USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 914 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 11 TYR OH : rot -163:sc= 0.00354 USER MOD Set 1.2: A 106 THR OG1 : rot 71:sc= 0.816 USER MOD Set 2.1: A 84 ASN : amide:sc= 1.56 K(o=2.7,f=-4.4) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 164:sc= 1.1 (180deg=0) USER MOD Set 3.1: A 66 TYR OH : rot 180:sc= 0.996 USER MOD Set 3.2: A 74 LYS NZ :NH3+ 148:sc= 0.983 (180deg=0.888) USER MOD Set 4.1: A 42 CYS SG : rot -130:sc= -0.229 USER MOD Set 4.2: A 62 CYS SG : rot 180:sc= 0.0811 USER MOD Single : A 3 GLN : amide:sc= 0.0609 X(o=0.061,f=-0.17) USER MOD Single : A 6 SER OG : rot 70:sc= -0.162 USER MOD Single : A 7 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.23) USER MOD Single : A 14 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.27) USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= 0 (180deg=-1.02) USER MOD Single : A 17 GLN : amide:sc= -0.0495 K(o=-0.049,f=-0.94) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc=-0.000406 (180deg=-0.115) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0781 USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.0162 (180deg=-0.206) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 0.657 (180deg=0.559) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0396) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -67:sc= 1.82 USER MOD Single : A 47 GLN : amide:sc= -0.128 K(o=-0.13,f=-2.1!) USER MOD Single : A 50 THR OG1 : rot 69:sc= 0.488 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 68 ASN : amide:sc=-0.00992 K(o=-0.0099,f=-0.85) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -127:sc= 0.721 (180deg=0.467) USER MOD Single : A 93 LYS NZ :NH3+ 144:sc= 0.853 (180deg=0.231) USER MOD Single : A 96 ASN : amide:sc= 0.626 K(o=0.63,f=0) USER MOD Single : A 98 GLN : amide:sc= -2.13! C(o=-2.1!,f=-8.4!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 111 LYS NZ :NH3+ 163:sc= 0.955 (180deg=0.628) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.196 0.881 1.827 1.00 25.00 N ATOM 44 CA GLY A 2 0.805 1.700 2.972 1.00 25.00 C ATOM 45 C GLY A 2 0.378 3.099 2.582 1.00 25.00 C ATOM 46 O GLY A 2 -0.535 3.669 3.187 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.014 1.210 3.499 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.641 1.762 3.669 1.00 25.00 H new ATOM 50 N GLN A 3 1.007 3.652 1.555 1.00 25.00 N ATOM 51 CA GLN A 3 0.634 4.990 1.090 1.00 25.00 C ATOM 52 C GLN A 3 -0.795 4.985 0.548 1.00 25.00 C ATOM 53 O GLN A 3 -1.580 5.866 0.863 1.00 25.00 O ATOM 54 CB GLN A 3 1.579 5.503 -0.005 1.00 25.00 C ATOM 55 CG GLN A 3 3.064 5.510 0.357 1.00 25.00 C ATOM 56 CD GLN A 3 3.376 6.224 1.661 1.00 25.00 C ATOM 57 OE1 GLN A 3 2.787 7.239 1.998 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.323 5.698 2.390 1.00 25.00 N ATOM 0 H GLN A 3 1.764 3.210 1.033 1.00 25.00 H new ATOM 0 HA GLN A 3 0.708 5.657 1.949 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.443 4.889 -0.895 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.283 6.518 -0.270 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.416 4.481 0.424 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.622 5.986 -0.449 1.00 25.00 H new ATOM 0 HE21 GLN A 3 4.795 4.849 2.078 1.00 25.00 H new ATOM 0 HE22 GLN A 3 4.591 6.136 3.271 1.00 25.00 H new ATOM 67 N GLU A 4 -1.137 3.979 -0.247 1.00 25.00 N ATOM 68 CA GLU A 4 -2.477 3.883 -0.821 1.00 25.00 C ATOM 69 C GLU A 4 -3.494 3.604 0.268 1.00 25.00 C ATOM 70 O GLU A 4 -4.589 4.135 0.250 1.00 25.00 O ATOM 71 CB GLU A 4 -2.517 2.780 -1.886 1.00 25.00 C ATOM 72 CG GLU A 4 -3.908 2.193 -2.173 1.00 25.00 C ATOM 73 CD GLU A 4 -4.936 3.229 -2.658 1.00 25.00 C ATOM 74 OE1 GLU A 4 -4.541 4.335 -3.099 1.00 25.00 O ATOM 75 OE2 GLU A 4 -6.152 2.932 -2.573 1.00 25.00 O ATOM 0 H GLU A 4 -0.509 3.219 -0.510 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.727 4.833 -1.294 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.111 3.180 -2.815 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.857 1.971 -1.572 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.813 1.411 -2.926 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.285 1.719 -1.267 1.00 25.00 H new ATOM 82 N LEU A 5 -3.121 2.814 1.257 1.00 25.00 N ATOM 83 CA LEU A 5 -4.031 2.536 2.362 1.00 25.00 C ATOM 84 C LEU A 5 -4.427 3.838 3.081 1.00 25.00 C ATOM 85 O LEU A 5 -5.587 4.014 3.436 1.00 25.00 O ATOM 86 CB LEU A 5 -3.406 1.518 3.317 1.00 25.00 C ATOM 87 CG LEU A 5 -3.227 0.097 2.736 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.489 -0.781 3.731 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.553 -0.570 2.369 1.00 25.00 C ATOM 0 H LEU A 5 -2.211 2.358 1.323 1.00 25.00 H new ATOM 0 HA LEU A 5 -4.948 2.098 1.967 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.431 1.890 3.633 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.027 1.453 4.211 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.650 0.207 1.818 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.367 -1.781 3.314 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.509 -0.352 3.938 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.061 -0.842 4.657 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.361 -1.565 1.967 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.177 -0.653 3.259 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.068 0.031 1.619 1.00 25.00 H new ATOM 101 N SER A 6 -3.502 4.787 3.194 1.00 25.00 N ATOM 102 CA SER A 6 -3.833 6.137 3.681 1.00 25.00 C ATOM 103 C SER A 6 -4.747 6.959 2.756 1.00 25.00 C ATOM 104 O SER A 6 -5.446 7.854 3.218 1.00 25.00 O ATOM 105 CB SER A 6 -2.557 6.957 3.885 1.00 25.00 C ATOM 106 OG SER A 6 -1.632 6.280 4.710 1.00 25.00 O ATOM 0 H SER A 6 -2.519 4.654 2.958 1.00 25.00 H new ATOM 0 HA SER A 6 -4.373 5.958 4.611 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.099 7.165 2.918 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.809 7.919 4.332 1.00 25.00 H new ATOM 0 HG SER A 6 -1.264 5.511 4.227 1.00 25.00 H new ATOM 112 N GLN A 7 -4.724 6.682 1.460 1.00 25.00 N ATOM 113 CA GLN A 7 -5.566 7.404 0.496 1.00 25.00 C ATOM 114 C GLN A 7 -6.952 6.766 0.411 1.00 25.00 C ATOM 115 O GLN A 7 -7.926 7.398 0.000 1.00 25.00 O ATOM 116 CB GLN A 7 -4.934 7.358 -0.902 1.00 25.00 C ATOM 117 CG GLN A 7 -3.570 8.036 -0.993 1.00 25.00 C ATOM 118 CD GLN A 7 -2.997 8.050 -2.404 1.00 25.00 C ATOM 119 OE1 GLN A 7 -2.321 8.994 -2.789 1.00 25.00 O ATOM 120 NE2 GLN A 7 -3.249 7.017 -3.169 1.00 25.00 N ATOM 0 H GLN A 7 -4.133 5.962 1.044 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.651 8.436 0.837 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.831 6.317 -1.208 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.612 7.833 -1.611 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -3.657 9.061 -0.633 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -2.873 7.524 -0.330 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -3.817 6.247 -2.815 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -2.877 6.983 -4.118 1.00 25.00 H new ATOM 129 N HIS A 8 -7.024 5.494 0.769 1.00 25.00 N ATOM 130 CA HIS A 8 -8.254 4.715 0.639 1.00 25.00 C ATOM 131 C HIS A 8 -9.164 5.019 1.812 1.00 25.00 C ATOM 132 O HIS A 8 -9.176 4.290 2.791 1.00 25.00 O ATOM 133 CB HIS A 8 -7.904 3.222 0.575 1.00 25.00 C ATOM 134 CG HIS A 8 -8.896 2.394 -0.179 1.00 25.00 C ATOM 135 ND1 HIS A 8 -9.938 1.675 0.419 1.00 25.00 N ATOM 136 CD2 HIS A 8 -9.009 2.122 -1.506 1.00 25.00 C ATOM 137 CE1 HIS A 8 -10.613 1.034 -0.529 1.00 25.00 C ATOM 138 NE2 HIS A 8 -10.072 1.294 -1.690 1.00 25.00 N ATOM 0 H HIS A 8 -6.239 4.971 1.156 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.778 4.982 -0.279 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -6.925 3.109 0.110 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.821 2.835 1.591 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -8.363 2.500 -2.284 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -11.472 0.399 -0.366 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -10.395 0.934 -2.588 1.00 25.00 H new ATOM 146 N GLU A 9 -9.902 6.114 1.735 1.00 25.00 N ATOM 147 CA GLU A 9 -10.675 6.611 2.878 1.00 25.00 C ATOM 148 C GLU A 9 -11.564 5.572 3.577 1.00 25.00 C ATOM 149 O GLU A 9 -11.695 5.596 4.787 1.00 25.00 O ATOM 150 CB GLU A 9 -11.524 7.816 2.467 1.00 25.00 C ATOM 151 CG GLU A 9 -12.015 8.621 3.675 1.00 25.00 C ATOM 152 CD GLU A 9 -12.920 9.781 3.304 1.00 25.00 C ATOM 153 OE1 GLU A 9 -13.557 9.743 2.224 1.00 25.00 O ATOM 154 OE2 GLU A 9 -13.068 10.689 4.147 1.00 25.00 O ATOM 0 H GLU A 9 -9.987 6.683 0.893 1.00 25.00 H new ATOM 0 HA GLU A 9 -9.922 6.894 3.614 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -10.939 8.464 1.815 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.382 7.473 1.889 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -12.551 7.955 4.352 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -11.153 9.004 4.221 1.00 25.00 H new ATOM 161 N ARG A 10 -12.126 4.621 2.845 1.00 25.00 N ATOM 162 CA ARG A 10 -12.976 3.597 3.484 1.00 25.00 C ATOM 163 C ARG A 10 -12.167 2.659 4.383 1.00 25.00 C ATOM 164 O ARG A 10 -12.659 2.156 5.385 1.00 25.00 O ATOM 165 CB ARG A 10 -13.742 2.792 2.432 1.00 25.00 C ATOM 166 CG ARG A 10 -15.230 3.187 2.299 1.00 25.00 C ATOM 167 CD ARG A 10 -15.428 4.578 1.670 1.00 25.00 C ATOM 168 NE ARG A 10 -15.516 5.645 2.685 1.00 25.00 N ATOM 169 CZ ARG A 10 -15.359 6.944 2.456 1.00 25.00 C ATOM 170 NH1 ARG A 10 -15.093 7.423 1.268 1.00 25.00 N ATOM 171 NH2 ARG A 10 -15.458 7.781 3.442 1.00 25.00 N ATOM 0 H ARG A 10 -12.021 4.527 1.835 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.691 4.124 4.115 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.255 2.920 1.465 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -13.679 1.733 2.683 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.745 2.443 1.692 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.694 3.171 3.285 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -14.599 4.790 0.994 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -16.337 4.576 1.069 1.00 25.00 H new ATOM 0 HE ARG A 10 -15.714 5.361 3.644 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -14.998 6.791 0.473 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -14.980 8.428 1.137 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -15.655 7.440 4.383 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -15.339 8.780 3.276 1.00 25.00 H new ATOM 185 N TYR A 11 -10.901 2.478 4.050 1.00 25.00 N ATOM 186 CA TYR A 11 -10.001 1.671 4.863 1.00 25.00 C ATOM 187 C TYR A 11 -9.465 2.528 5.999 1.00 25.00 C ATOM 188 O TYR A 11 -9.355 2.077 7.141 1.00 25.00 O ATOM 189 CB TYR A 11 -8.851 1.150 4.013 1.00 25.00 C ATOM 190 CG TYR A 11 -7.849 0.376 4.813 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.149 -0.911 5.291 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.591 0.928 5.116 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.212 -1.627 6.064 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.649 0.199 5.882 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.974 -1.068 6.351 1.00 25.00 C ATOM 196 OH TYR A 11 -5.063 -1.761 7.102 1.00 25.00 O ATOM 0 H TYR A 11 -10.469 2.880 3.218 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.541 0.816 5.270 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.248 0.514 3.222 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.353 1.990 3.528 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.107 -1.356 5.064 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.341 1.917 4.761 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.458 -2.612 6.433 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.682 0.626 6.101 1.00 25.00 H new ATOM 0 HH TYR A 11 -4.378 -1.145 7.436 1.00 25.00 H new ATOM 206 N VAL A 12 -9.207 3.795 5.698 1.00 25.00 N ATOM 207 CA VAL A 12 -8.816 4.766 6.720 1.00 25.00 C ATOM 208 C VAL A 12 -9.895 4.791 7.794 1.00 25.00 C ATOM 209 O VAL A 12 -9.583 4.852 8.960 1.00 25.00 O ATOM 210 CB VAL A 12 -8.629 6.197 6.118 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.341 7.249 7.203 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.487 6.202 5.118 1.00 25.00 C ATOM 0 H VAL A 12 -9.261 4.177 4.754 1.00 25.00 H new ATOM 0 HA VAL A 12 -7.857 4.466 7.143 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.566 6.458 5.625 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.218 8.227 6.738 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.173 7.283 7.906 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.427 6.983 7.734 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.368 7.204 4.707 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.565 5.903 5.617 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.707 5.503 4.311 1.00 25.00 H new ATOM 222 N GLU A 13 -11.160 4.699 7.413 1.00 25.00 N ATOM 223 CA GLU A 13 -12.259 4.692 8.382 1.00 25.00 C ATOM 224 C GLU A 13 -12.221 3.505 9.341 1.00 25.00 C ATOM 225 O GLU A 13 -12.427 3.682 10.543 1.00 25.00 O ATOM 226 CB GLU A 13 -13.595 4.754 7.650 1.00 25.00 C ATOM 227 CG GLU A 13 -13.903 6.168 7.209 1.00 25.00 C ATOM 228 CD GLU A 13 -15.098 6.280 6.292 1.00 25.00 C ATOM 229 OE1 GLU A 13 -15.368 5.362 5.492 1.00 25.00 O ATOM 230 OE2 GLU A 13 -15.706 7.366 6.296 1.00 25.00 O ATOM 0 H GLU A 13 -11.457 4.628 6.440 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.136 