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.075 0.803 -6.676 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.632 -0.186 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 108 14.051 3.023 -5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.706 2.697 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.886 1.694 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.461 1.408 -8.447 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.228 1.768 -7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.693 2.771 -7.327 1.00 0.00 H new ATOM 1679 N ILE A 109 10.107 -0.025 -4.431 1.00 0.00 N ATOM 1680 CA ILE A 109 8.861 -0.626 -4.977 1.00 0.00 C ATOM 1681 C ILE A 109 8.038 0.486 -5.693 1.00 0.00 C ATOM 1682 O ILE A 109 7.745 1.534 -5.105 1.00 0.00 O ATOM 1683 CB ILE A 109 8.072 -1.445 -3.892 1.00 0.00 C ATOM 1684 CG1 ILE A 109 7.096 -2.468 -4.533 1.00 0.00 C ATOM 1685 CG2 ILE A 109 7.370 -0.576 -2.813 1.00 0.00 C ATOM 1686 CD1 ILE A 109 6.666 -3.598 -3.591 1.00 0.00 C ATOM 0 H ILE A 109 10.014 0.959 -4.179 1.00 0.00 H new ATOM 0 HA ILE A 109 9.103 -1.377 -5.729 1.00 0.00 H new ATOM 0 HB ILE A 109 8.837 -2.002 -3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.207 -1.939 -4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.569 -2.903 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.850 -1.223 -2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 109 8.115 0.017 -2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.651 0.089 -3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 109 5.985 -4.269 -4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.545 -4.154 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.162 -3.175 -2.722 1.00 0.00 H new ATOM 1698 N THR A 110 7.654 0.225 -6.955 1.00 0.00 N ATOM 1699 CA THR A 110 6.882 1.186 -7.787 1.00 0.00 C ATOM 1700 C THR A 110 5.452 0.605 -7.987 1.00 0.00 C ATOM 1701 O THR A 110 5.255 -0.312 -8.790 1.00 0.00 O ATOM 1702 CB THR A 110 7.631 1.454 -9.126 1.00 0.00 C ATOM 1703 OG1 THR A 110 8.964 1.893 -8.878 1.00 0.00 O ATOM 1704 CG2 THR A 110 6.963 2.523 -10.008 1.00 0.00 C ATOM 0 H THR A 110 7.865 -0.652 -7.432 1.00 0.00 H new ATOM 0 HA THR A 110 6.789 2.155 -7.297 1.00 0.00 H new ATOM 0 HB THR A 110 7.608 0.501 -9.654 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.419 2.055 -9.731 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.542 2.654 -10.922 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.952 2.206 -10.261 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.922 3.468 -9.466 1.00 0.00 H new ATOM 1712 N ASN A 111 4.461 1.167 -7.271 1.00 0.00 N ATOM 1713 CA ASN A 111 3.030 0.778 -7.410 1.00 0.00 C ATOM 1714 C ASN A 111 2.342 1.728 -8.427 1.00 0.00 C ATOM 1715 O ASN A 111 2.145 2.916 -8.148 1.00 0.00 O ATOM 1716 CB ASN A 111 2.355 0.788 -6.015 1.00 0.00 C ATOM 1717 CG ASN A 111 0.864 0.379 -5.986 1.00 0.00 C ATOM 1718 OD1 ASN A 111 0.465 -0.654 -6.521 1.00 0.00 O ATOM 1719 ND2 ASN A 111 0.015 1.185 -5.369 1.00 0.00 N ATOM 0 H ASN A 111 4.620 1.901 -6.581 1.00 0.00 H new ATOM 0 HA ASN A 111 2.935 -0.235 -7.800 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.909 0.117 -5.359 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.446 1.790 -5.596 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.977 0.951 -5.335 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.353 2.040 -4.927 1.00 0.00 H new ATOM 1726 N THR A 112 1.971 1.171 -9.595 1.00 0.00 N ATOM 1727 CA THR A 112 1.385 1.951 -10.715 1.00 0.00 C ATOM 1728 C THR A 112 -0.119 1.572 -10.836 1.00 0.00 C ATOM 1729 O THR A 112 -0.461 0.527 -11.399 1.00 0.00 O ATOM 1730 CB THR A 112 2.204 1.740 -12.022 1.00 0.00 C ATOM 1731 OG1 THR A 112 3.581 2.038 -11.799 1.00 0.00 O ATOM 1732 CG2 THR A 112 1.744 2.628 -13.191 1.00 0.00 C ATOM 0 H THR A 112 2.066 0.175 -9.794 1.00 0.00 H new ATOM 0 HA THR A 112 1.440 3.022 -10.522 1.00 0.00 H new ATOM 0 HB THR A 112 2.045 0.695 -12.290 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.084 1.899 -12.628 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.361 2.425 -14.067 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.701 2.412 -13.424 