USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 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 77 GLN : amide:sc= 1.19 K(o=2.1,f=-0.3) USER MOD Set 1.2: A 88 ASN : amide:sc= 0.937 K(o=2.1,f=-3.8!) USER MOD Set 2.1: A 39 GLN : amide:sc= 0.815 K(o=2,f=-9.1!) USER MOD Set 2.2: A 57 LYS NZ :NH3+ 161:sc= 1.21 (180deg=0) USER MOD Set 3.1: A 33 GLN : amide:sc= 1.01 K(o=3.5,f=-7.6!) USER MOD Set 3.2: A 35 LYS NZ :NH3+ 150:sc= 2.47 (180deg=-0.0661) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.173 K(o=0.17,f=-3.9!) USER MOD Single : A 36 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.8!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 150:sc= -0.085 USER MOD Single : A 50 THR OG1 : rot 70:sc= -0.473! USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.19) USER MOD Single : A 59 SER OG : rot -42:sc= 1.09 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 88:sc= 1.29 USER MOD Single : A 74 CYS SG : rot 180:sc= 0.166 USER MOD Single : A 86 HIS : no HE2:sc= -0.744 X(o=-0.74,f=-0.4) USER MOD Single : A 91 MET CE :methyl -139:sc= -0.0169 (180deg=-1.28) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot -39:sc= 0.842 USER MOD Single : A 119 LYS NZ :NH3+ 153:sc= 1.27 (180deg=1.2) USER MOD Single : A 120 MET CE :methyl -140:sc= -0.226 (180deg=-0.91) USER MOD ----------------------------------------------------------------- ATOM 41 N GLN A 30 6.035 9.972 0.799 1.00 0.00 N ATOM 42 CA GLN A 30 7.011 8.981 1.239 1.00 0.00 C ATOM 43 C GLN A 30 7.533 8.160 0.061 1.00 0.00 C ATOM 44 O GLN A 30 6.759 7.628 -0.737 1.00 0.00 O ATOM 45 CB GLN A 30 6.393 8.051 2.286 1.00 0.00 C ATOM 46 CG GLN A 30 7.103 8.089 3.632 1.00 0.00 C ATOM 47 CD GLN A 30 8.477 7.447 3.589 1.00 0.00 C ATOM 48 OE1 GLN A 30 9.435 8.032 3.094 1.00 0.00 O ATOM 49 NE2 GLN A 30 8.580 6.235 4.108 1.00 0.00 N ATOM 0 HA GLN A 30 7.850 9.515 1.685 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.347 8.323 2.429 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.408 7.030 1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.201 9.125 3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.491 7.578 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.760 5.781 4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.479 5.754 4.106 1.00 0.00 H new ATOM 58 N LYS A 31 8.851 8.058 -0.041 1.00 0.00 N ATOM 59 CA LYS A 31 9.480 7.301 -1.118 1.00 0.00 C ATOM 60 C LYS A 31 9.731 5.854 -0.696 1.00 0.00 C ATOM 61 O LYS A 31 10.357 5.595 0.332 1.00 0.00 O ATOM 62 CB LYS A 31 10.799 7.962 -1.528 1.00 0.00 C ATOM 63 CG LYS A 31 11.059 7.930 -3.026 1.00 0.00 C ATOM 64 CD LYS A 31 11.977 9.064 -3.458 1.00 0.00 C ATOM 65 CE LYS A 31 11.187 10.243 -4.004 1.00 0.00 C ATOM 66 NZ LYS A 31 12.058 11.423 -4.265 1.00 0.00 N ATOM 0 H LYS A 31 9.507 8.490 0.609 1.00 0.00 H new ATOM 0 HA LYS A 31 8.801 7.297 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.796 8.999 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.621 7.462 -1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.507 6.974 -3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.113 8.002 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.579 9.390 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.668 8.704 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.688 9.949 -4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.407 10.518 -3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.481 12.205 -4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.515 11.720 -3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.787 11.169 -4.962 1.00 0.00 H new ATOM 80 N ALA A 32 9.227 4.914 -1.491 1.00 0.00 N ATOM 81 CA ALA A 32 9.403 3.494 -1.205 1.00 0.00 C ATOM 82 C ALA A 32 10.851 3.060 -1.432 1.00 0.00 C ATOM 83 O ALA A 32 11.555 3.623 -2.272 1.00 0.00 O ATOM 84 CB ALA A 32 8.461 2.664 -2.060 1.00 0.00 C ATOM 0 H ALA A 32 8.694 5.110 -2.338 1.00 0.00 H new ATOM 0 HA ALA A 32 9.164 3.329 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.603 1.607 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.430 2.945 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.673 2.844 -3.114 1.00 0.00 H new ATOM 90 N GLN A 33 11.287 2.048 -0.690 1.00 0.00 N ATOM 91 CA GLN A 33 12.657 1.554 -0.809 1.00 0.00 C ATOM 92 C GLN A 33 12.811 0.617 -2.009 1.00 0.00 C ATOM 93 O GLN A 33 11.932 -0.199 -2.298 1.00 0.00 O ATOM 94 CB GLN A 33 13.089 0.850 0.485 1.00 0.00 C ATOM 95 CG GLN A 33 12.414 -0.493 0.725 1.00 0.00 C ATOM 96 CD GLN A 33 12.676 -1.044 2.113 1.00 0.00 C ATOM 97 OE1 GLN A 33 13.216 -2.136 2.271 1.00 0.00 O ATOM 98 NE2 GLN A 33 12.292 -0.294 3.134 1.00 0.00 N ATOM 0 H GLN A 33 10.717 1.555 -0.003 1.00 0.00 H new ATOM 0 HA GLN A 33 13.308 2.413 -0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.169 0.701 0.460 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.877 1.506 1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.339 -0.385 0.579 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.766 -1.209 -0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.846 0.608 2.965 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.442 -0.618 4.090 1.00 0.00 H new ATOM 107 N GLN A 34 13.929 0.753 -2.712 1.00 0.00 N ATOM 108 CA GLN A 34 14.208 -0.080 -3.878 1.00 0.00 C ATOM 109 C GLN A 34 15.077 -1.279 -3.493 1.00 0.00 C ATOM 110 O GLN A 34 16.225 -1.119 -3.077 1.00 0.00 O ATOM 111 CB GLN A 34 14.906 0.741 -4.968 1.00 0.00 C ATOM 112 CG GLN A 34 14.267 2.101 -5.218 1.00 0.00 C ATOM 113 CD GLN A 34 15.070 3.242 -4.624 1.00 0.00 C ATOM 114 OE1 GLN A 34 15.428 3.221 -3.449 1.00 0.00 O ATOM 115 NE2 GLN A 34 15.356 4.251 -5.431 1.00 0.00 N ATOM 0 H GLN A 34 14.658 1.432 -2.496 1.00 0.00 H new ATOM 0 HA GLN A 34 13.258 -0.448 -4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.949 0.886 -4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.902 0.172 -5.897 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.161 2.257 -6.292 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.263 2.110 -4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.042 4.233 -6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.891 5.047 -5.083 1.00 0.00 H new ATOM 124 N LYS A 35 14.518 -2.474 -3.629 1.00 0.00 N ATOM 125 CA LYS A 35 15.235 -3.703 -3.300 1.00 0.00 C ATOM 126 C LYS A 35 15.899 -4.310 -4.544 1.00 0.00 C ATOM 127 O LYS A 35 16.273 -3.592 -5.473 1.00 0.00 O ATOM 128 CB LYS A 35 14.277 -4.715 -2.659 1.00 0.00 C ATOM 129 CG LYS A 35 13.423 -4.131 -1.542 1.00 0.00 C ATOM 130 CD LYS A 35 13.989 -4.462 -0.168 1.00 0.00 C ATOM 131 CE LYS A 35 13.030 -5.320 0.644 1.00 0.00 C ATOM 132 NZ LYS A 35 12.863 -4.807 2.033 1.00 0.00 N ATOM 0 H LYS A 35 13.567 -2.621 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 35 16.023 -3.457 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.622 -5.120 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.856 -5.549 -2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.361 -3.049 -1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.407 -4.519 -1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.938 -4.986 -0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.197 -3.538 0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.060 -5.348 0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.400 -6.345 0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.911 -5.043 2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.574 -5.245 2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.988 -3.775 2.039 1.00 0.00 H new ATOM 146 N ASN A 36 16.031 -5.634 -4.565 1.00 0.00 N ATOM 147 CA ASN A 36 16.664 -6.327 -5.689 1.00 0.00 C ATOM 148 C ASN A 36 15.685 -6.578 -6.842 1.00 0.00 C ATOM 149 O ASN A 36 15.211 -7.697 -7.036 1.00 0.00 O ATOM 150 CB ASN A 36 17.264 -7.654 -5.215 1.00 0.00 C ATOM 151 CG ASN A 36 18.723 -7.798 -5.596 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.223 -7.096 -6.470 1.00 0.00 O ATOM 153 ND2 ASN A 36 19.420 -8.713 -4.941 1.00 0.00 N ATOM 0 H ASN A 36 15.709 -6.250 -3.818 1.00 0.00 H new ATOM 0 HA ASN A 36 17.454 -5.679 -6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.165 -7.728 -4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.696 -8.480 -5.644 1.00 0.00 H new ATOM 0 HD21 ASN A 36 20.407 -8.853 -5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 36 18.970 -9.278 -4.221 1.00 0.00 H new ATOM 160 N GLY A 37 15.381 -5.528 -7.602 1.00 0.00 N ATOM 161 CA GLY A 37 14.476 -5.663 -8.738 1.00 0.00 C ATOM 162 C GLY A 37 13.027 -5.323 -8.417 1.00 0.00 C ATOM 163 O GLY A 37 12.184 -5.290 -9.311 1.00 0.00 O ATOM 0 H GLY A 37 15.743 -4.586 -7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.821 -5.015 -9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.525 -6.687 -9.109 1.00 0.00 H new ATOM 167 N TYR A 38 12.736 -5.070 -7.145 1.00 0.00 N ATOM 168 CA TYR A 38 11.379 -4.737 -6.717 1.00 0.00 C ATOM 169 C TYR A 38 11.400 -3.673 -5.621 1.00 0.00 C ATOM 170 O TYR A 38 12.422 -3.467 -4.973 1.00 0.00 O ATOM 171 CB TYR A 38 10.643 -5.997 -6.229 1.00 0.00 C ATOM 172 CG TYR A 38 11.294 -6.692 -5.048 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.385 -7.534 -5.225 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.808 -6.511 -3.759 1.00 0.00 C ATOM 175 CE1 TYR A 38 12.975 -8.173 -4.152 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.392 -7.148 -2.681 1.00 0.00 C ATOM 177 CZ TYR A 38 12.475 -7.978 -2.882 1.00 0.00 C ATOM 178 OH TYR A 38 13.058 -8.612 -1.810 1.00 0.00 O ATOM 0 H TYR A 38 13.422 -5.089 -6.390 1.00 0.00 H new ATOM 0 HA TYR A 38 10.842 -4.332 -7.575 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.624 -5.723 -5.956 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.573 -6.704 -7.056 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.778 -7.691 -6.218 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.960 -5.862 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.824 -8.822 -4.307 1.00 0.00 H new ATOM 0 HE2 TYR A 38 11.002 -6.997 -1.685 1.00 0.00 H new ATOM 0 HH TYR A 38 12.585 -8.366 -0.988 1.00 0.00 H new ATOM 188 N GLN A 39 10.278 -2.994 -5.417 1.00 0.00 N ATOM 189 CA GLN A 39 10.199 -1.952 -4.390 1.00 0.00 C ATOM 190 C GLN A 39 9.316 -2.385 -3.222 1.00 0.00 C ATOM 191 O GLN A 39 8.451 -3.251 -3.365 1.00 0.00 O ATOM 192 CB GLN A 39 9.673 -0.637 -4.971 1.00 0.00 C ATOM 193 CG GLN A 39 9.948 -0.456 -6.456 1.00 0.00 C ATOM 194 CD GLN A 39 10.825 0.748 -6.747 1.00 0.00 C ATOM 195 OE1 GLN A 39 11.808 0.652 -7.477 1.00 0.00 O ATOM 196 NE2 GLN A 39 10.477 1.890 -6.177 1.00 0.00 N ATOM 0 H GLN A 39 9.415 -3.141 -5.941 1.00 0.00 H new ATOM 0 HA GLN A 39 