5.579 9.004 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.570 4.095 6.782 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.389 4.391 8.303 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -14.077 6.783 8.092 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -13.029 6.578 6.702 1.00 25.00 H new ATOM 237 N GLN A 14 -11.869 2.322 8.857 1.00 25.00 N ATOM 238 CA GLN A 14 -11.687 1.183 9.759 1.00 25.00 C ATOM 239 C GLN A 14 -10.517 1.475 10.689 1.00 25.00 C ATOM 240 O GLN A 14 -10.565 1.204 11.890 1.00 25.00 O ATOM 241 CB GLN A 14 -11.404 -0.105 8.982 1.00 25.00 C ATOM 242 CG GLN A 14 -12.579 -0.604 8.160 1.00 25.00 C ATOM 243 CD GLN A 14 -13.828 -0.799 8.998 1.00 25.00 C ATOM 244 OE1 GLN A 14 -14.855 -0.211 8.730 1.00 25.00 O ATOM 245 NE2 GLN A 14 -13.736 -1.610 10.022 1.00 25.00 N ATOM 0 H GLN A 14 -11.706 2.123 7.870 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.606 1.041 10.328 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -10.555 0.063 8.319 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.110 -0.884 9.686 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -12.788 0.107 7.361 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -12.312 -1.548 7.685 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -12.856 -2.088 10.217 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.544 -1.764 10.625 1.00 25.00 H new ATOM 254 N LEU A 15 -9.470 2.069 10.139 1.00 25.00 N ATOM 255 CA LEU A 15 -8.301 2.423 10.929 1.00 25.00 C ATOM 256 C LEU A 15 -8.559 3.572 11.909 1.00 25.00 C ATOM 257 O LEU A 15 -7.861 3.675 12.910 1.00 25.00 O ATOM 258 CB LEU A 15 -7.121 2.774 10.028 1.00 25.00 C ATOM 259 CG LEU A 15 -6.433 1.646 9.248 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.239 2.260 8.533 1.00 25.00 C ATOM 261 CD2 LEU A 15 -5.954 0.500 10.151 1.00 25.00 C ATOM 0 H LEU A 15 -9.405 2.316 9.151 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.063 1.540 11.521 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.465 3.514 9.306 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.365 3.258 10.646 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.152 1.211 8.554 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.720 1.489 7.964 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.583 3.041 7.855 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -4.558 2.691 9.267 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.476 -0.267 9.542 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.239 0.884 10.878 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -6.807 0.068 10.675 1.00 25.00 H new ATOM 273 N LYS A 16 -9.554 4.421 11.654 1.00 25.00 N ATOM 274 CA LYS A 16 -9.891 5.516 12.584 1.00 25.00 C ATOM 275 C LYS A 16 -10.275 4.865 13.898 1.00 25.00 C ATOM 276 O LYS A 16 -9.933 5.357 14.968 1.00 25.00 O ATOM 277 CB LYS A 16 -11.058 6.393 12.073 1.00 25.00 C ATOM 278 CG LYS A 16 -10.717 7.331 10.892 1.00 25.00 C ATOM 279 CD LYS A 16 -11.979 8.021 10.319 1.00 25.00 C ATOM 280 CE LYS A 16 -11.681 8.708 8.963 1.00 25.00 C ATOM 281 NZ LYS A 16 -12.918 9.292 8.287 1.00 25.00 N ATOM 0 H LYS A 16 -10.141 4.379 10.821 1.00 25.00 H new ATOM 0 HA LYS A 16 -9.034 6.181 12.687 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.876 5.739 11.771 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.424 6.999 12.902 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -10.008 8.089 11.224 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.227 6.759 10.104 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.771 7.284 10.189 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.346 8.761 11.031 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -10.954 9.505 9.121 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.219 7.983 8.292 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -12.870 9.115 7.263 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -13.771 8.842 8.676 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -12.957 10.317 8.460 1.00 25.00 H new ATOM 295 N GLN A 17 -10.932 3.717 13.811 1.00 25.00 N ATOM 296 CA GLN A 17 -11.261 2.951 15.004 1.00 25.00 C ATOM 297 C GLN A 17 -10.053 2.146 15.478 1.00 25.00 C ATOM 298 O GLN A 17 -9.749 2.145 16.653 1.00 25.00 O ATOM 299 CB GLN A 17 -12.435 1.997 14.742 1.00 25.00 C ATOM 300 CG GLN A 17 -13.730 2.683 14.288 1.00 25.00 C ATOM 301 CD GLN A 17 -14.323 3.622 15.333 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.953 3.607 16.501 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.249 4.442 14.909 1.00 25.00 N ATOM 0 H GLN A 17 -11.245 3.299 12.935 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.549 3.661 15.780 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.136 1.276 13.982 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.638 1.434 15.653 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.532 3.246 13.376 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.467 1.920 14.038 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.533 4.428 13.929 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.687 5.096 15.558 1.00 25.00 H new ATOM 312 N ALA A 18 -9.378 1.446 14.577 1.00 25.00 N ATOM 313 CA ALA A 18 -8.280 0.556 14.972 1.00 25.00 C ATOM 314 C ALA A 18 -7.097 1.271 15.666 1.00 25.00 C ATOM 315 O ALA A 18 -6.586 0.785 16.679 1.00 25.00 O ATOM 316 CB ALA A 18 -7.785 -0.228 13.756 1.00 25.00 C ATOM 0 H ALA A 18 -9.564 1.472 13.574 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.694 -0.120 15.720 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -6.970 -0.887 14.055 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.603 -0.823 13.350 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.429 0.467 12.995 1.00 25.00 H new ATOM 322 N LEU A 19 -6.668 2.418 15.145 1.00 25.00 N ATOM 323 CA LEU A 19 -5.568 3.171 15.766 1.00 25.00 C ATOM 324 C LEU A 19 -6.021 3.614 17.161 1.00 25.00 C ATOM 325 O LEU A 19 -5.262 3.566 18.132 1.00 25.00 O ATOM 326 CB LEU A 19 -5.178 4.416 14.932 1.00 25.00 C ATOM 327 CG LEU A 19 -3.974 4.263 13.974 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.328 3.633 12.624 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.299 5.616 13.695 1.00 25.00 C ATOM 0 H LEU A 19 -7.056 2.847 14.305 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.690 2.527 15.822 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.045 4.716 14.343 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.963 5.233 15.621 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.297 3.590 14.500 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.430 3.560 12.010 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.740 2.637 12.784 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.066 4.253 12.116 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.457 5.470 13.018 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.019 6.294 13.237 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -2.942 6.044 14.631 1.00 25.00 H new ATOM 341 N LYS A 20 -7.280 4.024 17.251 1.00 25.00 N ATOM 342 CA LYS A 20 -7.861 4.499 18.508 1.00 25.00 C ATOM 343 C LYS A 20 -8.008 3.387 19.546 1.00 25.00 C ATOM 344 O LYS A 20 -7.773 3.619 20.725 1.00 25.00 O ATOM 345 CB LYS A 20 -9.233 5.123 18.217 1.00 25.00 C ATOM 346 CG LYS A 20 -9.944 5.704 19.428 1.00 25.00 C ATOM 347 CD LYS A 20 -11.314 6.244 19.027 1.00 25.00 C ATOM 348 CE LYS A 20 -12.072 6.807 20.228 1.00 25.00 C ATOM 349 NZ LYS A 20 -12.408 5.731 21.227 1.00 25.00 N ATOM 0 H LYS A 20 -7.927 4.038 16.462 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.181 5.239 18.931 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.107 5.912 17.475 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.873 4.363 17.768 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -10.057 4.937 20.194 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -9.343 6.503 19.863 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.192 7.024 18.275 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.899 5.447 18.568 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -11.470 7.577 20.711 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -12.989 7.287 19.887 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -13.076 6.106 21.930 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.840 4.923 20.735 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -11.540 5.419 21.707 1.00 25.00 H new ATOM 363 N THR A 21 -8.416 2.198 19.132 1.00 25.00 N ATOM 364 CA THR A 21 -8.682 1.112 20.079 1.00 25.00 C ATOM 365 C THR A 21 -7.425 0.560 20.736 1.00 25.00 C ATOM 366 O THR A 21 -7.492 0.073 21.855 1.00 25.00 O ATOM 367 CB THR A 21 -9.453 -0.050 19.415 1.00 25.00 C ATOM 368 OG1 THR A 21 -8.828 -0.405 18.180 1.00 25.00 O ATOM 369 CG2 THR A 21 -10.895 0.355 19.117 1.00 25.00 C ATOM 0 H THR A 21 -8.571 1.955 18.154 1.00 25.00 H new ATOM 0 HA THR A 21 -9.296 1.564 20.858 1.00 25.00 H new ATOM 0 HB THR A 21 -9.445 -0.893 20.105 1.00 25.00 H new ATOM 0 HG1 THR A 21 -9.321 -1.143 17.764 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.418 -0.479 18.650 1.00 25.00 H new ATOM 0 HG22 THR A 21 -11.397 0.623 20.047 1.00 25.00 H new ATOM 0 HG23 THR A 21 -10.900 1.211 18.442 1.00 25.00 H new ATOM 377 N ARG A 22 -6.268 0.674 20.090 1.00 25.00 N ATOM 378 CA ARG A 22 -5.024 0.245 20.746 1.00 25.00 C ATOM 379 C ARG A 22 -4.584 1.296 21.773 1.00 25.00 C ATOM 380 O ARG A 22 -3.736 1.033 22.618 1.00 25.00 O ATOM 381 CB ARG A 22 -3.903 -0.035 19.728 1.00 25.00 C ATOM 382 CG ARG A 22 -3.209 -1.416 19.922 1.00 25.00 C ATOM 383 CD ARG A 22 -2.567 -1.539 21.315 1.00 25.00 C ATOM 384 NE ARG A 22 -1.937 -2.846 21.573 1.00 25.00 N ATOM 385 CZ ARG A 22 -1.591 -3.299 22.774 1.00 25.00 C ATOM 386 NH1 ARG A 22 -1.798 -2.605 23.869 1.00 25.00 N ATOM 387 NH2 ARG A 22 -1.040 -4.472 22.881 1.00 25.00 N ATOM 0 H ARG A 22 -6.159 1.045 19.146 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.223 -0.694 21.263 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.318 0.014 18.721 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.153 0.752 19.802 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -3.940 -2.213 19.786 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.445 -1.550 19.156 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -1.816 -0.757 21.428 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -3.330 -1.360 22.072 1.00 25.00 H new ATOM 0 HE ARG A 22 -1.753 -3.448 20.770 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -2.238 -1.686 23.815 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -1.519 -2.985 24.774 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -0.876 -5.037 22.047 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -0.771 -4.827 23.799 1.00 25.00 H new ATOM 401 N GLY A 23 -5.174 2.482 21.701 1.00 25.00 N ATOM 402 CA GLY A 23 -4.894 3.529 22.674 1.00 25.00 C ATOM 403 C GLY A 23 -3.521 4.148 22.514 1.00 25.00 C ATOM 404 O GLY A 23 -3.012 4.791 23.430 1.00 25.00 O ATOM 0 H GLY A 23 -5.848 2.742 20.981 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.649 4.310 22.584 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.983 3.115 23.678 1.00 25.00 H new ATOM 408 N VAL A 24 -2.903 3.943 21.361 1.00 25.00 N ATOM 409 CA VAL A 24 -1.546 4.424 21.133 1.00 25.00 C ATOM 410 C VAL A 24 -1.585 5.675 20.249 1.00 25.00 C ATOM 411 O VAL A 24 -2.169 5.693 19.166 1.00 25.00 O ATOM 412 CB VAL A 24 -0.636 3.277 20.569 1.00 25.00 C ATOM 413 CG1 VAL A 24 -1.074 2.820 19.168 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.834 3.705 20.570 1.00 25.00 C ATOM 0 H VAL A 24 -3.316 3.449 20.570 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.090 4.720 22.078 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.751 2.419 21.232 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -0.413 2.025 18.821 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -2.098 2.448 19.210 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -1.022 3.662 18.478 1.00 25.00 H new ATOM 0 HG21 VAL A 24 1.449 2.896 20.175 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.956 4.591 19.946 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.146 3.934 21.589 1.00 25.00 H new ATOM 424 N LYS A 25 -1.012 6.756 20.759 1.00 25.00 N ATOM 425 CA LYS A 25 -1.039 8.041 20.058 1.00 25.00 C ATOM 426 C LYS A 25 0.067 8.142 19.000 1.00 25.00 C ATOM 427 O LYS A 25 1.131 8.713 19.236 1.00 25.00 O ATOM 428 CB LYS A 25 -0.969 9.208 21.061 1.00 25.00 C ATOM 429 CG LYS A 25 0.128 9.093 22.134 1.00 25.00 C ATOM 430 CD LYS A 25 0.168 10.351 22.997 1.00 25.00 C ATOM 431 CE LYS A 25 1.357 10.329 23.956 1.00 25.00 C ATOM 432 NZ LYS A 25 2.668 10.420 23.214 1.00 25.00 N ATOM 0 H LYS A 25 -0.523 6.774 21.654 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.988 8.107 19.526 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.814 10.133 20.506 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -1.934 9.294 21.560 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -0.059 8.221 22.761 1.00 25.00 H new ATOM 0 HG3 LYS A 25 1.096 8.941 21.657 1.00 25.00 H new ATOM 0 HD2 LYS A 25 0.230 11.231 22.357 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -0.759 10.434 23.565 1.00 25.00 H new ATOM 0 HE2 LYS A 25 1.276 11.160 24.657 1.00 25.00 H new ATOM 0 HE3 LYS A 25 1.334 9.412 24.545 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 3.429 10.657 23.882 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 