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.844 3.677 -12.912 1.00 0.00 H new ATOM 1740 N MET A 113 -1.001 2.444 -10.313 1.00 0.00 N ATOM 1741 CA MET A 113 -2.477 2.251 -10.366 1.00 0.00 C ATOM 1742 C MET A 113 -3.070 3.227 -11.418 1.00 0.00 C ATOM 1743 O MET A 113 -3.213 4.426 -11.153 1.00 0.00 O ATOM 1744 CB MET A 113 -3.127 2.477 -8.977 1.00 0.00 C ATOM 1745 CG MET A 113 -2.845 1.401 -7.920 1.00 0.00 C ATOM 1746 SD MET A 113 -3.714 1.837 -6.398 1.00 0.00 S ATOM 1747 CE MET A 113 -3.986 0.206 -5.679 1.00 0.00 C ATOM 0 H MET A 113 -0.719 3.303 -9.841 1.00 0.00 H new ATOM 0 HA MET A 113 -2.693 1.222 -10.655 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.785 3.437 -8.590 1.00 0.00 H new ATOM 0 HB3 MET A 113 -4.206 2.553 -9.111 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.176 0.426 -8.277 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.774 1.326 -7.734 1.00 0.00 H new ATOM 0 HE1 MET A 113 -4.514 0.310 -4.731 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.582 -0.398 -6.363 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.026 -0.281 -5.508 1.00 0.00 H new ATOM 1757 N THR A 114 -3.421 2.704 -12.609 1.00 0.00 N ATOM 1758 CA THR A 114 -3.975 3.535 -13.717 1.00 0.00 C ATOM 1759 C THR A 114 -5.530 3.470 -13.685 1.00 0.00 C ATOM 1760 O THR A 114 -6.138 2.466 -14.072 1.00 0.00 O ATOM 1761 CB THR A 114 -3.368 3.198 -15.112 1.00 0.00 C ATOM 1762 OG1 THR A 114 -3.603 1.849 -15.487 1.00 0.00 O ATOM 1763 CG2 THR A 114 -1.859 3.469 -15.224 1.00 0.00 C ATOM 0 H THR A 114 -3.334 1.713 -12.837 1.00 0.00 H new ATOM 0 HA THR A 114 -3.673 4.569 -13.550 1.00 0.00 H new ATOM 0 HB THR A 114 -3.886 3.876 -15.790 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.208 1.681 -16.368 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.516 3.208 -16.225 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.664 4.525 -15.037 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.326 2.866 -14.489 1.00 0.00 H new ATOM 1771 N LEU A 115 -6.149 4.572 -13.219 1.00 0.00 N ATOM 1772 CA LEU A 115 -7.625 4.760 -13.204 1.00 0.00 C ATOM 1773 C LEU A 115 -8.016 5.575 -14.471 1.00 0.00 C ATOM 1774 O LEU A 115 -8.120 6.806 -14.425 1.00 0.00 O ATOM 1775 CB LEU A 115 -7.982 5.437 -11.843 1.00 0.00 C ATOM 1776 CG LEU A 115 -9.412 6.004 -11.609 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -10.533 4.957 -11.740 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -9.484 6.689 -10.229 1.00 0.00 C ATOM 0 H LEU A 115 -5.639 5.369 -12.837 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.196 3.833 -13.257 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -7.790 4.707 -11.057 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.280 6.257 -11.694 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.586 6.728 -12.405 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.498 5.433 -11.563 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.518 4.531 -12.743 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -10.379 4.165 -11.007 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.488 7.084 -10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.253 5.963 -9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.762 7.505 -10.190 1.00 0.00 H new ATOM 1790 N GLY A 116 -8.198 4.874 -15.609 1.00 0.00 N ATOM 1791 CA GLY A 116 -8.512 5.514 -16.909 1.00 0.00 C ATOM 1792 C GLY A 116 -7.332 6.310 -17.508 1.00 0.00 C ATOM 1793 O GLY A 116 -6.379 5.722 -18.028 1.00 0.00 O ATOM 0 H GLY A 116 -8.133 3.857 -15.656 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.818 4.745 -17.618 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.362 6.184 -16.779 1.00 0.00 H new ATOM 1797 N ASP A 117 -7.416 7.644 -17.389 1.00 0.00 N ATOM 1798 CA ASP A 117 -6.295 8.576 -17.731 1.00 0.00 C ATOM 1799 C ASP A 117 -5.386 8.998 -16.523 1.00 0.00 C ATOM 1800 O ASP A 117 -4.284 9.501 -16.766 1.00 0.00 O ATOM 1801 CB ASP A 117 -6.862 9.843 -18.431 1.00 0.00 C ATOM 1802 CG ASP A 117 -7.511 9.607 -19.806 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -6.777 9.514 -20.815 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -8.756 9.508 -19.880 1.00 0.00 O ATOM 0 H ASP A 117 -8.254 