11.213 -1.793 -4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.597 -0.583 -4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.122 0.193 -4.426 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.430 -1.353 -6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.002 -0.348 -6.986 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.653 1.930 -5.577 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.032 2.730 -6.338 1.00 0.00 H new ATOM 205 N GLU A 40 9.536 -1.765 -2.070 1.00 0.00 N ATOM 206 CA GLU A 40 8.773 -2.084 -0.865 1.00 0.00 C ATOM 207 C GLU A 40 8.552 -0.842 0.004 1.00 0.00 C ATOM 208 O GLU A 40 9.424 0.020 0.112 1.00 0.00 O ATOM 209 CB GLU A 40 9.505 -3.161 -0.060 1.00 0.00 C ATOM 210 CG GLU A 40 8.701 -3.722 1.102 1.00 0.00 C ATOM 211 CD GLU A 40 9.483 -3.725 2.404 1.00 0.00 C ATOM 212 OE1 GLU A 40 10.182 -4.726 2.679 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.404 -2.721 3.143 1.00 0.00 O ATOM 0 H GLU A 40 10.238 -1.036 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 40 7.795 -2.456 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.775 -3.978 -0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.435 -2.743 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.793 -3.133 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.390 -4.740 0.866 1.00 0.00 H new ATOM 220 N ILE A 41 7.378 -0.755 0.621 1.00 0.00 N ATOM 221 CA ILE A 41 7.055 0.374 1.495 1.00 0.00 C ATOM 222 C ILE A 41 6.234 -0.084 2.703 1.00 0.00 C ATOM 223 O ILE A 41 5.231 -0.787 2.561 1.00 0.00 O ATOM 224 CB ILE A 41 6.295 1.496 0.738 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.736 2.532 1.719 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.171 0.917 -0.106 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.420 3.882 1.647 1.00 0.00 C ATOM 0 H ILE A 41 6.635 -1.448 0.534 1.00 0.00 H new ATOM 0 HA ILE A 41 8.003 0.783 1.843 1.00 0.00 H new ATOM 0 HB ILE A 41 7.006 1.990 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.672 2.665 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.828 2.143 2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.654 1.723 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.585 0.221 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.467 0.390 0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.967 4.559 2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.480 3.765 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.306 4.295 0.645 1.00 0.00 H new ATOM 239 N ARG A 42 6.678 0.303 3.896 1.00 0.00 N ATOM 240 CA ARG A 42 5.984 -0.058 5.126 1.00 0.00 C ATOM 241 C ARG A 42 4.929 0.988 5.488 1.00 0.00 C ATOM 242 O ARG A 42 5.251 2.095 5.925 1.00 0.00 O ATOM 243 CB ARG A 42 6.979 -0.224 6.276 1.00 0.00 C ATOM 244 CG ARG A 42 6.662 -1.402 7.185 1.00 0.00 C ATOM 245 CD ARG A 42 7.880 -1.837 7.984 1.00 0.00 C ATOM 246 NE ARG A 42 7.664 -3.116 8.657 1.00 0.00 N ATOM 247 CZ ARG A 42 8.455 -3.596 9.602 1.00 0.00 C ATOM 248 NH1 ARG A 42 9.508 -2.920 9.996 1.00 0.00 N ATOM 249 NH2 ARG A 42 8.191 -4.753 10.157 1.00 0.00 N ATOM 0 H ARG A 42 7.516 0.867 4.036 1.00 0.00 H new ATOM 0 HA ARG A 42 5.479 -1.010 4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.980 -0.351 5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.992 0.690 6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.857 -1.129 7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.302 -2.238 6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.740 -1.918 7.319 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.120 -1.074 8.724 1.00 0.00 H new ATOM 0 HE ARG A 42 6.854 -3.672 8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.722 -2.017 9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.113 -3.298 10.725 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.374 -5.286 9.860 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.803 -5.121 10.886 1.00 0.00 H new ATOM 263 N VAL A 43 3.669 0.625 5.301 1.00 0.00 N ATOM 264 CA VAL A 43 2.552 1.513 5.597 1.00 0.00 C ATOM 265 C VAL A 43 1.935 1.163 6.951 1.00 0.00 C ATOM 266 O VAL A 43 1.207 0.176 7.085 1.00 0.00 O ATOM 267 CB VAL A 43 1.476 1.441 4.488 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.345 2.421 4.749 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.103 1.712 3.131 1.00 0.00 C ATOM 0 H VAL A 43 3.392 -0.288 4.942 1.00 0.00 H new ATOM 0 HA VAL A 43 2.935 2.533 5.636 1.00 0.00 H new ATOM 0 HB VAL A 43 1.056 0.435 4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.394 2.345 3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.126 2.187 5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.742 3.435 4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.336 1.659 2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.551 2.706 3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.872 0.967 2.930 1.00 0.00 H new ATOM 279 N GLU A 44 2.251 1.971 7.957 1.00 0.00 N ATOM 280 CA GLU A 44 1.736 1.757 9.308 1.00 0.00 C ATOM 281 C GLU A 44 0.254 2.123 9.396 1.00 0.00 C ATOM 282 O GLU A 44 -0.125 3.284 9.210 1.00 0.00 O ATOM 283 CB GLU A 44 2.546 2.570 10.320 1.00 0.00 C ATOM 284 CG GLU A 44 2.543 1.980 11.722 1.00 0.00 C ATOM 285 CD GLU A 44 3.834 1.259 12.059 1.00 0.00 C ATOM 286 OE1 GLU A 44 4.033 0.132 11.558 1.00 0.00 O ATOM 287 OE2 GLU A 44 4.647 1.824 12.822 1.00 0.00 O ATOM 0 H GLU A 44 2.862 2.782 7.864 1.00 0.00 H new ATOM 0 HA GLU A 44 1.837 0.698 9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.575 2.647 9.970 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.147 3.583 10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.378 2.777 12.446 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.709 1.285 11.817 1.00 0.00 H new ATOM 294 N VAL A 45 -0.569 1.122 9.690 1.00 0.00 N ATOM 295 CA VAL A 45 -2.013 1.305 9.789 1.00 0.00 C ATOM 296 C VAL A 45 -2.456 1.490 11.243 1.00 0.00 C ATOM 297 O VAL A 45 -2.592 0.527 12.004 1.00 0.00 O ATOM 298 CB VAL A 45 -2.755 0.104 9.152 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.236 0.119 9.484 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.557 0.096 7.645 1.00 0.00 C ATOM 0 H VAL A 45 -0.257 0.167 9.865 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.270 2.212 9.242 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.328 -0.806 9.574 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.722 -0.739 9.019 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.367 0.069 10.565 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.684 1.038 9.107 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.085 -0.754 7.213 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.950 1.020 7.221 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.494 0.016 7.418 1.00 0.00 H new ATOM 310 N MET A 46 -2.657 2.744 11.626 1.00 0.00 N ATOM 311 CA MET A 46 -3.100 3.082 12.976 1.00 0.00 C ATOM 312 C MET A 46 -4.070 4.265 12.940 1.00 0.00 C ATOM 313 O MET A 46 -3.675 5.420 13.095 1.00 0.00 O ATOM 314 CB MET A 46 -1.903 3.398 13.882 1.00 0.00 C ATOM 315 CG MET A 46 -0.819 4.219 13.202 1.00 0.00 C ATOM 316 SD MET A 46 0.769 4.112 14.051 1.00 0.00 S ATOM 317 CE MET A 46 0.551 5.347 15.329 1.00 0.00 C ATOM 0 H MET A 46 -2.520 3.551 11.017 1.00 0.00 H new ATOM 0 HA MET A 46 -3.620 2.218 13.389 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.257 3.937 14.761 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.469 2.462 14.235 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.701 3.877 12.174 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.133 5.262 13.157 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.452 5.400 15.941 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.367 6.318 14.869 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.298 5.076 15.956 1.00 0.00 H new ATOM 327 N GLY A 47 -5.347 3.963 12.728 1.00 0.00 N ATOM 328 CA GLY A 47 -6.358 5.006 12.641 1.00 0.00 C ATOM 329 C GLY A 47 -6.449 5.578 11.236 1.00 0.00 C ATOM 330 O GLY A 47 -7.203 6.513 10.974 1.00 0.00 O ATOM 0 H GLY A 47 -5.702 3.014 12.614 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.327 4.600 12.933 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.121 5.804 13.345 1.00 0.00 H new ATOM 334 N GLY A 48 -5.663 4.995 10.337 1.00 0.00 N ATOM 335 CA GLY A 48 -5.632 5.423 8.953 1.00 0.00 C ATOM 336 C GLY A 48 -4.357 4.972 8.264 1.00 0.00 C ATOM 337 O GLY A 48 -3.853 3.883 8.536 1.00 0.00 O ATOM 0 H GLY A 48 -5.036 4.219 10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.496 5.018 8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.709 6.509 8.904 1.00 0.00 H new ATOM 341 N TYR A 49 -3.829 5.809 7.381 1.00 0.00 N ATOM 342 CA TYR A 49 -2.599 5.485 6.662 1.00 0.00 C ATOM 343 C TYR A 49 -1.489 6.468 7.028 1.00 0.00 C ATOM 344 O TYR A 49 -1.682 7.680 6.958 1.00 0.00 O ATOM 345 CB TYR A 49 -2.852 5.506 5.150 1.00 0.00 C ATOM 346 CG TYR A 49 -3.979 4.595 4.716 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.853 3.212 4.791 1.00 0.00 C ATOM 348 CD2 TYR A 49 -5.175 5.118 4.240 1.00 0.00 C ATOM 349 CE1 TYR A 49 -4.884 2.380 4.403 1.00 0.00 C ATOM 350 CE2 TYR A 49 -6.212 4.290 3.853 1.00 0.00 C ATOM 351 CZ TYR A 49 -6.062 2.923 3.935 1.00 0.00 C ATOM 352 OH TYR A 49 -7.094 2.098 3.550 1.00 0.00 O ATOM 0 H TYR A 49 -4.230 6.716 7.144 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.280 4.484 6.952 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.080 6.526 4.842 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.939 5.213 4.632 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.933 2.782 5.159 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.296 6.189 4.171 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.768 1.308 4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.136 4.713 3.488 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.950 2.550 3.706 1.00 0.00 H new ATOM 362 N THR A 50 -0.328 5.943 7.428 1.00 0.00 N ATOM 363 CA THR A 50 0.801 6.796 7.810 1.00 0.00 C ATOM 364 C THR A 50 1.366 7.560 6.598 1.00 0.00 C ATOM 365 O THR A 50 1.299 8.789 6.570 1.00 0.00 O ATOM 366 CB THR A 50 1.911 5.999 8.534 1.00 0.00 C ATOM 367 OG1 THR A 50 1.425 5.536 9.800 1.00 0.00 O ATOM 368 CG2 THR A 50 3.156 6.852 8.748 1.00 0.00 C ATOM 0 H THR A 50 -0.145 4.942 7.496 1.00 0.00 H new ATOM 0 HA THR A 50 0.417 7.531 8.518 1.00 0.00 H new ATOM 0 HB THR A 50 2.182 5.150 7.906 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.756 4.834 9.657 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.917 6.263 9.259 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.540 7.183 7.783 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.902 