2.875 9.506 22.762 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 2.604 11.160 22.486 1.00 25.00 H new ATOM 446 N VAL A 26 -0.216 7.617 17.819 1.00 25.00 N ATOM 447 CA VAL A 26 0.693 7.722 16.676 1.00 25.00 C ATOM 448 C VAL A 26 -0.053 8.405 15.542 1.00 25.00 C ATOM 449 O VAL A 26 -1.283 8.405 15.503 1.00 25.00 O ATOM 450 CB VAL A 26 1.220 6.328 16.198 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.123 5.709 17.264 1.00 25.00 C ATOM 452 CG2 VAL A 26 0.061 5.371 15.872 1.00 25.00 C ATOM 0 H VAL A 26 -1.077 7.107 17.620 1.00 25.00 H new ATOM 0 HA VAL A 26 1.566 8.299 16.981 1.00 25.00 H new ATOM 0 HB VAL A 26 1.796 6.486 15.286 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.482 4.740 16.918 1.00 25.00 H new ATOM 0 HG12 VAL A 26 2.973 6.367 17.448 1.00 25.00 H new ATOM 0 HG13 VAL A 26 1.559 5.578 18.188 1.00 25.00 H new ATOM 0 HG21 VAL A 26 0.462 4.412 15.543 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -0.550 5.223 16.763 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -0.552 5.799 15.079 1.00 25.00 H new ATOM 462 N LYS A 27 0.689 9.014 14.631 1.00 25.00 N ATOM 463 CA LYS A 27 0.088 9.684 13.484 1.00 25.00 C ATOM 464 C LYS A 27 -0.267 8.595 12.479 1.00 25.00 C ATOM 465 O LYS A 27 0.441 7.609 12.369 1.00 25.00 O ATOM 466 CB LYS A 27 1.095 10.681 12.899 1.00 25.00 C ATOM 467 CG LYS A 27 0.538 11.647 11.860 1.00 25.00 C ATOM 468 CD LYS A 27 1.512 12.817 11.593 1.00 25.00 C ATOM 469 CE LYS A 27 2.805 12.380 10.879 1.00 25.00 C ATOM 470 NZ LYS A 27 4.020 12.411 11.775 1.00 25.00 N ATOM 0 H LYS A 27 1.708 9.059 14.661 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.806 10.244 13.756 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.521 11.262 13.717 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.913 10.120 12.446 1.00 25.00 H new ATOM 0 HG2 LYS A 27 0.347 11.112 10.930 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.419 12.040 12.204 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.007 13.570 10.988 1.00 25.00 H new ATOM 0 HD3 LYS A 27 1.770 13.290 12.541 1.00 25.00 H new ATOM 0 HE2 LYS A 27 2.674 11.370 10.490 1.00 25.00 H new ATOM 0 HE3 LYS A 27 2.977 13.031 10.022 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 4.864 12.156 11.224 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 4.138 13.367 12.167 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 3.896 11.731 12.552 1.00 25.00 H new ATOM 484 N PHE A 28 -1.334 8.788 11.725 1.00 25.00 N ATOM 485 CA PHE A 28 -1.733 7.821 10.700 1.00 25.00 C ATOM 486 C PHE A 28 -0.619 7.582 9.701 1.00 25.00 C ATOM 487 O PHE A 28 -0.279 6.447 9.416 1.00 25.00 O ATOM 488 CB PHE A 28 -2.942 8.375 9.940 1.00 25.00 C ATOM 489 CG PHE A 28 -4.212 7.631 10.189 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.019 7.932 11.303 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.632 6.641 9.288 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.237 7.243 11.514 1.00 25.00 C ATOM 493 CE2 PHE A 28 -5.836 5.954 9.488 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.645 6.257 10.598 1.00 25.00 C ATOM 0 H PHE A 28 -1.944 9.602 11.797 1.00 25.00 H new ATOM 0 HA PHE A 28 -1.971 6.880 11.196 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.085 9.419 10.218 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.726 8.356 8.872 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.706 8.694 12.001 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.020 6.406 8.430 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.849 7.473 12.373 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.144 5.190 8.789 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.578 5.733 10.747 1.00 25.00 H new ATOM 504 N ALA A 29 -0.030 8.661 9.206 1.00 25.00 N ATOM 505 CA ALA A 29 1.063 8.561 8.246 1.00 25.00 C ATOM 506 C ALA A 29 2.230 7.770 8.834 1.00 25.00 C ATOM 507 O ALA A 29 2.896 7.031 8.131 1.00 25.00 O ATOM 508 CB ALA A 29 1.528 9.958 7.854 1.00 25.00 C ATOM 0 H ALA A 29 -0.290 9.616 9.452 1.00 25.00 H new ATOM 0 HA ALA A 29 0.703 8.035 7.362 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.345 9.882 7.136 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.699 10.504 7.404 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.873 10.489 8.741 1.00 25.00 H new ATOM 514 N ASP A 30 2.467 7.934 10.126 1.00 25.00 N ATOM 515 CA ASP A 30 3.573 7.249 10.787 1.00 25.00 C ATOM 516 C ASP A 30 3.266 5.765 10.909 1.00 25.00 C ATOM 517 O ASP A 30 4.169 4.951 10.841 1.00 25.00 O ATOM 518 CB ASP A 30 3.830 7.823 12.184 1.00 25.00 C ATOM 519 CG ASP A 30 4.365 9.243 12.149 1.00 25.00 C ATOM 520 OD1 ASP A 30 4.794 9.717 11.076 1.00 25.00 O ATOM 521 OD2 ASP A 30 4.250 9.938 13.185 1.00 25.00 O ATOM 0 H ASP A 30 1.912 8.532 10.738 1.00 25.00 H new ATOM 0 HA ASP A 30 4.466 7.398 10.179 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.902 7.804 12.756 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.541 7.185 12.709 1.00 25.00 H new ATOM 526 N LEU A 31 1.999 5.402 11.077 1.00 25.00 N ATOM 527 CA LEU A 31 1.650 3.987 11.174 1.00 25.00 C ATOM 528 C LEU A 31 1.682 3.326 9.805 1.00 25.00 C ATOM 529 O LEU A 31 2.378 2.333 9.595 1.00 25.00 O ATOM 530 CB LEU A 31 0.285 3.760 11.825 1.00 25.00 C ATOM 531 CG LEU A 31 0.365 2.608 12.859 1.00 25.00 C ATOM 532 CD1 LEU A 31 -0.951 2.403 13.542 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.796 1.284 12.246 1.00 25.00 C ATOM 0 H LEU A 31 1.213 6.048 11.148 1.00 25.00 H new ATOM 0 HA LEU A 31 2.402 3.529 11.817 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.048 4.675 12.315 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.454 3.521 11.061 1.00 25.00 H new ATOM 0 HG LEU A 31 1.124 2.917 13.578 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -0.865 1.589 14.262 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.238 3.317 14.061 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -1.710 2.153 12.801 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.832 0.519 13.021 1.00 25.00 H new ATOM 0 HD22 LEU A 31 0.081 0.989 11.478 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.784 1.395 11.799 1.00 25.00 H new ATOM 545 N LEU A 32 0.954 3.894 8.858 1.00 25.00 N ATOM 546 CA LEU A 32 0.945 3.358 7.488 1.00 25.00 C ATOM 547 C LEU A 32 2.319 3.382 6.828 1.00 25.00 C ATOM 548 O LEU A 32 2.575 2.608 5.918 1.00 25.00 O ATOM 549 CB LEU A 32 -0.034 4.102 6.589 1.00 25.00 C ATOM 550 CG LEU A 32 -1.524 3.728 6.647 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.790 2.229 6.604 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.174 4.349 7.828 1.00 25.00 C ATOM 0 H LEU A 32 0.366 4.715 8.999 1.00 25.00 H new ATOM 0 HA LEU A 32 0.629 2.321 7.598 1.00 25.00 H new ATOM 0 HB2 LEU A 32 0.049 5.164 6.819 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.299 3.972 5.559 1.00 25.00 H new ATOM 0 HG LEU A 32 -1.969 4.130 5.737 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.864 2.049 6.649 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.391 1.815 5.678 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.305 1.749 7.454 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.228 4.072 7.851 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.687 3.998 8.738 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.085 5.433 7.764 1.00 25.00 H new ATOM 564 N LYS A 33 3.229 4.207 7.325 1.00 25.00 N ATOM 565 CA LYS A 33 4.629 4.163 6.864 1.00 25.00 C ATOM 566 C LYS A 33 5.183 2.745 7.003 1.00 25.00 C ATOM 567 O LYS A 33 5.918 2.272 6.148 1.00 25.00 O ATOM 568 CB LYS A 33 5.498 5.127 7.682 1.00 25.00 C ATOM 569 CG LYS A 33 6.992 4.992 7.420 1.00 25.00 C ATOM 570 CD LYS A 33 7.791 5.999 8.231 1.00 25.00 C ATOM 571 CE LYS A 33 9.289 5.708 8.132 1.00 25.00 C ATOM 572 NZ LYS A 33 9.797 5.794 6.716 1.00 25.00 N ATOM 0 H LYS A 33 3.037 4.910 8.039 1.00 25.00 H new ATOM 0 HA LYS A 33 4.652 4.464 5.817 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.192 6.150 7.462 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.309 4.959 8.742 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.317 3.982 7.670 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.191 5.138 6.358 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.587 7.007 7.870 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.477 5.964 9.274 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.836 6.415 8.755 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.490 4.713 8.528 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 10.830 5.673 6.710 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 9.357 5.045 6.143 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 9.555 6.723 6.316 1.00 25.00 H new ATOM 586 N PHE A 34 4.821 2.061 8.074 1.00 25.00 N ATOM 587 CA PHE A 34 5.302 0.704 8.305 1.00 25.00 C ATOM 588 C PHE A 34 4.527 -0.321 7.483 1.00 25.00 C ATOM 589 O PHE A 34 5.066 -1.357 7.135 1.00 25.00 O ATOM 590 CB PHE A 34 5.279 0.393 9.798 1.00 25.00 C ATOM 591 CG PHE A 34 6.329 1.149 10.557 1.00 25.00 C ATOM 592 CD1 PHE A 34 7.633 0.633 10.685 1.00 25.00 C ATOM 593 CD2 PHE A 34 6.038 2.405 11.106 1.00 25.00 C ATOM 594 CE1 PHE A 34 8.640 1.373 11.352 1.00 25.00 C ATOM 595 CE2 PHE A 34 7.031 3.157 11.769 1.00 25.00 C ATOM 596 CZ PHE A 34 8.336 2.644 11.890 1.00 25.00 C ATOM 0 H PHE A 34 4.197 2.419 8.798 1.00 25.00 H new ATOM 0 HA PHE A 34 6.335 0.638 7.964 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.296 0.637 10.202 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.428 -0.677 9.946 1.00 25.00 H new ATOM 0 HD1 PHE A 34 7.868 -0.336 10.271 1.00 25.00 H new ATOM 0 HD2 PHE A 34 5.038 2.804 11.020 1.00 25.00 H new ATOM 0 HE1 PHE A 34 9.636 0.967 11.449 1.00 25.00 H new ATOM 0 HE2 PHE A 34 6.790 4.125 12.183 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.101 3.218 12.391 1.00 25.00 H new ATOM 606 N PHE A 35 3.303 0.006 7.093 1.00 25.00 N ATOM 607 CA PHE A 35 2.536 -0.850 6.173 1.00 25.00 C ATOM 608 C PHE A 35 3.183 -0.738 4.787 1.00 25.00 C ATOM 609 O PHE A 35 3.125 -1.649 3.977 1.00 25.00 O ATOM 610 CB PHE A 35 1.064 -0.417 6.078 1.00 25.00 C ATOM 611 CG PHE A 35 0.210 -0.819 7.275 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.635 -0.614 8.606 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.049 -1.410 7.062 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.181 -1.008 9.693 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.872 -1.794 8.151 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.433 -1.591 9.461 1.00 25.00 C ATOM 0 H PHE A 35 2.815 0.850 7.392 1.00 25.00 H new ATOM 0 HA PHE A 35 2.552 -1.874 6.546 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.023 0.666 5.966 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.629 -0.847 5.176 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.592 -0.152 8.796 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.394 -1.574 6.052 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.163 -0.858 10.706 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.837 -2.243 7.968 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.057 -1.883 10.293 1.00 25.00 H new ATOM 626 N ASP A 36 3.827 0.387 4.530 1.00 25.00 N ATOM 627 CA ASP A 36 4.542 0.590 3.274 1.00 25.00 C ATOM 628 C ASP A 36 5.894 -0.114 3.335 1.00 25.00 C ATOM 629 O ASP A 36 6.409 -0.601 2.337 1.00 25.00 O ATOM 630 CB ASP A 36 4.750 2.085 3.045 1.00 25.00 C ATOM 631 CG ASP A 36 4.748 2.453 1.586 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.813 2.026 0.872 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.588 3.283 1.181 1.00 25.00 O ATOM 0 H ASP A 36 3.872 1.177 5.173 1.00 25.00 H new ATOM 0 HA ASP A 36 3.959 0.175 2.452 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.964 2.640 3.557 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.697 2.389 3.491 1.00 25.00 H new ATOM 638 N PHE A 37 6.452 -0.184 4.534 1.00 25.00 N ATOM 639 CA PHE A 37 7.752 -0.810 4.751 1.00 25.00 C ATOM 640 C PHE A 37 7.717 -2.322 4.534 1.00 25.00 C ATOM 641 O PHE A 37 8.710 -2.905 4.123 1.00 25.00 O ATOM 642 CB PHE A 37 8.254 -0.493 6.161 1.00 25.00 C ATOM 643 CG PHE A 37 9.692 -0.865 6.386 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.725 -0.074 5.851 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.025 -2.016 7.124 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.083 -0.425 6.049 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.377 -2.378 7.328 1.00 25.00 C ATOM 648 CZ PHE A 37 12.407 -1.577 6.788 1.00 25.00 C ATOM 0 H PHE A 37 6.022 0.188 5.381 1.00 25.00 H new ATOM 0 HA PHE A 37 8.438 -0.396 4.012 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.129 0.573 6.351 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.633 -1.020 6.886 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.480 0.811 5.283 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.239 -2.630 7.539 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.867 0.190 5.634 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.621 -3.264 7.895 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.441 -1.848 6.942 1.00 25.00 H new ATOM 658 N VAL A 38 6.574 -2.965 4.750 1.00 25.00 N ATOM 659 CA VAL A 38 6.494 -4.406 4.475 1.00 25.00 C ATOM 660 C VAL A 38 6.679 -4.631 2.990 1.00 25.00 C ATOM 661 O VAL A 38 7.265 -5.617 2.593 1.00 25.00 O ATOM 662 CB VAL A 38 5.167 -5.104 4.977 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.376 -4.203 5.869 