8.120 -17.055 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.643 8.013 -18.399 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.602 10.300 -17.773 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.053 10.564 -18.550 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.814 8.809 -15.254 1.00 0.00 N ATOM 1810 CA ILE A 118 -5.058 9.222 -14.037 1.00 0.00 C ATOM 1811 C ILE A 118 -3.968 8.139 -13.770 1.00 0.00 C ATOM 1812 O ILE A 118 -4.301 6.999 -13.435 1.00 0.00 O ATOM 1813 CB ILE A 118 -6.053 9.408 -12.831 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -7.111 10.536 -13.058 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -5.316 9.665 -11.490 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -8.351 10.464 -12.153 1.00 0.00 C ATOM 0 H ILE A 118 -6.704 8.360 -15.038 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.562 10.183 -14.173 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.584 8.458 -12.773 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -6.627 11.501 -12.908 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.437 10.502 -14.097 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.047 9.786 -10.691 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.667 8.819 -11.263 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.715 10.571 -11.573 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -9.022 11.290 -12.389 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.867 9.518 -12.318 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -8.044 10.533 -11.109 1.00 0.00 H new ATOM 1828 N VAL A 119 -2.682 8.518 -13.896 1.00 0.00 N ATOM 1829 CA VAL A 119 -1.541 7.580 -13.689 1.00 0.00 C ATOM 1830 C VAL A 119 -0.960 7.874 -12.274 1.00 0.00 C ATOM 1831 O VAL A 119 -0.091 8.739 -12.118 1.00 0.00 O ATOM 1832 CB VAL A 119 -0.479 7.675 -14.843 1.00 0.00 C ATOM 1833 CG1 VAL A 119 0.699 6.688 -14.650 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -1.064 7.440 -16.258 1.00 0.00 C ATOM 0 H VAL A 119 -2.398 9.467 -14.140 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.876 6.544 -13.730 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.124 8.704 -14.777 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.403 6.796 -15.475 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.206 6.906 -13.710 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.318 5.667 -14.629 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -0.269 7.522 -16.999 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.506 6.445 -16.308 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.830 8.188 -16.464 1.00 0.00 H new ATOM 1844 N PHE A 120 -1.413 7.106 -11.263 1.00 0.00 N ATOM 1845 CA PHE A 120 -0.801 7.108 -9.909 1.00 0.00 C ATOM 1846 C PHE A 120 0.509 6.284 -9.933 1.00 0.00 C ATOM 1847 O PHE A 120 0.502 5.134 -10.375 1.00 0.00 O ATOM 1848 CB PHE A 120 -1.825 6.571 -8.872 1.00 0.00 C ATOM 1849 CG PHE A 120 -1.367 6.559 -7.398 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -1.142 7.762 -6.722 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -1.143 5.349 -6.730 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -0.693 7.758 -5.406 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -0.710 5.346 -5.408 1.00 0.00 C ATOM 1854 CZ PHE A 120 -0.482 6.551 -4.747 1.00 0.00 C ATOM 0 H PHE A 120 -2.206 6.471 -11.355 1.00 0.00 H new ATOM 0 HA PHE A 120 -0.541 8.123 -9.610 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -2.731 7.173 -8.943 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -2.095 5.553 -9.154 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -1.318 8.701 -7.226 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.307 4.413 -7.244 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -0.508 8.692 -4.896 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -0.551 4.410 -4.894 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.141 6.548 -3.722 1.00 0.00 H new ATOM 1864 N LYS A 121 1.611 6.889 -9.464 1.00 0.00 N ATOM 1865 CA LYS A 121 2.937 6.215 -9.417 1.00 0.00 C ATOM 1866 C LYS A 121 3.599 6.535 -8.046 1.00 0.00 C ATOM 1867 O LYS A 121 4.015 7.667 -7.785 1.00 0.00 O ATOM 1868 CB LYS A 121 3.788 