7.721 9.355 1.00 0.00 H new ATOM 376 N PRO A 51 1.940 6.874 5.579 1.00 0.00 N ATOM 377 CA PRO A 51 2.447 7.562 4.389 1.00 0.00 C ATOM 378 C PRO A 51 1.299 8.009 3.482 1.00 0.00 C ATOM 379 O PRO A 51 0.753 7.214 2.717 1.00 0.00 O ATOM 380 CB PRO A 51 3.305 6.504 3.699 1.00 0.00 C ATOM 381 CG PRO A 51 2.697 5.208 4.106 1.00 0.00 C ATOM 382 CD PRO A 51 2.175 5.414 5.501 1.00 0.00 C ATOM 0 HA PRO A 51 3.003 8.468 4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.291 6.626 2.616 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.346 6.570 4.014 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.893 4.924 3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.435 4.406 4.080 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.257 4.852 5.672 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.895 5.084 6.250 1.00 0.00 H new ATOM 390 N GLU A 52 0.929 9.286 3.591 1.00 0.00 N ATOM 391 CA GLU A 52 -0.167 9.854 2.796 1.00 0.00 C ATOM 392 C GLU A 52 -0.007 9.572 1.299 1.00 0.00 C ATOM 393 O GLU A 52 -0.968 9.199 0.626 1.00 0.00 O ATOM 394 CB GLU A 52 -0.280 11.366 3.038 1.00 0.00 C ATOM 395 CG GLU A 52 1.045 12.110 2.963 1.00 0.00 C ATOM 396 CD GLU A 52 1.411 12.789 4.270 1.00 0.00 C ATOM 397 OE1 GLU A 52 2.082 12.145 5.102 1.00 0.00 O ATOM 398 OE2 GLU A 52 1.029 13.963 4.459 1.00 0.00 O ATOM 0 H GLU A 52 1.373 9.951 4.224 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.084 9.366 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.964 11.790 2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.723 11.533 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.835 11.411 2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.993 12.858 2.172 1.00 0.00 H new ATOM 405 N LEU A 53 1.206 9.751 0.781 1.00 0.00 N ATOM 406 CA LEU A 53 1.476 9.508 -0.632 1.00 0.00 C ATOM 407 C LEU A 53 2.727 8.652 -0.809 1.00 0.00 C ATOM 408 O LEU A 53 3.818 9.046 -0.403 1.00 0.00 O ATOM 409 CB LEU A 53 1.638 10.828 -1.399 1.00 0.00 C ATOM 410 CG LEU A 53 1.337 12.107 -0.612 1.00 0.00 C ATOM 411 CD1 LEU A 53 2.176 13.261 -1.136 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.143 12.451 -0.696 1.00 0.00 C ATOM 0 H LEU A 53 2.015 10.063 1.318 1.00 0.00 H new ATOM 0 HA LEU A 53 0.620 8.970 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.662 10.886 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.985 10.800 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 53 1.593 11.935 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.951 14.163 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.234 13.020 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.946 13.429 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.337 13.363 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.422 12.604 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.731 11.633 -0.279 1.00 0.00 H new ATOM 424 N ILE A 54 2.565 7.478 -1.414 1.00 0.00 N ATOM 425 CA ILE A 54 3.692 6.574 -1.647 1.00 0.00 C ATOM 426 C ILE A 54 4.232 6.723 -3.071 1.00 0.00 C ATOM 427 O ILE A 54 3.488 6.611 -4.048 1.00 0.00 O ATOM 428 CB ILE A 54 3.314 5.095 -1.393 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.955 4.757 -2.010 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.306 4.802 0.098 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.594 3.291 -1.914 1.00 0.00 C ATOM 0 H ILE A 54 1.668 7.130 -1.752 1.00 0.00 H new ATOM 0 HA ILE A 54 4.468 6.856 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 54 4.065 4.467 -1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.184 5.346 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.957 5.054 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.038 3.758 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.296 4.992 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.577 5.445 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.619 3.126 -2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.345 2.697 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.558 2.993 -0.866 1.00 0.00 H new ATOM 443 N VAL A 55 5.527 6.991 -3.182 1.00 0.00 N ATOM 444 CA VAL A 55 6.163 7.161 -4.488 1.00 0.00 C ATOM 445 C VAL A 55 6.821 5.863 -4.965 1.00 0.00 C ATOM 446 O VAL A 55 7.634 5.266 -4.254 1.00 0.00 O ATOM 447 CB VAL A 55 7.216 8.292 -4.453 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.918 8.430 -5.798 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.568 9.610 -4.051 1.00 0.00 C ATOM 0 H VAL A 55 6.158 7.096 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 55 5.376 7.431 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 55 7.967 8.031 -3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.653 9.233 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.420 7.494 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.184 8.662 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.323 10.396 -4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.793 9.869 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.123 9.510 -3.061 1.00 0.00 H new ATOM 459 N LEU A 56 6.461 5.438 -6.175 1.00 0.00 N ATOM 460 CA LEU A 56 7.002 4.209 -6.760 1.00 0.00 C ATOM 461 C LEU A 56 7.413 4.419 -8.221 1.00 0.00 C ATOM 462 O LEU A 56 7.105 5.448 -8.827 1.00 0.00 O ATOM 463 CB LEU A 56 5.966 3.084 -6.676 1.00 0.00 C ATOM 464 CG LEU A 56 5.605 2.632 -5.259 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.176 2.117 -5.210 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.572 1.563 -4.781 1.00 0.00 C ATOM 0 H LEU A 56 5.795 5.928 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 56 7.889 3.933 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.056 3.412 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.342 2.224 -7.229 1.00 0.00 H new ATOM 0 HG LEU A 56 5.683 3.492 -4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.938 1.800 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.493 2.911 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.071 1.270 -5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.301 1.253 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.524 0.704 -5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.585 1.964 -4.778 1.00 0.00 H new ATOM 478 N LYS A 57 8.111 3.436 -8.785 1.00 0.00 N ATOM 479 CA LYS A 57 8.552 3.508 -10.178 1.00 0.00 C ATOM 480 C LYS A 57 7.588 2.743 -11.087 1.00 0.00 C ATOM 481 O LYS A 57 6.746 1.984 -10.611 1.00 0.00 O ATOM 482 CB LYS A 57 9.968 2.944 -10.318 1.00 0.00 C ATOM 483 CG LYS A 57 11.059 3.994 -10.179 1.00 0.00 C ATOM 484 CD LYS A 57 12.222 3.489 -9.337 1.00 0.00 C ATOM 485 CE LYS A 57 13.163 2.616 -10.151 1.00 0.00 C ATOM 486 NZ LYS A 57 13.546 1.375 -9.419 1.00 0.00 N ATOM 0 H LYS A 57 8.384 2.581 -8.301 1.00 0.00 H new ATOM 0 HA LYS A 57 8.559 4.555 -10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.119 2.173 -9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.063 2.460 -11.290 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.421 4.276 -11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.643 4.893 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.772 4.337 -8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.839 2.921 -8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.685 2.348 -11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.061 3.183 -10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.907 0.671 -10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.285 1.597 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.713 0.989 -8.930 1.00 0.00 H new ATOM 500 N LYS A 58 7.711 2.943 -12.396 1.00 0.00 N ATOM 501 CA LYS A 58 6.830 2.273 -13.352 1.00 0.00 C ATOM 502 C LYS A 58 7.468 1.011 -13.937 1.00 0.00 C ATOM 503 O LYS A 58 8.688 0.933 -14.095 1.00 0.00 O ATOM 504 CB LYS A 58 6.444 3.232 -14.480 1.00 0.00 C ATOM 505 CG LYS A 58 5.274 2.737 -15.316 1.00 0.00 C ATOM 506 CD LYS A 58 4.954 3.682 -16.461 1.00 0.00 C ATOM 507 CE LYS A 58 5.458 3.146 -17.793 1.00 0.00 C ATOM 508 NZ LYS A 58 4.344 2.692 -18.671 1.00 0.00 N ATOM 0 H LYS A 58 8.406 3.558 -12.818 1.00 0.00 H new ATOM 0 HA LYS A 58 5.935 1.969 -12.809 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.191 4.202 -14.052 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.306 3.385 -15.129 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.505 1.749 -15.715 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.395 2.626 -14.681 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.876 3.836 -16.515 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.405 4.655 -16.266 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.028 3.922 -18.303 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.140 2.315 -17.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.734 2.288 -19.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.784 1.969 -18.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.735 3.502 -18.905 1.00 0.00 H new ATOM 522 N SER A 59 6.616 0.024 -14.243 1.00 0.00 N ATOM 523 CA SER A 59 7.035 -1.259 -14.825 1.00 0.00 C ATOM 524 C SER A 59 7.894 -2.075 -13.854 1.00 0.00 C ATOM 525 O SER A 59 8.623 -2.982 -14.263 1.00 0.00 O ATOM 526 CB SER A 59 7.789 -1.041 -16.144 1.00 0.00 C ATOM 527 OG SER A 59 8.127 -2.276 -16.751 1.00 0.00 O ATOM 0 H SER A 59 5.609 0.093 -14.093 1.00 0.00 H new ATOM 0 HA SER A 59 6.128 -1.829 -15.027 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.173 -0.454 -16.825 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.695 -0.465 -15.957 1.00 0.00 H new ATOM 0 HG SER A 59 8.440 -2.903 -16.066 1.00 0.00 H new ATOM 533 N VAL A 60 7.797 -1.758 -12.568 1.00 0.00 N ATOM 534 CA VAL A 60 8.564 -2.462 -11.547 1.00 0.00 C ATOM 535 C VAL A 60 7.639 -3.055 -10.476 1.00 0.00 C ATOM 536 O VAL A 60 6.690 -2.405 -10.037 1.00 0.00 O ATOM 537 CB VAL A 60 9.612 -1.518 -10.894 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.961 -0.546 -9.925 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.704 -2.312 -10.193 1.00 0.00 C ATOM 0 H VAL A 60 7.195 -1.018 -12.207 1.00 0.00 H new ATOM 0 HA VAL A 60 9.093 -3.281 -12.034 1.00 0.00 H new ATOM 0 HB VAL A 60 10.068 -0.939 -11.697 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.724 0.098 -9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.232 0.065 -10.457 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.459 -1.103 -9.134 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.423 -1.626 -9.746 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.260 -2.931 -9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.213 -2.949 -10.917 1.00 0.00 H new ATOM 549 N PRO A 61 7.868 -4.320 -10.078 