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.269 -5.621 3.828 1.00 25.00 C ATOM 0 H VAL A 38 5.717 -2.537 5.101 1.00 25.00 H new ATOM 0 HA VAL A 38 7.292 -4.877 5.049 1.00 25.00 H new ATOM 0 HB VAL A 38 5.498 -5.974 5.544 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.471 -4.716 6.195 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.975 -3.936 6.740 1.00 25.00 H new ATOM 0 HG13 VAL A 38 4.104 -3.299 5.324 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.377 -6.088 4.245 1.00 25.00 H new ATOM 0 HG22 VAL A 38 3.977 -4.786 3.190 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.819 -6.353 3.238 1.00 25.00 H new ATOM 674 N LYS A 39 6.215 -3.699 2.169 1.00 25.00 N ATOM 675 CA LYS A 39 6.329 -3.847 0.721 1.00 25.00 C ATOM 676 C LYS A 39 7.797 -3.764 0.310 1.00 25.00 C ATOM 677 O LYS A 39 8.236 -4.469 -0.586 1.00 25.00 O ATOM 678 CB LYS A 39 5.501 -2.760 0.020 1.00 25.00 C ATOM 679 CG LYS A 39 5.208 -3.012 -1.481 1.00 25.00 C ATOM 680 CD LYS A 39 6.292 -2.463 -2.438 1.00 25.00 C ATOM 681 CE LYS A 39 6.373 -0.936 -2.427 1.00 25.00 C ATOM 682 NZ LYS A 39 7.477 -0.468 -3.318 1.00 25.00 N ATOM 0 H LYS A 39 5.760 -2.839 2.475 1.00 25.00 H new ATOM 0 HA LYS A 39 5.941 -4.820 0.421 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.552 -2.655 0.545 1.00 25.00 H new ATOM 0 HB3 LYS A 39 6.025 -1.809 0.116 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.104 -4.085 -1.645 1.00 25.00 H new ATOM 0 HG3 LYS A 39 4.251 -2.557 -1.735 1.00 25.00 H new ATOM 0 HD2 LYS A 39 7.261 -2.876 -2.157 1.00 25.00 H new ATOM 0 HD3 LYS A 39 6.082 -2.804 -3.452 1.00 25.00 H new ATOM 0 HE2 LYS A 39 5.425 -0.513 -2.759 1.00 25.00 H new ATOM 0 HE3 LYS A 39 6.542 -0.581 -1.410 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 7.520 0.571 -3.301 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 8.382 -0.858 -2.984 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 7.299 -0.791 -4.290 1.00 25.00 H new ATOM 696 N ASP A 40 8.542 -2.908 0.997 1.00 25.00 N ATOM 697 CA ASP A 40 9.969 -2.685 0.716 1.00 25.00 C ATOM 698 C ASP A 40 10.788 -3.964 0.905 1.00 25.00 C ATOM 699 O ASP A 40 11.762 -4.191 0.205 1.00 25.00 O ATOM 700 CB ASP A 40 10.500 -1.581 1.647 1.00 25.00 C ATOM 701 CG ASP A 40 11.853 -1.032 1.212 1.00 25.00 C ATOM 702 OD1 ASP A 40 12.901 -1.535 1.685 1.00 25.00 O ATOM 703 OD2 ASP A 40 11.863 0.002 0.503 1.00 25.00 O ATOM 0 H ASP A 40 8.181 -2.344 1.767 1.00 25.00 H new ATOM 0 HA ASP A 40 10.070 -2.380 -0.325 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.778 -0.765 1.682 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.584 -1.977 2.659 1.00 25.00 H new ATOM 708 N THR A 41 10.372 -4.803 1.845 1.00 25.00 N ATOM 709 CA THR A 41 11.050 -6.079 2.101 1.00 25.00 C ATOM 710 C THR A 41 10.375 -7.267 1.402 1.00 25.00 C ATOM 711 O THR A 41 11.021 -8.238 1.021 1.00 25.00 O ATOM 712 CB THR A 41 11.056 -6.366 3.616 1.00 25.00 C ATOM 713 OG1 THR A 41 11.419 -5.175 4.316 1.00 25.00 O ATOM 714 CG2 THR A 41 12.049 -7.446 3.971 1.00 25.00 C ATOM 0 H THR A 41 9.567 -4.627 2.447 1.00 25.00 H new ATOM 0 HA THR A 41 12.060 -5.977 1.704 1.00 25.00 H new ATOM 0 HB THR A 41 10.058 -6.701 3.899 1.00 25.00 H new ATOM 0 HG1 THR A 41 12.351 -4.949 4.116 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.026 -7.622 5.046 1.00 25.00 H new ATOM 0 HG22 THR A 41 11.789 -8.366 3.447 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.050 -7.131 3.676 1.00 25.00 H new ATOM 722 N CYS A 42 9.057 -7.206 1.292 1.00 25.00 N ATOM 723 CA CYS A 42 8.251 -8.310 0.779 1.00 25.00 C ATOM 724 C CYS A 42 7.374 -7.898 -0.405 1.00 25.00 C ATOM 725 O CYS A 42 6.168 -7.672 -0.242 1.00 25.00 O ATOM 726 CB CYS A 42 7.340 -8.833 1.894 1.00 25.00 C ATOM 727 SG CYS A 42 8.232 -9.429 3.335 1.00 25.00 S ATOM 0 H CYS A 42 8.511 -6.386 1.557 1.00 25.00 H new ATOM 0 HA CYS A 42 8.943 -9.079 0.436 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.662 -8.036 2.201 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.724 -9.641 1.499 1.00 25.00 H new ATOM 0 HG CYS A 42 7.796 -10.611 3.657 1.00 25.00 H new ATOM 733 N PRO A 43 7.937 -7.872 -1.625 1.00 25.00 N ATOM 734 CA PRO A 43 7.103 -7.543 -2.788 1.00 25.00 C ATOM 735 C PRO A 43 6.134 -8.677 -3.125 1.00 25.00 C ATOM 736 O PRO A 43 5.179 -8.503 -3.872 1.00 25.00 O ATOM 737 CB PRO A 43 8.135 -7.334 -3.897 1.00 25.00 C ATOM 738 CG PRO A 43 9.249 -8.248 -3.529 1.00 25.00 C ATOM 739 CD PRO A 43 9.326 -8.175 -2.021 1.00 25.00 C ATOM 0 HA PRO A 43 6.465 -6.674 -2.627 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.724 -7.580 -4.876 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.468 -6.297 -3.942 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.053 -9.266 -3.866 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.186 -7.934 -3.989 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.671 -9.115 -1.590 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.017 -7.399 -1.690 1.00 25.00 H new ATOM 747 N TRP A 44 6.370 -9.833 -2.521 1.00 25.00 N ATOM 748 CA TRP A 44 5.522 -11.004 -2.689 1.00 25.00 C ATOM 749 C TRP A 44 4.358 -11.037 -1.699 1.00 25.00 C ATOM 750 O TRP A 44 3.436 -11.829 -1.856 1.00 25.00 O ATOM 751 CB TRP A 44 6.379 -12.256 -2.539 1.00 25.00 C ATOM 752 CG TRP A 44 7.450 -12.075 -1.516 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.288 -11.967 -0.186 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.869 -11.948 -1.743 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.478 -11.797 0.460 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.480 -11.767 -0.467 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.683 -11.956 -2.893 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.868 -11.588 -0.315 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.083 -11.776 -2.744 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.658 -11.590 -1.451 1.00 25.00 C ATOM 0 H TRP A 44 7.161 -9.985 -1.896 1.00 25.00 H new ATOM 0 HA TRP A 44 5.079 -10.960 -3.684 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.746 -13.098 -2.258 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.832 -12.504 -3.499 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.331 -12.010 0.312 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.599 -11.707 1.469 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.249 -12.097 -3.872 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.305 -11.453 0.663 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.719 -11.780 -3.617 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.725 -11.449 -1.358 1.00 25.00 H new ATOM 771 N PHE A 45 4.353 -10.158 -0.706 1.00 25.00 N ATOM 772 CA PHE A 45 3.223 -10.105 0.231 1.00 25.00 C ATOM 773 C PHE A 45 1.908 -9.736 -0.488 1.00 25.00 C ATOM 774 O PHE A 45 0.910 -10.453 -0.347 1.00 25.00 O ATOM 775 CB PHE A 45 3.504 -9.137 1.388 1.00 25.00 C ATOM 776 CG PHE A 45 2.416 -9.112 2.428 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.395 -10.071 3.459 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.403 -8.134 2.386 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.382 -10.050 4.451 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.379 -8.110 3.366 1.00 25.00 C ATOM 781 CZ PHE A 45 0.373 -9.067 4.403 1.00 25.00 C ATOM 0 H PHE A 45 5.097 -9.484 -0.525 1.00 25.00 H new ATOM 0 HA PHE A 45 3.103 -11.104 0.650 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.444 -9.415 1.864 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.635 -8.132 0.987 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.160 -10.832 3.495 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.407 -7.395 1.599 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.384 -10.786 5.242 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.396 -7.360 3.319 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.401 -9.046 5.156 1.00 25.00 H new ATOM 791 N PRO A 46 1.892 -8.656 -1.313 1.00 25.00 N ATOM 792 CA PRO A 46 0.615 -8.451 -2.006 1.00 25.00 C ATOM 793 C PRO A 46 0.294 -9.512 -3.064 1.00 25.00 C ATOM 794 O PRO A 46 -0.863 -9.686 -3.422 1.00 25.00 O ATOM 795 CB PRO A 46 0.797 -7.074 -2.653 1.00 25.00 C ATOM 796 CG PRO A 46 2.240 -6.982 -2.906 1.00 25.00 C ATOM 797 CD PRO A 46 2.857 -7.596 -1.680 1.00 25.00 C ATOM 0 HA PRO A 46 -0.225 -8.523 -1.316 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.225 -6.989 -3.577 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.457 -6.276 -1.993 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.523 -7.522 -3.810 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.558 -5.948 -3.039 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.845 -8.005 -1.888 1.00 25.00 H new ATOM 0 HD3 PRO A 46 2.977 -6.865 -0.880 1.00 25.00 H new ATOM 805 N GLN A 47 1.303 -10.238 -3.538 1.00 25.00 N ATOM 806 CA GLN A 47 1.085 -11.293 -4.530 1.00 25.00 C ATOM 807 C GLN A 47 0.389 -12.498 -3.901 1.00 25.00 C ATOM 808 O GLN A 47 -0.450 -13.128 -4.532 1.00 25.00 O ATOM 809 CB GLN A 47 2.411 -11.739 -5.150 1.00 25.00 C ATOM 810 CG GLN A 47 3.129 -10.634 -5.908 1.00 25.00 C ATOM 811 CD GLN A 47 4.371 -11.138 -6.610 1.00 25.00 C ATOM 812 OE1 GLN A 47 5.241 -11.742 -6.005 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.447 -10.911 -7.892 1.00 25.00 N ATOM 0 H GLN A 47 2.275 -10.118 -3.255 1.00 25.00 H new ATOM 0 HA GLN A 47 0.446 -10.882 -5.311 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.065 -12.111 -4.361 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.224 -12.571 -5.828 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.450 -10.198 -6.641 1.00 25.00 H new ATOM 0 HG3 GLN A 47 3.403 -9.839 -5.215 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.700 -10.402 -8.365 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.253 -11.242 -8.422 1.00 25.00 H new ATOM 822 N GLU A 48 0.704 -12.797 -2.645 1.00 25.00 N ATOM 823 CA GLU A 48 0.003 -13.872 -1.938 1.00 25.00 C ATOM 824 C GLU A 48 -1.437 -13.428 -1.697 1.00 25.00 C ATOM 825 O GLU A 48 -2.358 -14.244 -1.676 1.00 25.00 O ATOM 826 CB GLU A 48 0.667 -14.200 -0.596 1.00 25.00 C ATOM 827 CG GLU A 48 2.022 -14.887 -0.726 1.00 25.00 C ATOM 828 CD GLU A 48 2.304 -15.814 0.447 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.700 -16.915 0.490 1.00 25.00 O ATOM 830 OE2 GLU A 48 3.092 -15.455 1.350 1.00 25.00 O ATOM 0 H GLU A 48 1.425 -12.323 -2.101 1.00 25.00 H new ATOM 0 HA GLU A 48 0.039 -14.773 -2.550 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.792 -13.277 -0.029 1.00 25.00 H new ATOM 0 HB3 GLU A 48 0.000 -14.841 -0.019 1.00 25.00 H new ATOM 0 HG2 GLU A 48 2.052 -15.457 -1.654 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.807 -14.133 -0.789 1.00 25.00 H new ATOM 837 N GLY A 49 -1.615 -12.122 -1.526 1.00 25.00 N ATOM 838 CA GLY A 49 -2.938 -11.526 -1.400 1.00 25.00 C ATOM 839 C GLY A 49 -3.783 -12.053 -0.259 1.00 25.00 C ATOM 840 O GLY A 49 -5.002 -11.897 -0.270 1.00 25.00 O ATOM 0 H GLY A 49 -0.849 -11.451 -1.471 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.822 -10.449 -1.277 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.479 -11.684 -2.333 1.00 25.00 H new ATOM 844 N THR A 50 -3.145 -12.702 0.701 1.00 25.00 N ATOM 845 CA THR A 50 -3.840 -13.325 1.819 1.00 25.00 C ATOM 846 C THR A 50 -3.205 -12.829 3.100 1.00 25.00 C ATOM 847 O THR A 50 -1.983 -12.882 3.253 1.00 25.00 O ATOM 848 CB THR A 50 -3.722 -14.856 1.760 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.127 -15.325 0.471 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.602 -15.517 2.810 1.00 25.00 C ATOM 0 H THR A 50 -2.131 -12.813 0.729 1.00 25.00 H new ATOM 0 HA THR A 50 -4.897 -13.064 1.775 1.00 25.00 H new ATOM 0 HB THR A 50 -2.681 -15.115 1.951 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.469 -15.047 -0.200 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.497 -16.600 2.743 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.298 -15.183 3.802 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.643 -15.242 2.638 1.00 25.00 H new ATOM 858 N ILE A 51 -4.020 -12.319 4.002 1.00 25.00 N ATOM 859 CA ILE A 51 -3.533 -11.700 5.223 1.00 25.00 C ATOM 860 C ILE A 51 -3.960 -12.549 6.409 1.00 25.00 C ATOM 861 O ILE A 51 -5.080 -12.492 6.906 1.00 25.00 O ATOM 862 CB ILE A 51 -4.020 -10.237 5.311 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.465 -9.461 4.097 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.563 -9.566 6.634 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.980 -8.074 3.958 1.00 25.00 C ATOM 0 H ILE A 51 -5.036 -12.321 3.912 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.444 -11.656 5.226 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.110 -10.223 5.301 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.378 -9.425 4.172 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.703 -10.015 3.189 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.923 -8.537 6.663 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.971 -10.117 7.481 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.474 -9.571 6.688 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.536 -7.607 3.079 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -5.064 -8.098 3.847 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.719 -7.498 4.846 1.00 25.00 H new ATOM 877 N ASP A 52 -3.016 -13.362 6.839 1.00 25.00 N ATOM 878 CA ASP A 52 -3.189 -14.258 7.967 1.00 25.00 C ATOM 879 C ASP A 52 -1.890 -14.182 8.728 1.00 25.00 C ATOM 880 O ASP A 52 -0.884 -13.724 8.190 1.00 25.00 O ATOM 881 CB ASP A 52 -3.419 -15.691 7.495 1.00 25.00 C ATOM 882 CG ASP A 52 -3.504 -16.671 8.640 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.182 -16.375 9.640 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.749 -17.661 8.613 1.00 25.00 O ATOM 0 H ASP A 52 -2.093 -13.420 6.409 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.051 -13.977 8.571 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.340 -15.735 6.914 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.608 -15.985 6.829 1.00 25.00 H new ATOM 889 N ILE A 53 -1.890 -14.652 9.958 1.00 25.00 N ATOM 890 CA ILE A 53 -0.708 -14.615 10.794 1.00 25.00 C ATOM 891 C ILE A 53 0.419 -15.460 10.203 1.00 25.00 C ATOM 892 O ILE A 53 1.583 -15.136 10.365 1.00 25.00 O ATOM 893 CB ILE A 53 -1.088 -15.059 12.225 1.00 25.00 C ATOM 894 CG1 ILE A 53 0.046 -14.780 13.231 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.495 -16.536 12.272 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.398 -13.304 13.404 1.00 25.00 C ATOM 0 H ILE A 53 -2.706 -15.069 10.405 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.326 -13.595 10.839 1.00 25.00 H new ATOM 0 HB ILE A 53 -1.952 -14.462 12.517 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.239 -15.187 14.201 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.938 -15.317 12.910 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.755 -16.809 13.295 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.356 -16.697 11.623 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.664 -17.153 11.931 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.205 -13.205 14.130 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.718 -12.892 12.447 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.478 -12.760 13.759 1.00 25.00 H new ATOM 908 N LYS A 54 0.083 -16.497 9.448 1.00 25.00 N ATOM 909 CA LYS A 54 1.110 -17.320 8.793 1.00 25.00 C ATOM 910 C LYS A 54 1.845 -16.505 7.730 1.00 25.00 C ATOM 911 O LYS A 54 3.049 -16.648 7.556 1.00 25.00 O ATOM 912 CB LYS A 54 0.473 -18.561 8.165 1.00 25.00 C ATOM 913 CG LYS A 54 -0.169 -19.491 9.198 1.00 25.00 C ATOM 914 CD LYS A 54 -1.151 -20.455 8.548 1.00 25.00 C ATOM 915 CE LYS A 54 -2.114 -21.004 9.598 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.284 -21.696 8.963 1.00 25.00 N ATOM 0 H LYS A 54 -0.877 -16.792 9.271 1.00 25.00 H new ATOM 0 HA LYS A 54 1.831 -17.641 9.545 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.284 -18.249 7.445 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.233 -19.112 7.611 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.608 -20.055 9.714 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -0.686 -18.897 9.952 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.708 -19.945 7.762 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -0.610 -21.274 8.075 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -1.586 -21.702 10.248 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.470 -20.189 10.228 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -3.918 -22.057 9.704 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.801 -21.023 8.362 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -2.945 -22.489 8.382 1.00 25.00 H new ATOM 930 N ARG A 55 1.127 -15.621 7.051 1.00 25.00 N ATOM 931 CA ARG A 55 1.745 -14.742 6.053 1.00 25.00 C ATOM 932 C ARG A 55 2.462 -13.596 6.742 1.00 25.00 C ATOM 933 O ARG A 55 3.554 -13.225 6.355 1.00 25.00 O ATOM 934 CB ARG A 55 0.696 -14.169 5.092 1.00 25.00 C ATOM 935 CG ARG A 55 0.641 -14.891 3.755 1.00 25.00 C ATOM 936 CD ARG A 55 -0.403 -15.998 3.728 1.00 25.00 C ATOM 937 NE ARG A 55 -0.316 -16.719 2.451 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.181 -17.610 1.991 1.00 25.00 C ATOM 939 NH1 ARG A 55 -2.246 -17.976 2.661 1.00 25.00 N ATOM 940 NH2 ARG A 55 -0.957 -18.138 0.824 1.00 25.00 N ATOM 0 H ARG A 55 0.122 -15.490 7.168 1.00 25.00 H new ATOM 0 HA ARG A 55 2.457 -15.338 5.482 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.285 -14.220 5.565 1.00 25.00 H new ATOM 0 HB3 ARG A 55 0.911 -13.115 4.918 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.422 -14.171 2.967 1.00 25.00 H new ATOM 0 HG3 ARG A 55 1.621 -15.316 3.535 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.242 -16.686 4.558 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -1.400 -15.576 3.853 1.00 25.00 H new ATOM 0 HE ARG A 55 0.490 -16.513 1.861 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -2.436 -17.570 3.577 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -2.885 -18.666 2.266 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -0.133 -17.863 0.290 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -1.605 -18.827 0.443 1.00 25.00 H new ATOM 954 N TRP A 56 1.857 -13.052 7.783 1.00 25.00 N ATOM 955 CA TRP A 56 2.456 -11.938 8.514 1.00 25.00 C ATOM 956 C TRP A 56 3.760 -12.357 9.186 1.00 25.00 C ATOM 957 O TRP A 56 4.695 -11.572 9.280 1.00 25.00 O ATOM 958 CB TRP A 56 1.471 -11.402 9.547 1.00 25.00 C ATOM 959 CG TRP A 56 1.868 -10.061 10.086 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.203 -9.753 11.361 1.00 25.00 C ATOM 961 CD2 TRP A 56 1.991 -8.824 9.350 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.520 -8.433 11.495 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.411 -7.827 10.277 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.797 -8.460 8.001 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.653 -6.493 9.892 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.037 -7.117 7.610 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.458 -6.147 8.567 1.00 25.00 C ATOM 0 H TRP A 56 0.954 -13.359 8.144 1.00 25.00 H new ATOM 0 HA TRP A 56 2.688 -11.147 7.801 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.482 -11.329 9.095 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.393 -12.111 10.371 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.218 -10.465 12.173 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.794 -7.974 12.364 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.471 -9.192 7.277 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 2.982 -5.760 10.613 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.900 -6.827 6.579 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.627 -5.128 8.253 1.00 25.00 H new ATOM 978 N ARG A 57 3.846 -13.615 9.594 1.00 25.00 N ATOM 979 CA ARG A 57 5.083 -14.155 10.158 1.00 25.00 C ATOM 980 C ARG A 57 6.210 -14.093 9.150 1.00 25.00 C ATOM 981 O ARG A 57 7.280 -13.627 9.483 1.00 25.00 O ATOM 982 CB ARG A 57 4.871 -15.584 10.644 1.00 25.00 C ATOM 983 CG ARG A 57 4.342 -15.624 12.068 1.00 25.00 C ATOM 984 CD ARG A 57 3.812 -17.001 12.422 1.00 25.00 C ATOM 985 NE ARG A 57 3.666 -17.167 13.879 1.00 25.00 N ATOM 986 CZ ARG A 57 4.645 -17.503 14.716 1.00 25.00 C ATOM 987 NH1 ARG A 57 5.878 -17.711 14.316 1.00 25.00 N ATOM 988 NH2 ARG A 57 4.373 -17.632 15.986 1.00 25.00 N ATOM 0 H ARG A 57 3.077 -14.283 9.547 1.00 25.00 H new ATOM 0 HA ARG A 57 5.363 -13.540 11.013 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.171 -16.093 9.982 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.813 -16.129 10.591 1.00 25.00 H new ATOM 0 HG2 ARG A 57 5.137 -15.349 12.761 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.548 -14.886 12.184 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.847 -17.156 11.939 1.00 25.00 H new ATOM 0 HD3 ARG A 57 4.488 -17.763 12.034 1.00 25.00 H new ATOM 0 HE ARG A 57 2.740 -17.012 14.278 1.00 25.00 H new ATOM 0 HH11 ARG A 57 6.117 -17.617 13.329 1.00 25.00 H new ATOM 0 HH12 ARG A 57 6.597 -17.967 14.992 1.00 25.00 H new ATOM 0 HH21 ARG A 57 3.423 -17.476 16.322 1.00 25.00 H new ATOM 0 HH22 ARG A 57 5.111 -17.889 16.642 1.00 25.00 H new ATOM 1002 N ARG A 58 5.939 -14.456 7.901 1.00 25.00 N ATOM 1003 CA ARG A 58 6.957 -14.369 6.844 1.00 25.00 C ATOM 1004 C ARG A 58 7.495 -12.957 6.699 1.00 25.00 C ATOM 1005 O ARG A 58 8.656 -12.778 6.401 1.00 25.00 O ATOM 1006 CB ARG A 58 6.394 -14.814 5.490 1.00 25.00 C ATOM 1007 CG ARG A 58 6.132 -16.299 5.380 1.00 25.00 C ATOM 1008 CD ARG A 58 5.498 -16.620 4.033 1.00 25.00 C ATOM 1009 NE ARG A 58 5.538 -18.065 3.753 1.00 25.00 N ATOM 1010 CZ ARG A 58 4.999 -18.654 2.691 1.00 25.00 C ATOM 1011 NH1 ARG A 58 4.327 -17.997 1.783 1.00 25.00 N ATOM 1012 NH2 ARG A 58 5.143 -19.942 2.542 1.00 25.00 N ATOM 0 H ARG A 58 5.034 -14.811 7.591 1.00 25.00 H new ATOM 0 HA ARG A 58 7.766 -15.035 7.142 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.463 -14.278 5.304 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.093 -14.522 4.706 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.066 -16.850 5.492 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.473 -16.621 6.187 1.00 25.00 H new ATOM 0 HD2 ARG A 58 4.464 -16.274 4.024 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.022 -16.080 3.244 1.00 25.00 H new ATOM 0 HE ARG A 58 6.017 -18.661 4.428 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.199 -16.989 1.873 1.00 25.00 H new ATOM 0 HH12 ARG A 58 3.931 -18.492 0.984 1.00 25.00 H new ATOM 0 HH21 ARG A 58 5.663 -20.481 3.235 1.00 25.00 H new ATOM 0 HH22 ARG A 58 4.736 -20.410 1.733 1.00 25.00 H new ATOM 1026 N VAL A 59 6.659 -11.956 6.929 1.00 25.00 N ATOM 1027 CA VAL A 59 7.096 -10.560 6.835 1.00 25.00 C ATOM 1028 C VAL A 59 8.093 -10.243 7.944 1.00 25.00 C ATOM 1029 O VAL A 59 9.095 -9.572 7.725 1.00 25.00 O ATOM 1030 CB VAL A 59 5.898 -9.583 6.968 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.345 -8.153 6.803 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.830 -9.908 5.941 1.00 25.00 C ATOM 0 H VAL A 59 5.678 -12.077 7.181 1.00 25.00 H new ATOM 0 HA VAL A 59 7.560 -10.432 5.857 1.00 25.00 H new ATOM 0 HB VAL A 59 5.480 -9.703 7.968 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.486 -7.490 6.901 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.080 -7.911 7.571 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.793 -8.023 5.818 1.00 25.00 H new ATOM 0 HG21 VAL A 59 3.998 -9.213 6.049 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.250 -9.819 4.939 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.474 -10.927 6.096 1.00 25.00 H new ATOM 1042 N GLY A 60 7.814 -10.734 9.140 1.00 25.00 N ATOM 1043 CA GLY A 60 8.688 -10.473 10.266 1.00 25.00 C ATOM 1044 C GLY A 60 9.985 -11.241 10.143 1.00 25.00 C ATOM 1045 O GLY A 60 11.054 -10.725 10.466 1.00 25.00 O ATOM 0 H GLY A 60 6.999 -11.309 9.353 1.00 25.00 H new ATOM 0 HA2 GLY A 60 8.899 -9.405 10.326 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.185 -10.751 11.192 1.00 25.00 H new ATOM 1049 N ASP A 61 9.889 -12.455 9.623 1.00 25.00 N ATOM 1050 CA ASP A 61 11.058 -13.299 9.378 1.00 25.00 C ATOM 1051 C ASP A 61 11.936 -12.580 8.348 1.00 25.00 C ATOM 1052 O ASP A 61 13.156 -12.509 8.474 1.00 25.00 O ATOM 1053 CB ASP A 61 10.627 -14.674 8.827 1.00 25.00 C ATOM 1054 CG ASP A 61 9.700 -15.445 9.781 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.786 -15.266 11.016 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.855 -16.226 9.271 1.00 25.00 O ATOM 0 H ASP A 61 9.003 -12.886 9.358 1.00 25.00 H new ATOM 0 HA ASP A 61 11.603 -13.466 10.307 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.120 -14.533 7.873 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.515 -15.274 8.630 1.00 25.00 H new ATOM 1061 N CYS A 62 11.283 -11.995 7.352 1.00 25.00 N ATOM 1062 CA CYS A 62 11.964 -11.225 6.317 1.00 25.00 C ATOM 1063 C CYS A 62 12.665 -10.002 6.893 1.00 25.00 C ATOM 1064 O CYS A 62 13.809 -9.733 6.551 1.00 25.00 O ATOM 1065 CB CYS A 62 10.956 -10.755 5.270 1.00 25.00 C ATOM 1066 SG CYS A 62 11.233 -11.428 3.616 1.00 25.00 S ATOM 0 H CYS A 62 10.270 -12.040 7.238 1.00 25.00 H new ATOM 0 HA CYS A 62 12.711 -11.878 5.866 1.00 25.00 H new ATOM 0 HB2 CYS A 62 9.954 -11.030 5.598 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.986 -9.667 5.216 1.00 25.00 H new ATOM 0 HG CYS A 62 10.320 -10.980 2.807 1.00 25.00 H new ATOM 1072 N PHE A 63 11.996 -9.262 7.772 1.00 25.00 N ATOM 1073 CA PHE A 63 12.606 -8.065 8.361 1.00 25.00 C ATOM 1074 C PHE A 63 13.850 -8.434 9.132 1.00 25.00 C ATOM 1075 O PHE A 63 14.785 -7.652 9.191 1.00 25.00 O ATOM 1076 CB PHE A 63 11.686 -7.360 9.358 1.00 25.00 C ATOM 1077 CG PHE A 63 10.486 -6.680 8.749 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.536 -6.089 7.469 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.298 -6.586 9.495 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.407 -5.410 6.942 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.168 -5.901 8.983 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.226 -5.313 7.705 1.00 25.00 C ATOM 0 H PHE A 63 11.048 -9.461 8.091 1.00 25.00 H new ATOM 0 HA PHE A 63 12.819 -7.404 7.521 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.339 -8.091 10.088 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.268 -6.617 9.903 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.442 -6.154 6.885 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.246 -7.042 10.472 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.453 -4.968 5.958 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.265 -5.830 9.571 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.368 -4.789 7.310 1.00 25.00 H new ATOM 1092 N GLN A 64 13.854 -9.602 9.752 1.00 25.00 N ATOM 1093 CA GLN A 64 15.007 -10.020 10.540 1.00 25.00 C ATOM 