6.633 -10.646 1.00 0.00 C ATOM 1869 CG LYS A 121 5.013 5.732 -10.905 1.00 0.00 C ATOM 1870 CD LYS A 121 5.871 6.234 -12.084 1.00 0.00 C ATOM 1871 CE LYS A 121 7.150 5.405 -12.286 1.00 0.00 C ATOM 1872 NZ LYS A 121 7.981 5.948 -13.375 1.00 0.00 N ATOM 0 H LYS A 121 1.620 7.845 -9.109 1.00 0.00 H new ATOM 0 HA LYS A 121 2.840 5.131 -9.485 1.00 0.00 H new ATOM 0 HB2 LYS A 121 3.153 6.627 -11.532 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.129 7.659 -10.505 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.626 5.689 -10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.677 4.716 -11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.277 6.206 -12.998 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.142 7.276 -11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.725 5.391 -11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 121 6.883 4.372 -12.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 8.835 5.365 -13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.440 5.938 -14.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.256 6.925 -13.148 1.00 0.00 H new ATOM 1886 N ARG A 122 3.680 5.508 -7.185 1.00 0.00 N ATOM 1887 CA ARG A 122 4.161 5.629 -5.783 1.00 0.00 C ATOM 1888 C ARG A 122 5.535 4.916 -5.677 1.00 0.00 C ATOM 1889 O ARG A 122 5.609 3.686 -5.739 1.00 0.00 O ATOM 1890 CB ARG A 122 3.068 4.985 -4.887 1.00 0.00 C ATOM 1891 CG ARG A 122 3.330 5.047 -3.369 1.00 0.00 C ATOM 1892 CD ARG A 122 2.275 4.359 -2.473 1.00 0.00 C ATOM 1893 NE ARG A 122 2.065 2.899 -2.684 1.00 0.00 N ATOM 1894 CZ ARG A 122 2.929 1.926 -2.329 1.00 0.00 C ATOM 1895 NH1 ARG A 122 4.150 2.149 -1.853 1.00 0.00 N ATOM 1896 NH2 ARG A 122 2.544 0.671 -2.469 1.00 0.00 N ATOM 0 H ARG A 122 3.413 4.557 -7.437 1.00 0.00 H new ATOM 0 HA ARG A 122 4.314 6.659 -5.462 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.118 5.477 -5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.956 3.940 -5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 122 4.300 4.593 -3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 122 3.401 6.094 -3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.559 4.515 -1.432 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.321 4.865 -2.622 1.00 0.00 H new ATOM 0 HE ARG A 122 1.196 2.612 -3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.485 3.105 -1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.752 1.364 -1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.616 0.460 -2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.174 -0.088 -2.210 1.00 0.00 H new ATOM 1910 N ILE A 123 6.608 5.708 -5.499 1.00 0.00 N ATOM 1911 CA ILE A 123 8.003 5.193 -5.429 1.00 0.00 C ATOM 1912 C ILE A 123 8.377 5.248 -3.919 1.00 0.00 C ATOM 1913 O ILE A 123 8.443 6.331 -3.328 1.00 0.00 O ATOM 1914 CB ILE A 123 9.001 5.984 -6.354 1.00 0.00 C ATOM 1915 CG1 ILE A 123 8.640 5.997 -7.875 1.00 0.00 C ATOM 1916 CG2 ILE A 123 10.444 5.423 -6.230 1.00 0.00 C ATOM 1917 CD1 ILE A 123 7.598 7.033 -8.326 1.00 0.00 C ATOM 0 H ILE A 123 6.541 6.721 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 123 8.075 4.176 -5.815 1.00 0.00 H new ATOM 0 HB ILE A 123 8.924 7.008 -5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.556 6.166 -8.441 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.276 5.006 -8.147 1.00 0.00 H new ATOM 0 HG21 ILE A 123 11.111 5.989 -6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 123 10.782 5.512 -5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.453 4.374 -6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.435 6.941 -9.400 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.660 6.858 -7.800 1.00 0.00 H new ATOM 0 HD13 ILE A 123 7.960 8.036 -8.099 1.00 0.00 H new ATOM 1929 N SER A 124 8.613 4.068 -3.323 1.00 0.00 N ATOM 1930 CA SER A 124 8.886 3.930 -1.869 1.00 0.00 C ATOM 1931 C SER A 124 10.135 3.030 -1.667 1.00 0.00 C ATOM 1932 O SER A 124 10.167 1.881 -2.115 1.00 0.00 O ATOM 1933 CB SER A 124 7.646 3.339 -1.161 1.00 0.00 C ATOM 1934 OG SER A 124 6.522 4.206 -1.258 1.00 0.00 O ATOM 0 H SER A 124 8.622 3.181 -3.827 1.00 0.00 H new ATOM 0 HA SER A 124 9.090 4.907 -1.430 