1.00 0.00 N ATOM 550 CA PRO A 61 7.060 -4.969 -9.039 1.00 0.00 C ATOM 551 C PRO A 61 7.224 -4.278 -7.685 1.00 0.00 C ATOM 552 O PRO A 61 8.338 -4.124 -7.186 1.00 0.00 O ATOM 553 CB PRO A 61 7.606 -6.401 -8.990 1.00 0.00 C ATOM 554 CG PRO A 61 8.963 -6.325 -9.603 1.00 0.00 C ATOM 555 CD PRO A 61 8.903 -5.218 -10.618 1.00 0.00 C ATOM 0 HA PRO A 61 5.993 -4.927 -9.259 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.657 -6.768 -7.965 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.963 -7.086 -9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.721 -6.119 -8.847 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.231 -7.271 -10.074 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.863 -4.711 -10.718 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.635 -5.592 -11.606 1.00 0.00 H new ATOM 563 N ALA A 62 6.117 -3.844 -7.102 1.00 0.00 N ATOM 564 CA ALA A 62 6.161 -3.162 -5.814 1.00 0.00 C ATOM 565 C ALA A 62 5.239 -3.821 -4.794 1.00 0.00 C ATOM 566 O ALA A 62 4.108 -4.191 -5.110 1.00 0.00 O ATOM 567 CB ALA A 62 5.798 -1.698 -5.994 1.00 0.00 C ATOM 0 H ALA A 62 5.182 -3.950 -7.496 1.00 0.00 H new ATOM 0 HA ALA A 62 7.177 -3.236 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.832 -1.193 -5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.508 -1.228 -6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.793 -1.621 -6.408 1.00 0.00 H new ATOM 573 N ARG A 63 5.725 -3.968 -3.567 1.00 0.00 N ATOM 574 CA ARG A 63 4.933 -4.580 -2.512 1.00 0.00 C ATOM 575 C ARG A 63 4.671 -3.597 -1.368 1.00 0.00 C ATOM 576 O ARG A 63 5.589 -2.989 -0.813 1.00 0.00 O ATOM 577 CB ARG A 63 5.599 -5.863 -2.001 1.00 0.00 C ATOM 578 CG ARG A 63 6.894 -5.648 -1.246 1.00 0.00 C ATOM 579 CD ARG A 63 7.908 -6.731 -1.566 1.00 0.00 C ATOM 580 NE ARG A 63 7.997 -7.734 -0.503 1.00 0.00 N ATOM 581 CZ ARG A 63 8.966 -7.776 0.398 1.00 0.00 C ATOM 582 NH1 ARG A 63 9.935 -6.892 0.380 1.00 0.00 N ATOM 583 NH2 ARG A 63 8.968 -8.707 1.319 1.00 0.00 N ATOM 0 H ARG A 63 6.659 -3.673 -3.281 1.00 0.00 H new ATOM 0 HA ARG A 63 3.966 -4.851 -2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.898 -6.386 -1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.794 -6.518 -2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.308 -4.673 -1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.695 -5.639 -0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.634 -7.218 -2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.887 -6.277 -1.718 1.00 0.00 H new ATOM 0 HE ARG A 63 7.267 -8.445 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.947 -6.163 -0.333 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.677 -6.934 1.079 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.222 -9.402 1.343 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.716 -8.737 2.012 1.00 0.00 H new ATOM 597 N ILE A 64 3.398 -3.432 -1.042 1.00 0.00 N ATOM 598 CA ILE A 64 2.985 -2.530 0.029 1.00 0.00 C ATOM 599 C ILE A 64 2.741 -3.304 1.324 1.00 0.00 C ATOM 600 O ILE A 64 1.830 -4.128 1.399 1.00 0.00 O ATOM 601 CB ILE A 64 1.704 -1.751 -0.349 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.699 -1.394 -1.844 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.573 -0.497 0.504 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.637 -0.259 -2.212 1.00 0.00 C ATOM 0 H ILE A 64 2.627 -3.913 -1.505 1.00 0.00 H new ATOM 0 HA ILE A 64 3.796 -1.817 0.179 1.00 0.00 H new ATOM 0 HB ILE A 64 0.845 -2.393 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.973 -2.279 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.685 -1.124 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.666 0.040 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.520 -0.777 1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.439 0.145 0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.575 -0.068 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.352 0.640 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.659 -0.533 -1.951 1.00 0.00 H new ATOM 616 N VAL A 65 3.558 -3.039 2.337 1.00 0.00 N ATOM 617 CA VAL A 65 3.437 -3.726 3.624 1.00 0.00 C ATOM 618 C VAL A 65 2.508 -2.969 4.574 1.00 0.00 C ATOM 619 O VAL A 65 2.868 -1.918 5.098 1.00 0.00 O ATOM 620 CB VAL A 65 4.813 -3.904 4.302 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.733 -4.934 5.419 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.872 -4.300 3.285 1.00 0.00 C ATOM 0 H VAL A 65 4.312 -2.354 2.295 1.00 0.00 H new ATOM 0 HA VAL A 65 3.013 -4.708 3.414 1.00 0.00 H new ATOM 0 HB VAL A 65 5.101 -2.947 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.713 -5.044 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.012 -4.604 6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.417 -5.893 5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.832 -4.419 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.590 -5.241 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.954 -3.524 2.524 1.00 0.00 H new ATOM 632 N PHE A 66 1.319 -3.514 4.800 1.00 0.00 N ATOM 633 CA PHE A 66 0.341 -2.885 5.686 1.00 0.00 C ATOM 634 C PHE A 66 0.412 -3.464 7.099 1.00 0.00 C ATOM 635 O PHE A 66 -0.080 -4.564 7.358 1.00 0.00 O ATOM 636 CB PHE A 66 -1.071 -3.056 5.119 1.00 0.00 C ATOM 637 CG PHE A 66 -1.333 -2.204 3.910 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.474 -0.832 4.032 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.429 -2.775 2.651 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.707 -0.044 2.924 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.661 -1.992 1.538 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.801 -0.625 1.674 1.00 0.00 C ATOM 0 H PHE A 66 1.006 -4.391 4.383 1.00 0.00 H new ATOM 0 HA PHE A 66 0.579 -1.823 5.746 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.226 -4.103 4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.798 -2.810 5.893 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.401 -0.373 5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.321 -3.844 2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.816 1.025 3.033 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.733 -2.448 0.562 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.984 -0.011 0.805 1.00 0.00 H new ATOM 652 N ASP A 67 1.029 -2.716 8.008 1.00 0.00 N ATOM 653 CA ASP A 67 1.159 -3.143 9.401 1.00 0.00 C ATOM 654 C ASP A 67 -0.043 -2.659 10.216 1.00 0.00 C ATOM 655 O ASP A 67 -0.146 -1.475 10.536 1.00 0.00 O ATOM 656 CB ASP A 67 2.459 -2.597 9.999 1.00 0.00 C ATOM 657 CG ASP A 67 2.938 -3.404 11.191 1.00 0.00 C ATOM 658 OD1 ASP A 67 3.701 -4.370 10.984 1.00 0.00 O ATOM 659 OD2 ASP A 67 2.545 -3.073 12.330 1.00 0.00 O ATOM 0 H ASP A 67 1.449 -1.808 7.806 1.00 0.00 H new ATOM 0 HA ASP A 67 1.188 -4.232 9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.234 -2.594 9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.308 -1.561 10.303 1.00 0.00 H new ATOM 664 N ARG A 68 -0.943 -3.578 10.554 1.00 0.00 N ATOM 665 CA ARG A 68 -2.141 -3.226 11.315 1.00 0.00 C ATOM 666 C ARG A 68 -1.852 -3.082 12.810 1.00 0.00 C ATOM 667 O ARG A 68 -1.740 -4.070 13.537 1.00 0.00 O ATOM 668 CB ARG A 68 -3.240 -4.265 11.090 1.00 0.00 C ATOM 669 CG ARG A 68 -4.566 -3.659 10.658 1.00 0.00 C ATOM 670 CD ARG A 68 -5.693 -4.043 11.602 1.00 0.00 C ATOM 671 NE ARG A 68 -6.408 -5.226 11.140 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.650 -5.519 11.478 1.00 0.00 C ATOM 673 NH1 ARG A 68 -8.327 -4.736 12.282 1.00 0.00 N ATOM 674 NH2 ARG A 68 -8.218 -6.597 11.002 1.00 0.00 N ATOM 0 H ARG A 68 -0.868 -4.567 10.315 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.481 -2.256 10.951 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.909 -4.974 10.331 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.390 -4.829 12.010 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.475 -2.573 10.622 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.807 -3.993 9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.287 -4.229 12.596 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.390 -3.210 11.694 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.918 -5.868 10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.895 -3.890 12.653 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.286 -4.973 12.536 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.701 -7.209 10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.178 -6.825 11.262 1.00 0.00 H new ATOM 688 N LYS A 69 -1.747 -1.834 13.256 1.00 0.00 N ATOM 689 CA LYS A 69 -1.480 -1.526 14.659 1.00 0.00 C ATOM 690 C LYS A 69 -2.786 -1.229 15.405 1.00 0.00 C ATOM 691 O LYS A 69 -2.948 -1.591 16.570 1.00 0.00 O ATOM 692 CB LYS A 69 -0.519 -0.332 14.751 1.00 0.00 C ATOM 693 CG LYS A 69 -0.379 0.252 16.151 1.00 0.00 C ATOM 694 CD LYS A 69 0.389 -0.680 17.074 1.00 0.00 C ATOM 695 CE LYS A 69 1.650 -0.023 17.611 1.00 0.00 C ATOM 696 NZ LYS A 69 2.379 -0.910 18.559 1.00 0.00 N ATOM 0 H LYS A 69 -1.844 -1.012 12.660 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.015 -2.392 15.130 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.465 -0.644 14.400 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.865 0.451 14.076 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.133 1.213 16.095 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.368 0.442 16.567 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.250 -0.977 17.906 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.653 -1.590 16.535 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.306 0.237 16.780 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.388 0.908 18.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.232 -0.425 18.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.763 -1.138 19.