1094 C GLN A 64 16.232 -10.175 9.648 1.00 25.00 C ATOM 1095 O GLN A 64 17.307 -9.710 9.994 1.00 25.00 O ATOM 1096 CB GLN A 64 14.718 -11.323 11.290 1.00 25.00 C ATOM 1097 CG GLN A 64 15.813 -11.689 12.285 1.00 25.00 C ATOM 1098 CD GLN A 64 15.435 -12.854 13.172 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.916 -13.855 12.721 1.00 25.00 O ATOM 1100 NE2 GLN A 64 15.699 -12.722 14.447 1.00 25.00 N ATOM 0 H GLN A 64 13.085 -10.271 9.728 1.00 25.00 H new ATOM 0 HA GLN A 64 15.211 -9.246 11.280 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.770 -11.229 11.819 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.603 -12.133 10.570 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.725 -11.934 11.740 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.036 -10.822 12.907 1.00 25.00 H new ATOM 0 HE21 GLN A 64 16.136 -11.867 14.792 1.00 25.00 H new ATOM 0 HE22 GLN A 64 15.468 -13.474 15.096 1.00 25.00 H new ATOM 1109 N ASP A 65 16.073 -10.781 8.483 1.00 25.00 N ATOM 1110 CA ASP A 65 17.207 -10.952 7.574 1.00 25.00 C ATOM 1111 C ASP A 65 17.592 -9.632 6.916 1.00 25.00 C ATOM 1112 O ASP A 65 18.765 -9.319 6.741 1.00 25.00 O ATOM 1113 CB ASP A 65 16.873 -11.969 6.500 1.00 25.00 C ATOM 1114 CG ASP A 65 18.111 -12.479 5.788 1.00 25.00 C ATOM 1115 OD1 ASP A 65 19.138 -12.695 6.472 1.00 25.00 O ATOM 1116 OD2 ASP A 65 18.057 -12.679 4.559 1.00 25.00 O ATOM 0 H ASP A 65 15.188 -11.159 8.143 1.00 25.00 H new ATOM 0 HA ASP A 65 18.052 -11.307 8.164 1.00 25.00 H new ATOM 0 HB2 ASP A 65 16.343 -12.809 6.950 1.00 25.00 H new ATOM 0 HB3 ASP A 65 16.198 -11.518 5.773 1.00 25.00 H new ATOM 1121 N TYR A 66 16.586 -8.826 6.621 1.00 25.00 N ATOM 1122 CA TYR A 66 16.790 -7.497 6.049 1.00 25.00 C ATOM 1123 C TYR A 66 17.607 -6.659 7.033 1.00 25.00 C ATOM 1124 O TYR A 66 18.468 -5.873 6.645 1.00 25.00 O ATOM 1125 CB TYR A 66 15.416 -6.861 5.801 1.00 25.00 C ATOM 1126 CG TYR A 66 15.274 -6.006 4.555 1.00 25.00 C ATOM 1127 CD1 TYR A 66 15.865 -6.391 3.328 1.00 25.00 C ATOM 1128 CD2 TYR A 66 14.476 -4.842 4.575 1.00 25.00 C ATOM 1129 CE1 TYR A 66 15.649 -5.629 2.148 1.00 25.00 C ATOM 1130 CE2 TYR A 66 14.252 -4.089 3.393 1.00 25.00 C ATOM 1131 CZ TYR A 66 14.838 -4.497 2.191 1.00 25.00 C ATOM 1132 OH TYR A 66 14.614 -3.787 1.040 1.00 25.00 O ATOM 0 H TYR A 66 15.607 -9.069 6.769 1.00 25.00 H new ATOM 0 HA TYR A 66 17.332 -7.554 5.105 1.00 25.00 H new ATOM 0 HB2 TYR A 66 14.676 -7.659 5.752 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.165 -6.246 6.665 1.00 25.00 H new ATOM 0 HD1 TYR A 66 16.487 -7.273 3.288 1.00 25.00 H new ATOM 0 HD2 TYR A 66 14.029 -4.519 5.504 1.00 25.00 H new ATOM 0 HE1 TYR A 66 16.113 -5.927 1.219 1.00 25.00 H new ATOM 0 HE2 TYR A 66 13.632 -3.205 3.422 1.00 25.00 H new ATOM 0 HH TYR A 66 14.028 -3.026 1.234 1.00 25.00 H new ATOM 1142 N PHE A 67 17.355 -6.871 8.316 1.00 25.00 N ATOM 1143 CA PHE A 67 18.097 -6.191 9.375 1.00 25.00 C ATOM 1144 C PHE A 67 19.502 -6.774 9.504 1.00 25.00 C ATOM 1145 O PHE A 67 20.462 -6.040 9.693 1.00 25.00 O ATOM 1146 CB PHE A 67 17.349 -6.336 10.705 1.00 25.00 C ATOM 1147 CG PHE A 67 17.997 -5.615 11.853 1.00 25.00 C ATOM 1148 CD1 PHE A 67 18.993 -6.246 12.624 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.601 -4.308 12.188 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.598 -5.574 13.713 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.188 -3.633 13.279 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.194 -4.265 14.041 1.00 25.00 C ATOM 0 H PHE A 67 16.638 -7.513 8.654 1.00 25.00 H new ATOM 0 HA PHE A 67 18.182 -5.135 9.120 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.333 -5.961 10.581 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.270 -7.395 10.952 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.298 -7.253 12.382 1.00 25.00 H new ATOM 0 HD2 PHE A 67 16.838 -3.815 11.603 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.368 -6.064 14.291 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.868 -2.633 13.531 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.652 -3.748 14.871 1.00 25.00 H new ATOM 1162 N ASN A 68 19.632 -8.088 9.392 1.00 25.00 N ATOM 1163 CA ASN A 68 20.938 -8.737 9.540 1.00 25.00 C ATOM 1164 C ASN A 68 21.904 -8.318 8.438 1.00 25.00 C ATOM 1165 O ASN A 68 23.097 -8.170 8.678 1.00 25.00 O ATOM 1166 CB ASN A 68 20.804 -10.266 9.484 1.00 25.00 C ATOM 1167 CG ASN A 68 20.082 -10.840 10.674 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.100 -10.288 11.767 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.465 -11.975 10.477 1.00 25.00 N ATOM 0 H ASN A 68 18.860 -8.726 9.201 1.00 25.00 H new ATOM 0 HA ASN A 68 21.326 -8.424 10.509 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.272 -10.545 8.575 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.798 -10.710 9.421 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.977 -12.431 11.248 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.472 -12.405 9.552 1.00 25.00 H new ATOM 1176 N THR A 69 21.399 -8.190 7.220 1.00 25.00 N ATOM 1177 CA THR A 69 22.262 -7.944 6.064 1.00 25.00 C ATOM 1178 C THR A 69 22.579 -6.458 5.835 1.00 25.00 C ATOM 1179 O THR A 69 23.567 -6.129 5.184 1.00 25.00 O ATOM 1180 CB THR A 69 21.650 -8.606 4.786 1.00 25.00 C ATOM 1181 OG1 THR A 69 22.676 -8.828 3.815 1.00 25.00 O ATOM 1182 CG2 THR A 69 20.581 -7.781 4.158 1.00 25.00 C ATOM 0 H THR A 69 20.404 -8.251 7.003 1.00 25.00 H new ATOM 0 HA THR A 69 23.223 -8.410 6.283 1.00 25.00 H new ATOM 0 HB THR A 69 21.203 -9.546 5.110 1.00 25.00 H new ATOM 0 HG1 THR A 69 22.287 -9.244 3.017 1.00 25.00 H new ATOM 0 HG21 THR A 69 20.196 -8.294 3.276 1.00 25.00 H new ATOM 0 HG22 THR A 69 19.771 -7.630 4.872 1.00 25.00 H new ATOM 0 HG23 THR A 69 20.992 -6.815 3.865 1.00 25.00 H new ATOM 1190 N PHE A 70 21.768 -5.559 6.388 1.00 25.00 N ATOM 1191 CA PHE A 70 21.993 -4.115 6.210 1.00 25.00 C ATOM 1192 C PHE A 70 22.242 -3.325 7.502 1.00 25.00 C ATOM 1193 O PHE A 70 22.610 -2.149 7.454 1.00 25.00 O ATOM 1194 CB PHE A 70 20.791 -3.482 5.528 1.00 25.00 C ATOM 1195 CG PHE A 70 20.702 -3.746 4.056 1.00 25.00 C ATOM 1196 CD1 PHE A 70 21.514 -3.024 3.160 1.00 25.00 C ATOM 1197 CD2 PHE A 70 19.789 -4.685 3.545 1.00 25.00 C ATOM 1198 CE1 PHE A 70 21.424 -3.239 1.764 1.00 25.00 C ATOM 1199 CE2 PHE A 70 19.683 -4.904 2.147 1.00 25.00 C ATOM 1200 CZ PHE A 70 20.502 -4.178 1.257 1.00 25.00 C ATOM 0 H PHE A 70 20.956 -5.795 6.958 1.00 25.00 H new ATOM 0 HA PHE A 70 22.902 -4.057 5.612 1.00 25.00 H new ATOM 0 HB2 PHE A 70 19.883 -3.849 6.006 1.00 25.00 H new ATOM 0 HB3 PHE A 70 20.823 -2.405 5.690 1.00 25.00 H new ATOM 0 HD1 PHE A 70 22.215 -2.297 3.543 1.00 25.00 H new ATOM 0 HD2 PHE A 70 19.162 -5.245 4.223 1.00 25.00 H new ATOM 0 HE1 PHE A 70 22.060 -2.685 1.089 1.00 25.00 H new ATOM 0 HE2 PHE A 70 18.976 -5.626 1.765 1.00 25.00 H new ATOM 0 HZ PHE A 70 20.423 -4.341 0.192 1.00 25.00 H new ATOM 1210 N GLY A 71 22.005 -3.937 8.648 1.00 25.00 N ATOM 1211 CA GLY A 71 22.172 -3.241 9.915 1.00 25.00 C ATOM 1212 C GLY A 71 20.993 -2.353 10.295 1.00 25.00 C ATOM 1213 O GLY A 71 20.009 -2.232 9.544 1.00 25.00 O ATOM 0 H GLY A 71 21.699 -4.906 8.730 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.329 -3.977 10.704 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.073 -2.630 9.866 1.00 25.00 H new ATOM 1217 N PRO A 72 21.063 -1.693 11.468 1.00 25.00 N ATOM 1218 CA PRO A 72 19.954 -0.871 11.973 1.00 25.00 C ATOM 1219 C PRO A 72 19.717 0.440 11.226 1.00 25.00 C ATOM 1220 O PRO A 72 18.692 1.094 11.413 1.00 25.00 O ATOM 1221 CB PRO A 72 20.371 -0.595 13.420 1.00 25.00 C ATOM 1222 CG PRO A 72 21.843 -0.593 13.376 1.00 25.00 C ATOM 1223 CD PRO A 72 22.185 -1.713 12.428 1.00 25.00 C ATOM 0 HA PRO A 72 19.005 -1.393 11.850 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.982 0.360 13.772 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.994 -1.362 14.097 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.230 0.362 13.020 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.271 -0.762 14.364 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.142 -1.545 11.934 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.257 -2.670 12.944 1.00 25.00 H new ATOM 1231 N GLU A 73 20.660 0.827 10.383 1.00 25.00 N ATOM 1232 CA GLU A 73 20.548 2.078 9.639 1.00 25.00 C ATOM 1233 C GLU A 73 19.530 1.951 8.505 1.00 25.00 C ATOM 1234 O GLU A 73 18.878 2.921 8.122 1.00 25.00 O ATOM 1235 CB GLU A 73 21.914 2.463 9.063 1.00 25.00 C ATOM 1236 CG GLU A 73 23.029 2.505 10.112 1.00 25.00 C ATOM 1237 CD GLU A 73 22.675 3.379 11.309 1.00 25.00 C ATOM 1238 OE1 GLU A 73 22.341 4.567 11.113 1.00 25.00 O ATOM 1239 OE2 GLU A 73 22.714 2.864 12.448 1.00 25.00 O ATOM 0 H GLU A 73 21.511 0.297 10.195 1.00 25.00 H new ATOM 0 HA GLU A 73 20.207 2.854 10.324 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.185 1.750 8.284 1.00 25.00 H new ATOM 0 HB3 GLU A 73 21.836 3.441 8.587 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.238 1.492 10.456 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.943 2.880 9.651 1.00 25.00 H new ATOM 1246 N LYS A 74 19.400 0.745 7.964 1.00 25.00 N ATOM 1247 CA LYS A 74 18.474 0.502 6.853 1.00 25.00 C ATOM 1248 C LYS A 74 17.136 0.014 7.371 1.00 25.00 C ATOM 1249 O LYS A 74 16.088 0.438 6.881 1.00 25.00 O ATOM 1250 CB LYS A 74 19.082 -0.511 5.894 1.00 25.00 C ATOM 1251 CG LYS A 74 18.698 -0.354 4.413 1.00 25.00 C ATOM 1252 CD LYS A 74 17.310 -0.896 4.082 1.00 25.00 C ATOM 1253 CE LYS A 74 17.099 -0.920 2.569 1.00 25.00 C ATOM 1254 NZ LYS A 74 15.718 -1.364 2.196 1.00 25.00 N ATOM 0 H LYS A 74 19.918 -0.078 8.271 1.00 25.00 H new ATOM 0 HA LYS A 74 18.306 1.437 6.319 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.167 -0.452 5.975 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.792 -1.510 6.220 1.00 25.00 H new ATOM 0 HG2 LYS A 74 18.740 0.702 4.145 1.00 25.00 H new ATOM 0 HG3 LYS A 74 19.436 -0.869 3.798 1.00 25.00 H new ATOM 0 HD2 LYS A 74 17.198 -1.901 4.488 1.00 25.00 H new ATOM 0 HD3 LYS A 74 16.548 -0.275 4.553 1.00 25.00 H new ATOM 0 HE2 LYS A 74 17.281 0.075 2.163 1.00 25.00 H new ATOM 0 HE3 LYS A 74 17.829 -1.589 2.113 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 15.425 -0.887 1.320 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 15.712 -2.393 2.048 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 15.057 -1.120 2.961 1.00 25.00 H new ATOM 1268 N VAL A 75 17.151 -0.849 8.379 1.00 25.00 N ATOM 1269 CA VAL A 75 15.900 -1.289 8.986 1.00 25.00 C ATOM 1270 C VAL A 75 15.939 -0.841 10.437 1.00 25.00 C ATOM 1271 O VAL A 75 16.867 -1.172 11.156 1.00 25.00 O ATOM 1272 CB VAL A 75 15.807 -2.848 8.938 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.483 -3.355 9.542 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.964 -3.345 7.498 1.00 25.00 C ATOM 0 H VAL A 75 17.995 -1.251 8.787 1.00 25.00 H new ATOM 0 HA VAL A 75 15.043 -0.872 8.457 1.00 25.00 H new ATOM 0 HB VAL A 75 16.621 -3.250 9.542 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.453 -4.443 9.492 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.413 -3.038 10.582 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.645 -2.943 8.980 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.897 -4.433 7.479 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.173 -2.922 6.879 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.934 -3.034 7.110 1.00 25.00 H new ATOM 1284 N PRO A 76 14.874 -0.191 10.926 1.00 25.00 N ATOM 1285 CA PRO A 76 14.962 0.192 12.336 1.00 25.00 C ATOM 1286 C PRO A 76 14.529 -0.927 13.269 1.00 25.00 C ATOM 1287 O PRO A 76 13.672 -1.734 12.928 1.00 25.00 O ATOM 1288 CB PRO A 76 14.000 1.371 12.419 1.00 25.00 C ATOM 1289 CG PRO A 76 12.944 1.057 11.417 1.00 25.00 C ATOM 1290 CD PRO A 76 13.646 0.328 10.290 1.00 25.00 C ATOM 0 HA PRO A 76 15.981 0.426 12.644 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.581 1.472 13.420 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.502 2.311 12.187 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.161 0.438 11.855 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.465 1.967 11.055 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.031 -0.477 9.889 1.00 25.00 H new ATOM 0 HD3 PRO A 76 13.876 0.997 9.461 1.00 25.00 H new ATOM 1298 N VAL A 77 15.028 -0.919 14.495 1.00 25.00 N ATOM 1299 CA VAL A 77 14.584 -1.896 15.487 1.00 25.00 C ATOM 1300 C VAL A 77 13.109 -1.667 15.845 1.00 25.00 C ATOM 1301 O VAL A 77 12.414 -2.575 16.296 1.00 25.00 O ATOM 1302 CB VAL A 77 15.464 -1.853 16.771 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.904 -2.267 16.440 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.462 -0.447 17.410 1.00 25.00 C ATOM 0 H VAL A 77 15.731 -0.259 14.828 1.00 25.00 H new ATOM 0 HA VAL A 77 14.692 -2.886 15.043 1.00 25.00 H new ATOM 0 HB VAL A 77 15.038 -2.555 17.488 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.510 -2.233 17.346 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.908 -3.280 16.039 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.319 -1.582 15.700 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.086 -0.453 18.304 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.856 0.277 16.697 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.443 -0.172 17.681 1.00 25.00 H new ATOM 1314 N THR A 78 12.604 -0.466 15.583 1.00 25.00 N ATOM 1315 CA THR A 78 11.199 -0.173 15.849 1.00 