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.400 2.373 -1.603 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.877 3.159 -0.111 1.00 0.00 H new ATOM 0 HG SER A 124 5.872 3.978 -0.561 1.00 0.00 H new ATOM 1940 N LYS A 125 11.166 3.566 -0.989 1.00 0.00 N ATOM 1941 CA LYS A 125 12.496 2.918 -0.863 1.00 0.00 C ATOM 1942 C LYS A 125 12.605 2.126 0.468 1.00 0.00 C ATOM 1943 O LYS A 125 12.206 2.601 1.537 1.00 0.00 O ATOM 1944 CB LYS A 125 13.579 4.019 -1.034 1.00 0.00 C ATOM 1945 CG LYS A 125 15.053 3.545 -0.964 1.00 0.00 C ATOM 1946 CD LYS A 125 16.044 4.249 -1.919 1.00 0.00 C ATOM 1947 CE LYS A 125 16.172 5.780 -1.808 1.00 0.00 C ATOM 1948 NZ LYS A 125 16.769 6.220 -0.532 1.00 0.00 N ATOM 0 H LYS A 125 11.106 4.464 -0.509 1.00 0.00 H new ATOM 0 HA LYS A 125 12.647 2.171 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 125 13.422 4.508 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.425 4.774 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 125 15.408 3.680 0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.079 2.475 -1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 125 17.031 3.816 -1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 125 15.754 4.009 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.781 6.148 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 125 15.185 6.230 -1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 16.829 7.258 -0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.176 5.896 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 17.723 5.817 -0.438 1.00 0.00 H new ATOM 1962 N ARG A 126 13.193 0.920 0.372 1.00 0.00 N ATOM 1963 CA ARG A 126 13.319 -0.040 1.492 1.00 0.00 C ATOM 1964 C ARG A 126 14.191 0.501 2.670 1.00 0.00 C ATOM 1965 O ARG A 126 15.349 0.889 2.483 1.00 0.00 O ATOM 1966 CB ARG A 126 13.912 -1.351 0.910 1.00 0.00 C ATOM 1967 CG ARG A 126 13.665 -2.601 1.786 1.00 0.00 C ATOM 1968 CD ARG A 126 14.655 -3.753 1.534 1.00 0.00 C ATOM 1969 NE ARG A 126 15.975 -3.474 2.157 1.00 0.00 N ATOM 1970 CZ ARG A 126 17.029 -4.311 2.131 1.00 0.00 C ATOM 1971 NH1 ARG A 126 17.029 -5.493 1.518 1.00 0.00 N ATOM 1972 NH2 ARG A 126 18.131 -3.935 2.754 1.00 0.00 N ATOM 0 H ARG A 126 13.601 0.576 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 126 12.334 -0.213 1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.484 -1.523 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.986 -1.222 0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.720 -2.312 2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.652 -2.962 1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.248 -4.680 1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.780 -3.900 0.461 1.00 0.00 H new ATOM 0 HE ARG A 126 16.091 -2.583 2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.194 -5.814 1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.864 -6.078 1.538 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.164 -3.036 3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.949 -4.544 2.755 1.00 0.00 H new ATOM 1986 N ILE A 127 13.588 0.512 3.867 1.00 0.00 N ATOM 1987 CA ILE A 127 14.215 1.016 5.119 1.00 0.00 C ATOM 1988 C ILE A 127 14.497 -0.180 6.052 1.00 0.00 C ATOM 1989 O ILE A 127 13.621 -0.965 6.421 1.00 0.00 O ATOM 1990 CB ILE A 127 13.392 2.164 5.805 1.00 0.00 C ATOM 1991 CG1 ILE A 127 11.885 1.844 6.064 1.00 0.00 C ATOM 1992 CG2 ILE A 127 13.547 3.495 5.027 1.00 0.00 C ATOM 1993 CD1 ILE A 127 11.200 2.702 7.136 1.00 0.00 C ATOM 0 H ILE A 127 12.638 0.168 4.006 1.00 0.00 H new ATOM 0 HA ILE A 127 15.163 1.492 4.870 1.00 0.00 H new ATOM 0 HB ILE A 127 13.830 2.263 6.798 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.341 1.962 5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.799 0.796 6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.968 4.275 5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 127 14.598 3.783 5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.184 3.365 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 127 10.158 2.397 7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 127 11.710 2.568 8.090 1.00 0.00 H new ATOM 0 HD13 ILE A 127 11.245 3.752 6.845 1.00 0.00 H new