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.652 -1.788 18.073 1.00 0.00 H new ATOM 710 N ASP A 70 -3.716 -0.571 14.720 1.00 0.00 N ATOM 711 CA ASP A 70 -5.007 -0.231 15.315 1.00 0.00 C ATOM 712 C ASP A 70 -6.104 -1.185 14.826 1.00 0.00 C ATOM 713 O ASP A 70 -6.260 -1.400 13.625 1.00 0.00 O ATOM 714 CB ASP A 70 -5.370 1.220 14.978 1.00 0.00 C ATOM 715 CG ASP A 70 -6.413 1.798 15.917 1.00 0.00 C ATOM 716 OD1 ASP A 70 -6.026 2.374 16.954 1.00 0.00 O ATOM 717 OD2 ASP A 70 -7.620 1.671 15.611 1.00 0.00 O ATOM 0 H ASP A 70 -3.602 -0.263 13.755 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.928 -0.336 16.397 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.470 1.834 15.019 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.742 1.268 13.955 1.00 0.00 H new ATOM 722 N PRO A 71 -6.897 -1.751 15.759 1.00 0.00 N ATOM 723 CA PRO A 71 -7.979 -2.690 15.430 1.00 0.00 C ATOM 724 C PRO A 71 -9.259 -1.992 14.962 1.00 0.00 C ATOM 725 O PRO A 71 -10.367 -2.407 15.304 1.00 0.00 O ATOM 726 CB PRO A 71 -8.216 -3.395 16.764 1.00 0.00 C ATOM 727 CG PRO A 71 -7.923 -2.350 17.783 1.00 0.00 C ATOM 728 CD PRO A 71 -6.803 -1.515 17.213 1.00 0.00 C ATOM 0 HA PRO A 71 -7.713 -3.350 14.604 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.241 -3.757 16.847 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.562 -4.259 16.880 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.804 -1.739 17.980 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.630 -2.801 18.731 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.926 -0.460 17.456 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.834 -1.822 17.607 1.00 0.00 H new ATOM 736 N SER A 72 -9.098 -0.935 14.174 1.00 0.00 N ATOM 737 CA SER A 72 -10.239 -0.180 13.654 1.00 0.00 C ATOM 738 C SER A 72 -11.013 -0.990 12.612 1.00 0.00 C ATOM 739 O SER A 72 -10.415 -1.634 11.750 1.00 0.00 O ATOM 740 CB SER A 72 -9.764 1.137 13.035 1.00 0.00 C ATOM 741 OG SER A 72 -9.699 2.166 14.008 1.00 0.00 O ATOM 0 H SER A 72 -8.189 -0.579 13.879 1.00 0.00 H new ATOM 0 HA SER A 72 -10.907 0.031 14.489 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.782 0.997 12.584 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.443 1.432 12.235 1.00 0.00 H new ATOM 0 HG SER A 72 -8.820 2.152 14.440 1.00 0.00 H new ATOM 747 N PRO A 73 -12.360 -0.950 12.666 1.00 0.00 N ATOM 748 CA PRO A 73 -13.220 -1.693 11.726 1.00 0.00 C ATOM 749 C PRO A 73 -13.051 -1.239 10.276 1.00 0.00 C ATOM 750 O PRO A 73 -13.147 -2.042 9.349 1.00 0.00 O ATOM 751 CB PRO A 73 -14.638 -1.389 12.217 1.00 0.00 C ATOM 752 CG PRO A 73 -14.510 -0.123 12.993 1.00 0.00 C ATOM 753 CD PRO A 73 -13.154 -0.177 13.638 1.00 0.00 C ATOM 0 HA PRO A 73 -12.973 -2.755 11.716 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.329 -1.273 11.382 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.023 -2.197 12.839 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.599 0.746 12.342 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.297 -0.042 13.743 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.741 0.819 13.796 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.189 -0.666 14.612 1.00 0.00 H new ATOM 761 N CYS A 74 -12.787 0.052 10.085 1.00 0.00 N ATOM 762 CA CYS A 74 -12.600 0.612 8.746 1.00 0.00 C ATOM 763 C CYS A 74 -11.231 0.239 8.171 1.00 0.00 C ATOM 764 O CYS A 74 -10.963 0.460 6.991 1.00 0.00 O ATOM 765 CB CYS A 74 -12.747 2.134 8.781 1.00 0.00 C ATOM 766 SG CYS A 74 -11.948 2.920 10.200 1.00 0.00 S ATOM 0 H CYS A 74 -12.697 0.731 10.841 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.370 0.189 8.100 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.328 2.550 7.865 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.807 2.386 8.789 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.125 4.206 10.140 1.00 0.00 H new ATOM 772 N LEU A 75 -10.371 -0.331 9.012 1.00 0.00 N ATOM 773 CA LEU A 75 -9.032 -0.732 8.590 1.00 0.00 C ATOM 774 C LEU A 75 -8.871 -2.257 8.608 1.00 0.00 C ATOM 775 O LEU A 75 -7.756 -2.770 8.547 1.00 0.00 O ATOM 776 CB LEU A 75 -7.981 -0.087 9.495 1.00 0.00 C ATOM 777 CG LEU A 75 -7.772 1.414 9.284 1.00 0.00 C ATOM 778 CD1 LEU A 75 -7.010 2.007 10.456 1.00 0.00 C ATOM 779 CD2 LEU A 75 -7.031 1.677 7.982 1.00 0.00 C ATOM 0 H LEU A 75 -10.579 -0.526 9.991 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.888 -0.390 7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.266 -0.255 10.533 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.029 -0.595 9.339 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.749 1.893 9.222 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.867 3.075 10.294 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.576 1.851 11.374 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.038 1.520 10.542 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.893 2.750 7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.058 1.187 8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.610 1.282 7.147 1.00 0.00 H new ATOM 791 N ASP A 76 -9.993 -2.972 8.693 1.00 0.00 N ATOM 792 CA ASP A 76 -9.979 -4.437 8.718 1.00 0.00 C ATOM 793 C ASP A 76 -9.533 -5.017 7.370 1.00 0.00 C ATOM 794 O ASP A 76 -8.861 -6.047 7.316 1.00 0.00 O ATOM 795 CB ASP A 76 -11.370 -4.964 9.080 1.00 0.00 C ATOM 796 CG ASP A 76 -11.332 -6.361 9.673 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.982 -6.491 10.868 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.657 -7.324 8.947 1.00 0.00 O ATOM 0 H ASP A 76 -10.925 -2.561 8.746 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.260 -4.755 9.473 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.837 -4.284 9.792 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.995 -4.970 8.187 1.00 0.00 H new ATOM 803 N GLN A 77 -9.917 -4.349 6.288 1.00 0.00 N ATOM 804 CA GLN A 77 -9.561 -4.794 4.943 1.00 0.00 C ATOM 805 C GLN A 77 -9.001 -3.638 4.116 1.00 0.00 C ATOM 806 O GLN A 77 -9.124 -2.474 4.496 1.00 0.00 O ATOM 807 CB GLN A 77 -10.785 -5.390 4.241 1.00 0.00 C ATOM 808 CG GLN A 77 -11.218 -6.738 4.800 1.00 0.00 C ATOM 809 CD GLN A 77 -12.618 -7.129 4.372 1.00 0.00 C ATOM 810 OE1 GLN A 77 -13.564 -6.357 4.507 1.00 0.00 O ATOM 811 NE2 GLN A 77 -12.761 -8.338 3.854 1.00 0.00 N ATOM 0 H GLN A 77 -10.476 -3.496 6.315 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.791 -5.560 5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.616 -4.689 4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.565 -5.501 3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.516 -7.504 4.473 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.171 -6.707 5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.951 -8.951 3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.681 -8.657 3.551 1.00 0.00 H new ATOM 820 N ILE A 78 -8.378 -3.964 2.990 1.00 0.00 N ATOM 821 CA ILE A 78 -7.813 -2.947 2.106 1.00 0.00 C ATOM 822 C ILE A 78 -8.072 -3.288 0.637 1.00 0.00 C ATOM 823 O ILE A 78 -7.890 -4.429 0.210 1.00 0.00 O ATOM 824 CB ILE A 78 -6.292 -2.756 2.338 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.752 -1.645 1.435 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.529 -4.054 2.101 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.247 -0.442 2.197 1.00 0.00 C ATOM 0 H ILE A 78 -8.250 -4.923 2.666 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.314 -2.010 2.348 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.144 -2.467 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.942 -2.045 0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.540 -1.328 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.465 -3.887 2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.891 -4.819 2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.684 -4.385 1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.879 0.306 1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.060 -0.017 2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.437 -0.745 2.861 1.00 0.00 H new ATOM 839 N VAL A 79 -8.518 -2.299 -0.128 1.00 0.00 N ATOM 840 CA VAL A 79 -8.786 -2.505 -1.544 1.00 0.00 C ATOM 841 C VAL A 79 -8.256 -1.346 -2.386 1.00 0.00 C ATOM 842 O VAL A 79 -8.454 -0.176 -2.061 1.00 0.00 O ATOM 843 CB VAL A 79 -10.300 -2.733 -1.831 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.171 -2.029 -0.807 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.681 -2.302 -3.244 1.00 0.00 C ATOM 0 H VAL A 79 -8.700 -1.353 0.206 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.255 -3.413 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.478 -3.805 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.221 -2.209 -1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.946 -2.414 0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.972 -0.958 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.745 -2.478 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.465 -1.241 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.106 -2.879 -3.968 1.00 0.00 H new ATOM 855 N PHE A 80 -7.552 -1.700 -3.451 1.00 0.00 N ATOM 856 CA PHE A 80 -6.993 -0.728 -4.379 1.00 0.00 C ATOM 857 C PHE A 80 -7.963 -0.520 -5.546 1.00 0.00 C ATOM 858 O PHE A 80 -8.021 -1.342 -6.461 1.00 0.00 O ATOM 859 CB PHE A 80 -5.640 -1.228 -4.899 1.00 0.00 C ATOM 860 CG PHE A 80 -4.477 -0.886 -4.010 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.300 -1.532 -2.796 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.556 0.076 -4.393 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.227 -1.224 -1.982 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.482 0.390 -3.583 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.317 -0.262 -2.374 1.00 0.00 C ATOM 0 H PHE A 80 -7.352 -2.670 -3.696 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.844 0.222 -3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.686 -2.310 -5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.464 -0.805 -5.888 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.009 -2.284 -2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.679 0.587 -5.337 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.100 -1.735 -1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.773 1.143 -3.893 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.478 -0.019 -1.738 1.00 0.00 H new ATOM 875 N PRO A 81 -8.727 0.590 -5.542 1.00 0.00 N ATOM 876 CA PRO A 81 -9.720 0.877 -6.593 1.00 0.00 C ATOM 877 C PRO A 81 -9.103 1.126 -7.970 1.00 0.00 C ATOM 878 O PRO A 81 -9.798 1.077 -8.984 1.00 0.00 O ATOM 879 CB PRO A 81 -10.426 2.138 -6.086 1.00 0.00 C ATOM 880 CG PRO A 81 -9.459 2.778 -5.153 1.00 0.00 C ATOM 881 CD PRO A 81 -8.679 1.657 -4.526 1.00 0.00 C ATOM 0 HA PRO A 81 -10.383 0.026 -6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.679 2.806 -6.910 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.358 1.890 -5.578 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.798 3.462 -5.686 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.979 3.363 -4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.654 1.956 -4.307 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.126 1.335 -3.585 1.00 0.00 H new ATOM 889 N ASP A 82 -7.803 1.390 -8.009 1.00 0.00 N ATOM 890 CA ASP A 82 -7.117 1.644 -9.272 1.00 0.00 C ATOM 891 C ASP A 82 -6.351 0.409 -9.767 1.00 0.00 C ATOM 892 O ASP A 82 -5.825 0.405 -10.879 1.00 0.00 O ATOM 893 CB ASP A 82 -6.167 2.833 -9.122 1.00 0.00 C ATOM 894 CG ASP A 82 -6.905 4.134 -8.866 