25.00 C ATOM 1316 C THR A 78 10.296 -0.847 14.827 1.00 25.00 C ATOM 1317 O THR A 78 9.117 -1.021 15.082 1.00 25.00 O ATOM 1318 CB THR A 78 10.905 1.357 15.886 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.741 1.603 16.678 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.666 1.944 14.512 1.00 25.00 C ATOM 0 H THR A 78 13.137 0.311 15.192 1.00 25.00 H new ATOM 0 HA THR A 78 10.984 -0.576 16.839 1.00 25.00 H new ATOM 0 HB THR A 78 11.789 1.832 16.312 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.559 2.566 16.701 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.467 3.012 14.602 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.549 1.791 13.892 1.00 25.00 H new ATOM 0 HG23 THR A 78 9.809 1.453 14.050 1.00 25.00 H new ATOM 1328 N ALA A 79 10.842 -1.277 13.694 1.00 25.00 N ATOM 1329 CA ALA A 79 10.023 -1.952 12.694 1.00 25.00 C ATOM 1330 C ALA A 79 9.468 -3.244 13.281 1.00 25.00 C ATOM 1331 O ALA A 79 8.333 -3.596 13.026 1.00 25.00 O ATOM 1332 CB ALA A 79 10.835 -2.239 11.440 1.00 25.00 C ATOM 0 H ALA A 79 11.827 -1.173 13.448 1.00 25.00 H new ATOM 0 HA ALA A 79 9.194 -1.302 12.414 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.206 -2.743 10.706 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.201 -1.302 11.021 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.681 -2.878 11.693 1.00 25.00 H new ATOM 1338 N PHE A 80 10.254 -3.919 14.108 1.00 25.00 N ATOM 1339 CA PHE A 80 9.804 -5.153 14.750 1.00 25.00 C ATOM 1340 C PHE A 80 8.753 -4.867 15.819 1.00 25.00 C ATOM 1341 O PHE A 80 7.853 -5.667 16.056 1.00 25.00 O ATOM 1342 CB PHE A 80 10.994 -5.870 15.383 1.00 25.00 C ATOM 1343 CG PHE A 80 12.068 -6.225 14.397 1.00 25.00 C ATOM 1344 CD1 PHE A 80 11.960 -7.391 13.619 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.189 -5.389 14.229 1.00 25.00 C ATOM 1346 CE1 PHE A 80 12.960 -7.725 12.681 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.192 -5.706 13.285 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.075 -6.878 12.509 1.00 25.00 C ATOM 0 H PHE A 80 11.203 -3.637 14.352 1.00 25.00 H new ATOM 0 HA PHE A 80 9.354 -5.788 13.987 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.420 -5.235 16.160 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.643 -6.780 15.871 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.103 -8.037 13.740 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.283 -4.496 14.828 1.00 25.00 H new ATOM 0 HE1 PHE A 80 12.872 -8.628 12.095 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.044 -5.054 13.158 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.837 -7.126 11.785 1.00 25.00 H new ATOM 1358 N SER A 81 8.854 -3.708 16.451 1.00 25.00 N ATOM 1359 CA SER A 81 7.885 -3.305 17.473 1.00 25.00 C ATOM 1360 C SER A 81 6.562 -2.963 16.795 1.00 25.00 C ATOM 1361 O SER A 81 5.494 -3.403 17.214 1.00 25.00 O ATOM 1362 CB SER A 81 8.404 -2.097 18.255 1.00 25.00 C ATOM 1363 OG SER A 81 7.513 -1.750 19.299 1.00 25.00 O ATOM 0 H SER A 81 9.594 -3.027 16.279 1.00 25.00 H new ATOM 0 HA SER A 81 7.737 -4.126 18.174 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.386 -2.322 18.670 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.529 -1.249 17.581 1.00 25.00 H new ATOM 0 HG SER A 81 7.866 -0.976 19.786 1.00 25.00 H new ATOM 1369 N TYR A 82 6.649 -2.233 15.694 1.00 25.00 N ATOM 1370 CA TYR A 82 5.478 -1.890 14.904 1.00 25.00 C ATOM 1371 C TYR A 82 4.857 -3.145 14.324 1.00 25.00 C ATOM 1372 O TYR A 82 3.648 -3.310 14.342 1.00 25.00 O ATOM 1373 CB TYR A 82 5.869 -0.947 13.770 1.00 25.00 C ATOM 1374 CG TYR A 82 5.638 0.498 14.119 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.390 1.089 13.862 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.649 1.284 14.721 1.00 25.00 C ATOM 1377 CE1 TYR A 82 4.149 2.454 14.185 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.408 2.645 15.053 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.159 3.215 14.776 1.00 25.00 C ATOM 1380 OH TYR A 82 4.922 4.532 15.084 1.00 25.00 O ATOM 0 H TYR A 82 7.526 -1.864 15.326 1.00 25.00 H new ATOM 0 HA TYR A 82 4.754 -1.395 15.551 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.921 -1.095 13.525 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.295 -1.199 12.878 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.603 0.500 13.414 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.613 0.845 14.930 1.00 25.00 H new ATOM 0 HE1 TYR A 82 3.188 2.899 13.974 1.00 25.00 H new ATOM 0 HE2 TYR A 82 7.184 3.236 15.516 1.00 25.00 H new ATOM 0 HH TYR A 82 5.724 4.922 15.491 1.00 25.00 H new ATOM 1390 N TRP A 83 5.694 -4.051 13.845 1.00 25.00 N ATOM 1391 CA TRP A 83 5.229 -5.310 13.284 1.00 25.00 C ATOM 1392 C TRP A 83 4.436 -6.094 14.319 1.00 25.00 C ATOM 1393 O TRP A 83 3.409 -6.695 14.003 1.00 25.00 O ATOM 1394 CB TRP A 83 6.435 -6.142 12.835 1.00 25.00 C ATOM 1395 CG TRP A 83 6.079 -7.489 12.296 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.772 -7.807 11.014 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.013 -8.736 13.025 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.510 -9.136 10.877 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.647 -9.745 12.090 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.227 -9.107 14.372 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.489 -11.089 12.459 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.088 -10.466 14.741 1.00 25.00 C ATOM 1403 CH2 TRP A 83 5.715 -11.443 13.774 1.00 25.00 C ATOM 0 H TRP A 83 6.707 -3.936 13.834 1.00 25.00 H new ATOM 0 HA TRP A 83 4.584 -5.097 12.432 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.980 -5.589 12.070 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.111 -6.268 13.680 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.739 -7.095 10.203 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.253 -9.602 10.007 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.493 -8.364 15.109 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.197 -11.831 11.730 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.266 -10.765 15.763 1.00 25.00 H new ATOM 0 HH2 TRP A 83 5.608 -12.475 14.074 1.00 25.00 H new ATOM 1414 N ASN A 84 4.903 -6.062 15.561 1.00 25.00 N ATOM 1415 CA ASN A 84 4.249 -6.778 16.654 1.00 25.00 C ATOM 1416 C ASN A 84 2.851 -6.234 16.938 1.00 25.00 C ATOM 1417 O ASN A 84 1.979 -6.980 17.382 1.00 25.00 O ATOM 1418 CB ASN A 84 5.096 -6.698 17.926 1.00 25.00 C ATOM 1419 CG ASN A 84 5.912 -7.941 18.152 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.400 -8.950 18.616 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.169 -7.887 17.823 1.00 25.00 N ATOM 0 H ASN A 84 5.737 -5.545 15.839 1.00 25.00 H new ATOM 0 HA ASN A 84 4.150 -7.818 16.342 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.761 -5.837 17.862 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.444 -6.534 18.784 1.00 25.00 H new ATOM 0 HD21 ASN A 84 7.765 -8.705 17.949 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.559 -7.026 17.439 1.00 25.00 H new ATOM 1428 N LEU A 85 2.630 -4.956 16.657 1.00 25.00 N ATOM 1429 CA LEU A 85 1.325 -4.334 16.873 1.00 25.00 C ATOM 1430 C LEU A 85 0.303 -4.917 15.906 1.00 25.00 C ATOM 1431 O LEU A 85 -0.819 -5.190 16.274 1.00 25.00 O ATOM 1432 CB LEU A 85 1.434 -2.811 16.695 1.00 25.00 C ATOM 1433 CG LEU A 85 0.197 -1.974 17.064 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.653 -0.618 17.598 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.729 -1.750 15.859 1.00 25.00 C ATOM 0 H LEU A 85 3.338 -4.327 16.278 1.00 25.00 H new ATOM 0 HA LEU A 85 0.994 -4.541 17.891 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.273 -2.459 17.296 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.681 -2.609 15.653 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.364 -2.523 17.820 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -0.219 -0.019 17.862 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.273 -0.765 18.482 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.230 -0.101 16.832 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.589 -1.155 16.166 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.185 -1.224 15.075 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -1.072 -2.713 15.479 1.00 25.00 H new ATOM 1447 N ILE A 86 0.687 -5.136 14.660 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.251 -5.717 13.702 1.00 25.00 C ATOM 1449 C ILE A 86 -0.314 -7.230 13.907 1.00 25.00 C ATOM 1450 O ILE A 86 -1.350 -7.858 13.722 1.00 25.00 O ATOM 1451 CB ILE A 86 0.136 -5.399 12.249 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.195 -3.878 12.044 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.887 -6.002 11.286 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.590 -3.370 11.761 1.00 25.00 C ATOM 0 H ILE A 86 1.615 -4.929 14.290 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.231 -5.274 13.881 1.00 25.00 H new ATOM 0 HB ILE A 86 1.116 -5.831 12.047 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.460 -3.604 11.217 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.192 -3.382 12.934 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.602 -5.770 10.260 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.918 -7.084 11.418 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.872 -5.583 11.492 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.563 -2.289 11.626 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.243 -3.615 12.598 1.00 25.00 H new ATOM 0 HD13 ILE A 86 1.971 -3.839 10.854 1.00 25.00 H new ATOM 1466 N LYS A 87 0.794 -7.811 14.339 1.00 25.00 N ATOM 1467 CA LYS A 87 0.874 -9.243 14.593 1.00 25.00 C ATOM 1468 C LYS A 87 -0.194 -9.675 15.582 1.00 25.00 C ATOM 1469 O LYS A 87 -0.904 -10.634 15.330 1.00 25.00 O ATOM 1470 CB LYS A 87 2.264 -9.557 15.140 1.00 25.00 C ATOM 1471 CG LYS A 87 2.516 -10.984 15.546 1.00 25.00 C ATOM 1472 CD LYS A 87 3.389 -11.002 16.795 1.00 25.00 C ATOM 1473 CE LYS A 87 2.528 -10.897 18.066 1.00 25.00 C ATOM 1474 NZ LYS A 87 3.364 -10.822 19.311 1.00 25.00 N ATOM 0 H LYS A 87 1.661 -7.306 14.523 1.00 25.00 H new ATOM 0 HA LYS A 87 0.705 -9.790 13.666 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.999 -9.282 14.384 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.443 -8.919 16.005 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.571 -11.492 15.741 1.00 25.00 H new ATOM 0 HG3 LYS A 87 3.007 -11.524 14.736 1.00 25.00 H new ATOM 0 HD2 LYS A 87 3.974 -11.921 16.822 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.097 -10.174 16.761 1.00 25.00 H new ATOM 0 HE2 LYS A 87 1.894 -10.012 18.002 1.00 25.00 H new ATOM 0 HE3 LYS A 87 1.865 -11.760 18.127 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 2.779 -10.485 20.102 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 3.739 -11.766 19.535 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 4.154 -10.163 19.159 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.320 -8.969 16.694 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.321 -9.329 17.701 1.00 25.00 C ATOM 1490 C GLU A 88 -2.733 -9.079 17.164 1.00 25.00 C ATOM 1491 O GLU A 88 -3.668 -9.801 17.504 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.082 -8.548 19.007 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.205 -7.038 18.851 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.865 -6.256 20.103 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -0.515 -6.857 21.140 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.957 -5.009 20.055 1.00 25.00 O ATOM 0 H GLU A 88 0.247 -8.153 16.926 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.224 -10.392 17.922 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.797 -8.886 19.757 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.087 -8.785 19.384 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.549 -6.713 18.043 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.225 -6.797 18.551 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.881 -8.087 16.294 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.187 -7.759 15.735 1.00 25.00 C ATOM 1505 C LEU A 89 -4.675 -8.821 14.766 1.00 25.00 C ATOM 1506 O LEU A 89 -5.854 -9.117 14.746 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.172 -6.383 15.064 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.088 -5.188 16.033 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -4.013 -3.892 15.223 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.273 -5.137 17.013 1.00 25.00 C ATOM 0 H LEU A 89 -2.117 -7.498 15.962 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.889 -7.728 16.568 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.324 -6.338 14.381 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -5.074 -6.280 14.461 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.189 -5.309 16.637 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.953 -3.041 15.902 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -3.128 -3.911 14.587 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.904 -3.799 14.602 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.163 -4.276 17.672 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.204 -5.049 16.454 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.292 -6.050 17.608 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.782 -9.425 13.994 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.189 -10.510 13.097 