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.663 4.572 -9.756 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.723 4.715 -7.772 1.00 0.00 O ATOM 0 H ASP A 82 -7.204 1.434 -7.185 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.875 1.878 -10.019 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.477 2.642 -8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.566 2.931 -10.026 1.00 0.00 H new ATOM 901 N PHE A 83 -6.285 -0.636 -8.939 1.00 0.00 N ATOM 902 CA PHE A 83 -5.575 -1.862 -9.316 1.00 0.00 C ATOM 903 C PHE A 83 -6.502 -3.083 -9.312 1.00 0.00 C ATOM 904 O PHE A 83 -6.218 -4.086 -9.965 1.00 0.00 O ATOM 905 CB PHE A 83 -4.395 -2.103 -8.368 1.00 0.00 C ATOM 906 CG PHE A 83 -3.205 -1.234 -8.666 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.093 0.025 -8.102 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.201 -1.678 -9.512 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.005 0.827 -8.377 1.00 0.00 C ATOM 910 CE2 PHE A 83 -1.107 -0.879 -9.790 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.011 0.375 -9.221 1.00 0.00 C ATOM 0 H PHE A 83 -6.710 -0.660 -8.012 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.206 -1.726 -10.332 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.719 -1.924 -7.343 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.096 -3.149 -8.430 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.866 0.384 -7.439 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.274 -2.658 -9.959 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.931 1.808 -7.932 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.330 -1.235 -10.450 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.158 1.002 -9.436 1.00 0.00 H new ATOM 921 N GLY A 84 -7.609 -2.995 -8.575 1.00 0.00 N ATOM 922 CA GLY A 84 -8.545 -4.107 -8.495 1.00 0.00 C ATOM 923 C GLY A 84 -8.074 -5.176 -7.524 1.00 0.00 C ATOM 924 O GLY A 84 -8.361 -6.359 -7.697 1.00 0.00 O ATOM 0 H GLY A 84 -7.874 -2.173 -8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.522 -3.738 -8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.672 -4.546 -9.484 1.00 0.00 H new ATOM 928 N VAL A 85 -7.355 -4.744 -6.494 1.00 0.00 N ATOM 929 CA VAL A 85 -6.808 -5.654 -5.491 1.00 0.00 C ATOM 930 C VAL A 85 -7.440 -5.424 -4.114 1.00 0.00 C ATOM 931 O VAL A 85 -7.303 -4.350 -3.534 1.00 0.00 O ATOM 932 CB VAL A 85 -5.274 -5.475 -5.391 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.709 -6.192 -4.175 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.597 -5.960 -6.664 1.00 0.00 C ATOM 0 H VAL A 85 -7.135 -3.761 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.042 -6.671 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.069 -4.411 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.630 -6.046 -4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.163 -5.788 -3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.928 -7.257 -4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.519 -5.827 -6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.821 -7.016 -6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.966 -5.385 -7.514 1.00 0.00 H new ATOM 944 N HIS A 86 -8.135 -6.435 -3.599 1.00 0.00 N ATOM 945 CA HIS A 86 -8.771 -6.338 -2.282 1.00 0.00 C ATOM 946 C HIS A 86 -8.335 -7.500 -1.386 1.00 0.00 C ATOM 947 O HIS A 86 -8.520 -8.667 -1.730 1.00 0.00 O ATOM 948 CB HIS A 86 -10.303 -6.304 -2.425 1.00 0.00 C ATOM 949 CG HIS A 86 -11.055 -6.426 -1.128 1.00 0.00 C ATOM 950 ND1 HIS A 86 -11.954 -7.443 -0.874 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.041 -5.655 -0.013 1.00 0.00 C ATOM 952 CE1 HIS A 86 -12.457 -7.291 0.337 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.920 -6.215 0.880 1.00 0.00 N ATOM 0 H HIS A 86 -8.274 -7.329 -4.069 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.451 -5.408 -1.812 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.589 -5.370 -2.909 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.611 -7.114 -3.086 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -12.192 -8.194 -1.521 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -10.448 -4.766 0.143 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -13.185 -7.938 0.804 1.00 0.00 H new ATOM 961 N ALA A 87 -7.764 -7.165 -0.233 1.00 0.00 N ATOM 962 CA ALA A 87 -7.291 -8.173 0.715 1.00 0.00 C ATOM 963 C ALA A 87 -7.665 -7.814 2.154 1.00 0.00 C ATOM 964 O ALA A 87 -8.143 -6.711 2.428 1.00 0.00 O ATOM 965 CB ALA A 87 -5.783 -8.339 0.588 1.00 0.00 C ATOM 0 H ALA A 87 -7.617 -6.202 0.069 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.780 -9.116 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.439 -9.091 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.536 -8.656 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.293 -7.389 0.801 1.00 0.00 H new ATOM 971 N ASN A 88 -7.441 -8.751 3.071 1.00 0.00 N ATOM 972 CA ASN A 88 -7.749 -8.537 4.485 1.00 0.00 C ATOM 973 C ASN A 88 -6.467 -8.330 5.293 1.00 0.00 C ATOM 974 O ASN A 88 -5.445 -8.958 5.018 1.00 0.00 O ATOM 975 CB ASN A 88 -8.533 -9.728 5.054 1.00 0.00 C ATOM 976 CG ASN A 88 -9.436 -10.386 4.027 1.00 0.00 C ATOM 977 OD1 ASN A 88 -10.429 -9.810 3.590 1.00 0.00 O ATOM 978 ND2 ASN A 88 -9.096 -11.604 3.634 1.00 0.00 N ATOM 0 H ASN A 88 -7.047 -9.668 2.861 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.363 -7.640 4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.831 -10.467 5.440 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.136 -9.390 5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.666 -12.096 2.946 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.264 -12.051 4.019 1.00 0.00 H new ATOM 985 N LEU A 89 -6.525 -7.453 6.291 1.00 0.00 N ATOM 986 CA LEU A 89 -5.358 -7.173 7.124 1.00 0.00 C ATOM 987 C LEU A 89 -5.481 -7.838 8.498 1.00 0.00 C ATOM 988 O LEU A 89 -6.494 -7.692 9.185 1.00 0.00 O ATOM 989 CB LEU A 89 -5.164 -5.662 7.291 1.00 0.00 C ATOM 990 CG LEU A 89 -5.135 -4.856 5.990 1.00 0.00 C ATOM 991 CD1 LEU A 89 -5.137 -3.364 6.286 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.920 -5.234 5.157 1.00 0.00 C ATOM 0 H LEU A 89 -7.362 -6.926 6.542 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.487 -7.590 6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.967 -5.277 7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.230 -5.490 7.826 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.032 -5.093 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.116 -2.807 5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.038 -3.105 6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.258 -3.110 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.915 -4.652 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.012 -5.026 5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.961 -6.296 4.915 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.449 -8.595 8.910 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.433 -9.273 10.208 1.00 0.00 C ATOM 1006 C PRO A 90 -4.042 -8.335 11.355 1.00 0.00 C ATOM 1007 O PRO A 90 -3.004 -7.673 11.305 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.378 -10.363 10.013 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.436 -9.814 8.992 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.227 -8.864 8.129 1.00 0.00 C ATOM 0 HA PRO A 90 -5.415 -9.654 10.487 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.862 -10.584 10.947 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.831 -11.294 9.671 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.605 -9.298 9.472 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.008 -10.616 8.391 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.671 -7.948 7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.463 -9.307 7.162 1.00 0.00 H new ATOM 1018 N MET A 91 -4.878 -8.286 12.388 1.00 0.00 N ATOM 1019 CA MET A 91 -4.627 -7.425 13.544 1.00 0.00 C ATOM 1020 C MET A 91 -3.375 -7.861 14.312 1.00 0.00 C ATOM 1021 O MET A 91 -3.255 -9.015 14.726 1.00 0.00 O ATOM 1022 CB MET A 91 -5.844 -7.426 14.472 1.00 0.00 C ATOM 1023 CG MET A 91 -5.645 -6.617 15.744 1.00 0.00 C ATOM 1024 SD MET A 91 -5.056 -4.943 15.426 1.00 0.00 S ATOM 1025 CE MET A 91 -4.184 -4.603 16.952 1.00 0.00 C ATOM 0 H MET A 91 -5.737 -8.833 12.450 1.00 0.00 H new ATOM 0 HA MET A 91 -4.454 -6.414 13.176 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.703 -7.029 13.930 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.084 -8.455 14.740 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.588 -6.568 16.288 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.932 -7.132 16.388 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.386 -3.579 17.266 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.521 -5.293 17.725 1.00 0.00 H new ATOM 0 HE3 MET A 91 -3.113 -4.730 16.795 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.447 -6.926 14.491 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.213 -7.216 15.203 1.00 0.00 C ATOM 1037 C GLY A 92 -0.115 -7.746 14.295 1.00 0.00 C ATOM 1038 O GLY A 92 0.982 -8.065 14.754 1.00 0.00 O ATOM 0 H GLY A 92 -2.528 -5.967 14.154 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.863 -6.309 15.697 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.415 -7.947 15.986 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.411 -7.838 12.999 1.00 0.00 N ATOM 1043 CA GLU A 93 0.550 -8.340 12.020 1.00 0.00 C ATOM 1044 C GLU A 93 0.589 -7.439 10.783 1.00 0.00 C ATOM 1045 O GLU A 93 -0.155 -6.461 10.689 1.00 0.00 O ATOM 1046 CB GLU A 93 0.195 -9.774 11.612 1.00 0.00 C ATOM 1047 CG GLU A 93 0.190 -10.760 12.771 1.00 0.00 C ATOM 1048 CD GLU A 93 -0.235 -12.154 12.353 1.00 0.00 C ATOM 1049 OE1 GLU A 93 -1.449 -12.444 12.398 1.00 0.00 O ATOM 1050 OE2 GLU A 93 0.647 -12.955 11.977 1.00 0.00 O ATOM 0 H GLU A 93 -1.312 -7.570 12.603 1.00 0.00 H new ATOM 0 HA GLU A 93 1.537 -8.336 12.482 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.789 -9.775 11.142 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.907 -10.115 10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.187 -10.805 13.209 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.483 -10.397 13.548 1.00 0.00 H new ATOM 1057 N GLU A 94 1.468 -7.764 9.842 1.00 0.00 N ATOM 1058 CA GLU A 94 1.594 -6.976 8.620 1.00 0.00 C ATOM 1059 C GLU A 94 1.251 -7.802 7.377 1.00 0.00 C ATOM 1060 O GLU A 94 1.691 -8.942 7.228 1.00 0.00 O ATOM 1061 CB GLU A 94 3.008 -6.397 8.497 1.00 0.00 C ATOM 1062 CG GLU A 94 4.114 -7.427 8.659 1.00 0.00 C ATOM 1063 CD GLU A 94 5.090 -7.075 9.769 1.00 0.00 C ATOM 1064 OE1 GLU A 94 6.035 -6.300 9.507 1.00 0.00 O ATOM 1065 OE2 GLU A 94 4.911 -7.582 10.896 1.00 0.00 O ATOM 0 H GLU A 94 2.100 -8.562 9.900 1.00 0.00 H new ATOM 0 HA GLU A 94 0.879 -6.156 8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.110 -5.919 7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.137 -5.619 9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.670 -8.400 8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.658 -7.520 7.719 1.00 0.00 H new ATOM 1072 N TYR A 95 0.452 -7.212 6.493 1.00 0.00 N ATOM 1073 CA TYR A 95 0.046 -7.872 5.255 1.00 0.00 C ATOM 1074 C TYR A 95 0.637 -7.142 4.052 1.00 0.00 C ATOM 1075 O TYR A 95 0.472 -5.933 3.909 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.481 -7.911 5.150 1.00 0.00 C ATOM 1077 CG TYR A 95 -2.002 -9.009 4.251 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.162 -10.303 4.726 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.336 -8.749 2.928 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.641 -11.309 3.908 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -2.815 -9.750 2.104 1.00 0.00 C ATOM 1082 CZ TYR A 95 -2.965 -11.028 2.599 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.442 -12.027 1.781 1.00 0.00 O ATOM 0 H TYR A 95 0.071 -6.273 6.611 1.00 0.00 H new ATOM 0 HA TYR A 95 0.422 -8.895 5.265 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.901 -8.040 6.147 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.835 -6.950 4.777 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.908 -10.528 5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.220 -7.749 2.537 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.761 -12.311 4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.070 -9.532 1.078 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.623 -11.662 0.890 1.00 0.00 H new ATOM 1093 N VAL A 96 1.326 -7.878 3.189 1.00 0.00 N ATOM 1094 CA VAL A 96 1.948 -7.272 2.018 1.00 0.00 C ATOM 1095 C VAL A 96 1.102 -7.440 0.746 1.00 0.00 C ATOM 1096 O VAL A 96 0.522 -8.498 0.492 1.00 0.00 O ATOM 1097 CB VAL A 96 3.382 -7.825 1.795 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.380 -9.127 1.005 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.250 -6.784 1.108 1.00 0.00 C ATOM 0 H VAL A 96 1.468 -8.884 3.275 1.00 0.00 H new ATOM 0 HA VAL A 96 2.013 -6.203 2.222 1.00 0.00 H new ATOM 0 HB VAL A 96 3.801 -8.046 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.405 -9.475 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.807 -9.880 1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.926 -8.959 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.252 -7.187 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.815 -6.527 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.307 -5.890 1.729 1.00 0.00 H new ATOM 1109 N VAL A 97 1.011 -6.360 -0.025 1.00 0.00 N ATOM 1110 CA VAL A 97 0.266 -6.359 -1.281 1.00 0.00 C ATOM 1111 C VAL A 97 1.216 -6.128 -2.456 1.00 0.00 C ATOM 1112 O VAL A 97 1.780 -5.043 -2.609 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.837 -5.272 -1.288 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.464 -5.129 -2.670 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.900 -5.593 -0.252 1.00 0.00 C ATOM 0 H VAL A 97 1.448 -5.467 0.201 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.213 -7.333 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.373 -4.319 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.234 -4.358 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.696 -4.848 -3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.911 -6.078 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.669 -4.820 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.351 -6.559 -0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.444 -5.631 0.737 1.00 0.00 H new ATOM 1125 N GLU A 98 1.399 -7.156 -3.274 1.00 0.00 N ATOM 1126 CA GLU A 98 2.296 -7.064 -4.426 1.00 0.00 C ATOM 1127 C GLU A 98 1.544 -6.642 -5.691 1.00 0.00 C ATOM 1128 O GLU A 98 0.639 -7.340 -6.151 1.00 0.00 O ATOM 1129 CB GLU A 98 2.996 -8.406 -4.660 1.00 0.00 C ATOM 1130 CG GLU A 98 4.302 -8.549 -3.895 1.00 0.00 C ATOM 1131 CD GLU A 98 4.670 -9.997 -3.630 1.00 0.00 C ATOM 1132 OE1 GLU A 98 5.339 -10.607 -4.489 1.00 0.00 O ATOM 1133 OE2 GLU A 98 4.287 -10.519 -2.561 1.00 0.00 O ATOM 0 H GLU A 98 0.942 -8.061 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 98 3.041 -6.300 -4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.324 -9.213 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.193 -8.523 -5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.103 -8.072 -4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.222 -8.019 -2.946 1.00 0.00 H new ATOM 1140 N ILE A 99 1.927 -5.495 -6.246 1.00 0.00 N ATOM 1141 CA ILE A 99 1.296 -4.972 -7.458 1.00 0.00 C ATOM 1142 C ILE A 99 2.343 -4.480 -8.456 1.00 0.00 C ATOM 1143 O ILE A 99 3.471 -4.153 -8.083 1.00 0.00 O ATOM 1144 CB ILE A 99 0.313 -3.818 -7.149 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.740 -3.061 -5.887 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.102 -4.357 -6.996 1.00 0.00 C ATOM 1147 CD1 ILE A 99 -0.035 -1.782 -5.654 1.00 0.00 C ATOM 0 H ILE A 99 2.674 -4.907 -5.875 1.00 0.00 H new ATOM 0 HA ILE A 99 0.736 -5.799 -7.894 1.00 0.00 H new ATOM 0 HB ILE A 99 0.331 -3.119 -7.985 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.615 -3.714 -5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.802 -2.825 -5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.783 -3.534 -6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.407 -4.846 -7.921 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.131 -5.077 -6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.322 -1.301 -4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.109 -1.110 -6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.095 -2.013 -5.551 1.00 0.00 H new ATOM 1159 N THR A 100 1.965 -4.429 -9.730 1.00 0.00 N ATOM 1160 CA THR A 100 2.879 -3.981 -10.778 1.00 0.00 C ATOM 1161 C THR A 100 2.324 -2.767 -11.526 1.00 0.00 C ATOM 1162 O THR A 100 1.497 -2.909 -12.428 1.00 0.00 O ATOM 1163 CB THR A 100 3.165 -5.104 -11.795 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.347 -6.353 -11.115 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.406 -4.788 -12.618 1.00 0.00 C ATOM 0 H THR A 100 1.037 -4.691 -10.061 1.00 0.00 H new ATOM 0 HA THR A 100 3.807 -3.702 -10.280 1.00 0.00 H new ATOM 0 HB THR A 100 2.309 -5.177 -12.466 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.526 -7.059 -11.770 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.587 -5.595 -13.328 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.255 -3.855 -13.160 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.266 -4.688 -11.956 1.00 0.00 H new ATOM 1173 N PRO A 101 2.774 -1.554 -11.155 1.00 0.00 N ATOM 1174 CA PRO A 101 2.329 -0.309 -11.798 1.00 0.00 C ATOM 1175 C PRO A 101 2.914 -0.137 -13.203 1.00 0.00 C ATOM 1176 O PRO A 101 4.065 0.265 -13.364 1.00 0.00 O ATOM 1177 CB PRO A 101 2.859 0.774 -10.858 1.00 0.00 C ATOM 1178 CG PRO A 101 4.064 0.162 -10.232 1.00 0.00 C ATOM 1179 CD PRO A 101 3.747 -1.297 -10.075 1.00 0.00 C ATOM 0 HA PRO A 101 1.249 -0.282 -11.939 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.112 1.684 -11.402 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.117 1.048 -10.108 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.945 0.306 -10.857 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.279 0.621 -9.267 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.638 -1.916 -10.182 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.324 -1.513 -9.094 1.00 0.00 H new ATOM 1187 N GLU A 102 2.117 -0.441 -14.221 1.00 0.00 N ATOM 1188 CA GLU A 102 2.572 -0.323 -15.607 1.00 0.00 C ATOM 1189 C GLU A 102 2.168 1.020 -16.226 1.00 0.00 C ATOM 1190 O GLU A 102 2.373 1.252 -17.419 1.00 0.00 O ATOM 1191 CB GLU A 102 2.012 -1.478 -16.442 1.00 0.00 C ATOM 1192 CG GLU A 102 2.505 -2.847 -15.995 1.00 0.00 C ATOM 1193 CD GLU A 102 1.387 -3.871 -15.887 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.205 -3.470 -15.940 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.696 -5.073 -15.749 1.00 0.00 O ATOM 0 H GLU A 102 1.157 -0.770 -14.117 1.00 0.00 H new ATOM 0 HA GLU A 102 3.661 -0.371 -15.605 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.923 -1.458 -16.390 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.284 -1.326 -17.486 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.253 -3.207 -16.701 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.999 -2.752 -15.028 1.00 0.00 H new ATOM 1202 N GLN A 103 1.611 1.907 -15.408 1.00 0.00 N ATOM 1203 CA GLN A 103 1.184 3.225 -15.870 1.00 0.00 C ATOM 1204 C GLN A 103 1.665 4.315 -14.913 1.00 0.00 C ATOM 1205 O GLN A 103 1.536 4.185 -13.698 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.341 3.275 -15.997 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.825 3.613 -17.397 1.00 0.00 C ATOM 1208 CD GLN A 103 -2.306 3.339 -17.585 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -3.154 4.085 -17.108 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -2.624 2.261 -18.283 1.00 0.00 N ATOM 0 H GLN A 103 1.444 1.737 -14.416 1.00 0.00 H new ATOM 0 HA GLN A 103 1.627 3.403 -16.850 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.753 2.310 -15.702 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.731 4.015 -15.298 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.625 4.665 -17.602 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.257 3.032 -18.124 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.889 1.665 -18.664 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.604 2.026 -18.440 1.00 0.00 H new ATOM 1219 N ALA A 104 2.223 5.386 -15.469 1.00 0.00 N ATOM 1220 CA ALA A 104 2.723 6.492 -14.658 1.00 0.00 C ATOM 1221 C ALA A 104 1.633 7.532 -14.406 1.00 0.00 C ATOM 1222 O ALA A 104 0.995 8.019 -15.340 1.00 0.00 O ATOM 1223 CB ALA A 104 3.930 7.135 -15.327 1.00 0.00 C ATOM 0 H ALA A 104 2.340 5.512 -16.474 1.00 0.00 H new ATOM 0 HA ALA A 104 3.029 6.090 -13.692 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.292 7.958 -14.711 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.720 6.393 -15.442 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.643 7.515 -16.308 1.00 0.00 H new ATOM 1229 N GLY A 105 1.430 7.865 -13.139 1.00 0.00 N ATOM 1230 CA GLY A 105 0.416 8.841 -12.779 1.00 0.00 C ATOM 1231 C GLY A 105 0.051 8.791 -11.307 1.00 0.00 C ATOM 1232 O GLY A 105 0.833 8.316 -10.480 1.00 0.00 O ATOM 0 H GLY A 105 1.949 7.477 -12.351 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.775 9.840 -13.026 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.479 8.667 -13.377 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.143 9.276 -10.982 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.617 9.290 -9.601 1.00 0.00 C ATOM 1238 C GLU A 106 -2.608 8.156 -9.332 1.00 0.00 C ATOM 1239 O GLU A 106 -3.617 8.015 -10.022 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.268 10.639 -9.278 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.531 11.431 -8.210 1.00 0.00 C ATOM 1242 CD GLU A 106 -1.917 12.898 -8.200 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.576 13.609 -9.168 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.563 13.336 -7.221 1.00 0.00 O ATOM 0 H GLU A 106 -1.802 9.665 -11.657 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.752 9.140 -8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.320 11.235 -10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.293 10.469 -8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.741 10.997 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.457 11.343 -8.374 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.303 7.356 -8.319 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.150 6.232 -7.924 1.00 0.00 C ATOM 1253 C PHE A 107 -3.662 6.449 -6.497 1.00 0.00 C ATOM 1254 O PHE A 107 -3.225 7.375 -5.815 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.363 4.920 -8.024 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.067 4.503 -9.438 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -0.955 4.994 -10.102 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -2.904 3.624 -10.103 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -0.685 4.617 -11.404 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -2.639 3.242 -11.403 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.528 3.738 -12.056 1.00 0.00 C ATOM 0 H PHE A 107 -1.465 7.465 -7.748 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.005 6.170 -8.597 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.424 5.027 -7.481 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.928 4.129 -7.531 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.291 5.680 -9.596 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.775 3.232 -9.599 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.184 5.009 -11.911 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.301 2.555 -11.909 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.319 3.440 -13.073 1.00 0.00 H new ATOM 1271 N SER A 108 -4.574 5.598 -6.036 1.00 0.00 N ATOM 1272 CA SER A 108 -5.131 5.755 -4.692 1.00 0.00 C ATOM 1273 C SER A 108 -5.623 4.435 -4.103 1.00 0.00 C ATOM 1274 O SER A 108 -5.897 3.475 -4.828 1.00 0.00 O ATOM 1275 CB SER A 108 -6.289 6.758 -4.723 1.00 0.00 C ATOM 1276 OG SER A 108 -7.394 6.239 -5.447 1.00 0.00 O ATOM 0 H SER A 108 -4.940 4.804 -6.562 1.00 0.00 H new ATOM 0 HA SER A 108 -4.327 6.121 -4.054 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.596 6.995 -3.704 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.956 7.690 -5.180 1.00 0.00 H new ATOM 0 HG SER A 108 -7.070 5.749 -6.232 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.722 4.403 -2.776 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.205 3.224 -2.053 1.00 0.00 C ATOM 1284 C PHE A 109 -6.933 3.632 -0.768 1.00 0.00 C ATOM 1285 O PHE A 109 -6.461 4.492 -0.020 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.055 2.254 -1.734 1.00 0.00 C ATOM 1287 CG PHE A 109 -3.900 2.859 -0.976 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -2.887 3.527 -1.646 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.822 2.743 0.403 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.822 4.072 -0.954 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.758 3.284 1.100 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.757 3.950 0.421 1.00 0.00 C ATOM 0 H PHE A 109 -5.472 5.187 -2.173 1.00 0.00 H new ATOM 0 HA PHE A 109 -6.912 2.707 -2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.453 1.421 -1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.679 1.841 -2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.930 3.623 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.602 2.224 0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.041 4.593 -1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.710 3.186 2.174 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.925 4.375 0.963 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.094 3.023 -0.525 1.00 0.00 N ATOM 1303 CA ALA A 110 -8.889 3.329 0.666 1.00 0.00 C ATOM 1304 C ALA A 110 -9.918 2.235 0.951 1.00 0.00 C ATOM 1305 O ALA A 110 -10.231 1.421 0.084 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.591 4.671 0.502 1.00 0.00 C ATOM 0 H ALA A 110 -8.505 2.316 -1.135 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.206 3.379 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.178 4.886 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.848 5.455 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.250 4.633 -0.365 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.686 7.827 -1.088 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.396 8.162 -2.479 1.00 0.00 C ATOM 1421 C LYS A 119 -1.063 7.557 -2.923 1.00 0.00 C ATOM 1422 O LYS A 119 -0.145 7.393 -2.122 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.371 9.681 -2.657 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.662 10.142 -4.078 1.00 0.00 C ATOM 1425 CD LYS A 119 -3.640 11.307 -4.102 1.00 0.00 C ATOM 1426 CE LYS A 119 -2.946 12.628 -3.804 1.00 0.00 C ATOM 1427 NZ LYS A 119 -3.434 13.722 -4.689 1.00 0.00 N ATOM 0 HA LYS A 119 -3.184 7.741 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.103 10.128 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.392 10.056 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.731 10.438 -4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.071 9.312 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.120 11.360 -5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.428 11.136 -3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.115 12.901 -2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.870 12.510 -3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.320 14.636 -4.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.884 13.726 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.439 13.569 -4.908 1.00 0.00 H new ATOM 1441 N MET A 120 -0.969 7.220 -4.202 1.00 0.00 N ATOM 1442 CA MET A 120 0.252 6.640 -4.752 1.00 0.00 C ATOM 1443 C MET A 120 0.678 7.364 -6.030 1.00 0.00 C ATOM 1444 O MET A 120 -0.153 7.694 -6.870 1.00 0.00 O ATOM 1445 CB MET A 120 0.041 5.149 -5.037 1.00 0.00 C ATOM 1446 CG MET A 120 1.260 4.456 -5.626 1.00 0.00 C ATOM 1447 SD MET A 120 0.837 3.337 -6.973 1.00 0.00 S ATOM 1448 CE MET A 120 0.385 1.868 -6.059 1.00 0.00 C ATOM 0 H MET A 120 -1.723 7.338 -4.879 1.00 0.00 H new ATOM 0 HA MET A 120 1.047 6.757 -4.015 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.237 4.648 -4.110 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.797 5.036 -5.725 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.961 5.208 -5.990 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.770 3.898 -4.841 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.769 0.987 -6.573 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.810 1.918 -5.057 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.701 1.802 -5.989 1.00 0.00 H new ATOM 1458 N ILE A 121 1.972 7.622 -6.168 1.00 0.00 N ATOM 1459 CA ILE A 121 2.488 8.300 -7.354 1.00 0.00 C ATOM 1460 C ILE A 121 3.517 7.425 -8.070 1.00 0.00 C ATOM 1461 O ILE A 121 4.557 7.079 -7.508 1.00 0.00 O ATOM 1462 CB ILE A 121 3.118 9.672 -7.009 1.00 0.00 C ATOM 1463 CG1 ILE A 121 2.058 10.621 -6.441 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.764 10.290 -8.243 1.00 0.00 C ATOM 1465 CD1 ILE A 121 2.046 10.688 -4.931 1.00 0.00 C ATOM 0 H ILE A 121 2.682 7.374 -5.478 1.00 0.00 H new ATOM 0 HA ILE A 121 1.640 8.476 -8.015 1.00 0.00 H new ATOM 0 HB ILE A 121 3.888 9.513 -6.254 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.229 11.621 -6.838 1.00 0.00 H new ATOM 0 HG13 ILE A 121 1.075 10.303 -6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.201 11.253 -7.981 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.544 9.627 -8.616 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.009 10.432 -9.016 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.270 11.380 -4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.844 9.697 -4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 121 3.016 11.036 -4.575 1.00 0.00 H new ATOM 1477 N VAL A 122 3.214 7.066 -9.313 1.00 0.00 N ATOM 1478 CA VAL A 122 4.104 6.226 -10.107 1.00 0.00 C ATOM 1479 C VAL A 122 4.897 7.056 -11.117 1.00 0.00 C ATOM 1480 O VAL A 122 4.325 7.756 -11.952 1.00 0.00 O ATOM 1481 CB VAL A 122 3.316 5.123 -10.847 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.243 4.268 -11.695 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.556 4.257 -9.854 1.00 0.00 C ATOM 0 H VAL A 122 2.358 7.344 -9.793 1.00 0.00 H new ATOM 0 HA VAL A 122 4.803 5.756 -9.415 1.00 0.00 H new ATOM 0 HB VAL A 122 2.599 5.606 -11.511 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.663 3.499 -12.205 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.743 4.895 -12.433 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.989 3.796 -11.056 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.006 3.485 -10.391 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.260 3.789 -9.166 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.857 4.876 -9.292 1.00 0.00 H new ATOM 1493 N GLU A 123 6.221 6.965 -11.039 1.00 0.00 N ATOM 1494 CA GLU A 123 7.100 7.713 -11.941 1.00 0.00 C ATOM 1495 C GLU A 123 7.361 6.941 -13.236 1.00 0.00 C ATOM 1496 O GLU A 123 8.089 5.923 -13.181 1.00 0.00 O ATOM 1497 CB GLU A 123 8.426 8.028 -11.242 1.00 0.00 C ATOM 1498 CG GLU A 123 8.384 9.287 -10.388 1.00 0.00 C ATOM 1499 CD GLU A 123 9.031 10.479 -11.068 1.00 0.00 C ATOM 1500 OE1 GLU A 123 8.863 10.624 -12.299 1.00 0.00 O ATOM 1501 OE2 GLU A 123 9.705 11.267 -10.373 1.00 0.00 O ATOM 0 H GLU A 123 6.712 6.382 -10.362 1.00 0.00 H new ATOM 0 HA GLU A 123 6.598 8.645 -12.201 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.705 7.182 -10.613 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.207 8.136 -11.995 1.00 0.00 H new ATOM 0 HG2 GLU A 123 7.347 9.527 -10.153 1.00 0.00 H new ATOM 0 HG3 GLU A 123 8.889 9.096 -9.441 1.00 0.00 H new