1.00 25.00 C ATOM 1524 C ILE A 90 -4.350 -11.801 13.897 1.00 25.00 C ATOM 1525 O ILE A 90 -5.310 -12.546 13.702 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.163 -10.781 11.963 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.937 -9.522 11.107 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.684 -11.919 11.040 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.735 -9.648 10.172 1.00 25.00 C ATOM 0 H ILE A 90 -2.789 -9.192 13.966 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.127 -10.195 12.640 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.221 -11.070 12.429 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.832 -9.325 10.516 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.793 -8.664 11.763 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -2.960 -12.104 10.247 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.821 -12.828 11.625 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.636 -11.623 10.600 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.626 -8.730 9.594 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.833 -9.816 10.760 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.888 -10.488 9.494 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.413 -12.062 14.800 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.417 -13.300 15.589 1.00 25.00 C ATOM 1543 C ASP A 91 -4.708 -13.436 16.384 1.00 25.00 C ATOM 1544 O ASP A 91 -5.227 -14.532 16.567 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.220 -13.314 16.544 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.050 -14.644 17.249 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.342 -15.519 16.705 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.576 -14.797 18.374 1.00 25.00 O ATOM 0 H ASP A 91 -2.636 -11.435 15.009 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.345 -14.142 14.901 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.312 -13.085 15.986 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.344 -12.527 17.287 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.252 -12.306 16.817 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.509 -12.288 17.560 1.00 25.00 C ATOM 1555 C LYS A 92 -7.565 -11.469 16.823 1.00 25.00 C ATOM 1556 O LYS A 92 -8.399 -10.814 17.448 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.268 -11.744 18.976 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.284 -12.581 19.835 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.970 -13.716 20.641 1.00 25.00 C ATOM 1560 CE LYS A 92 -6.311 -14.970 19.815 1.00 25.00 C ATOM 1561 NZ LYS A 92 -5.114 -15.692 19.269 1.00 25.00 N ATOM 0 H LYS A 92 -4.841 -11.385 16.666 1.00 25.00 H new ATOM 0 HA LYS A 92 -6.887 -13.307 17.641 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.886 -10.726 18.899 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.224 -11.687 19.496 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.527 -13.017 19.183 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.765 -11.918 20.527 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -5.317 -14.005 21.464 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.887 -13.327 21.083 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -6.883 -15.657 20.438 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -6.956 -14.680 18.985 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -5.225 -15.822 18.243 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -4.257 -15.134 19.457 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -5.030 -16.621 19.728 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.565 -11.530 15.494 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.564 -10.793 14.696 1.00 25.00 C ATOM 1577 C LYS A 93 -9.967 -11.325 14.960 1.00 25.00 C ATOM 1578 O LYS A 93 -10.955 -10.638 14.762 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.234 -10.828 13.195 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.383 -12.181 12.498 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.853 -12.070 11.066 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.003 -13.366 10.274 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.438 -13.638 9.914 1.00 25.00 N ATOM 0 H LYS A 93 -6.898 -12.072 14.945 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.529 -9.750 15.010 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -8.877 -10.109 12.687 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.207 -10.487 13.063 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.833 -12.947 13.044 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.430 -12.486 12.489 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.384 -11.271 10.549 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -6.801 -11.787 11.095 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.405 -13.307 9.365 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.611 -14.197 10.860 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.483 -14.076 8.972 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.856 -14.282 10.615 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -9.969 -12.744 9.905 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.022 -12.542 15.475 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.268 -13.208 15.853 1.00 25.00 C ATOM 1599 C GLU A 94 -12.060 -12.450 16.928 1.00 25.00 C ATOM 1600 O GLU A 94 -13.282 -12.507 16.942 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.933 -14.621 16.359 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.729 -14.666 17.324 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.435 -16.061 17.841 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.466 -17.017 17.044 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -9.077 -16.180 19.032 1.00 25.00 O ATOM 0 H GLU A 94 -9.191 -13.108 15.647 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.904 -13.243 14.968 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.807 -15.033 16.863 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.726 -15.264 15.504 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.847 -14.280 16.813 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.923 -14.005 18.169 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.372 -11.726 17.802 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.030 -10.974 18.881 1.00 25.00 C ATOM 1614 C VAL A 95 -11.837 -9.473 18.674 1.00 25.00 C ATOM 1615 O VAL A 95 -12.158 -8.660 19.534 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.498 -11.406 20.284 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.873 -12.871 20.566 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -9.972 -11.239 20.382 1.00 25.00 C ATOM 0 H VAL A 95 -10.356 -11.639 17.791 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.096 -11.201 18.847 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.963 -10.759 21.028 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.497 -13.161 21.547 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.957 -12.979 20.547 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.431 -13.513 19.804 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.635 -11.549 21.371 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.489 -11.856 19.624 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.709 -10.194 20.220 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.330 -9.116 17.504 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.111 -7.717 17.137 1.00 25.00 C ATOM 1630 C ASN A 96 -11.848 -7.430 15.822 1.00 25.00 C ATOM 1631 O ASN A 96 -11.243 -7.404 14.751 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.610 -7.440 16.990 1.00 25.00 C ATOM 1633 CG ASN A 96 -8.936 -7.193 18.309 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.042 -6.115 18.873 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.226 -8.170 18.798 1.00 25.00 N ATOM 0 H ASN A 96 -11.058 -9.782 16.781 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.499 -7.062 17.917 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.135 -8.288 16.496 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.466 -6.573 16.345 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -7.733 -8.049 19.683 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.163 -9.056 18.296 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.178 -7.239 15.875 1.00 25.00 N ATOM 1643 CA PRO A 97 -13.894 -7.109 14.596 1.00 25.00 C ATOM 1644 C PRO A 97 -13.597 -5.835 13.800 1.00 25.00 C ATOM 1645 O PRO A 97 -13.736 -5.822 12.577 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.364 -7.160 15.025 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.361 -6.615 16.410 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.109 -7.189 17.020 1.00 25.00 C ATOM 0 HA PRO A 97 -13.587 -7.892 13.903 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -15.992 -6.563 14.364 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.751 -8.179 14.999 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.343 -5.525 16.411 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.250 -6.919 16.962 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.727 -6.561 17.825 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.283 -8.178 17.443 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.156 -4.776 14.470 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.834 -3.528 13.781 1.00 25.00 C ATOM 1658 C GLN A 98 -11.614 -3.736 12.886 1.00 25.00 C ATOM 1659 O GLN A 98 -11.554 -3.191 11.781 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.641 -2.344 14.764 1.00 25.00 C ATOM 1661 CG GLN A 98 -11.358 -2.318 15.611 1.00 25.00 C ATOM 1662 CD GLN A 98 -11.299 -3.406 16.669 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -11.118 -4.562 16.358 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -11.461 -3.038 17.907 1.00 25.00 N ATOM 0 H GLN A 98 -13.014 -4.754 15.480 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.683 -3.254 13.154 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.681 -1.420 14.187 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -13.492 -2.332 15.445 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -10.496 -2.419 14.951 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -11.275 -1.346 16.098 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -11.611 -2.054 18.131 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -11.438 -3.733 18.653 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.663 -4.553 13.329 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.502 -4.843 12.497 1.00 25.00 C ATOM 1675 C VAL A 99 -9.796 -5.974 11.532 1.00 25.00 C ATOM 1676 O VAL A 99 -9.261 -5.986 10.458 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.197 -5.133 13.307 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.109 -4.195 14.511 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.097 -6.602 13.741 1.00 25.00 C ATOM 0 H VAL A 99 -10.671 -5.016 14.238 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.308 -3.930 11.934 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.348 -4.945 12.649 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.197 -4.404 15.069 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.094 -3.161 14.166 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.973 -4.350 15.157 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.174 -6.754 14.300 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -8.949 -6.854 14.372 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -8.097 -7.243 12.859 1.00 25.00 H new ATOM 1689 N MET A 100 -10.670 -6.904 11.891 1.00 25.00 N ATOM 1690 CA MET A 100 -10.993 -8.032 11.012 1.00 25.00 C ATOM 1691 C MET A 100 -11.596 -7.524 9.702 1.00 25.00 C ATOM 1692 O MET A 100 -11.232 -7.971 8.619 1.00 25.00 O ATOM 1693 CB MET A 100 -11.982 -8.963 11.713 1.00 25.00 C ATOM 1694 CG MET A 100 -11.749 -10.460 11.493 1.00 25.00 C ATOM 1695 SD MET A 100 -11.479 -10.980 9.778 1.00 25.00 S ATOM 1696 CE MET A 100 -13.119 -10.764 9.045 1.00 25.00 C ATOM 0 H MET A 100 -11.169 -6.905 12.780 1.00 25.00 H new ATOM 0 HA MET A 100 -10.078 -8.581 10.788 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.947 -8.761 12.784 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.988 -8.716 11.375 1.00 25.00 H new ATOM 0 HG2 MET A 100 -10.885 -10.763 12.084 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.609 -11.003 11.885 1.00 25.00 H new ATOM 0 HE1 MET A 100 -13.088 -11.049 7.993 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.838 -11.393 9.570 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.420 -9.720 9.129 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.468 -6.532 9.795 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.048 -5.928 8.600 1.00 25.00 C ATOM 1708 C ALA A 101 -11.965 -5.197 7.788 1.00 25.00 C ATOM 1709 O ALA A 101 -12.066 -5.065 6.574 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.162 -4.964 9.002 1.00 25.00 C ATOM 0 H ALA A 101 -12.789 -6.129 10.676 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.469 -6.713 7.972 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.594 -4.514 8.108 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.935 -5.508 9.544 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.753 -4.181 9.641 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.919 -4.747 8.466 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.821 -4.051 7.816 1.00 25.00 C ATOM 1718 C ALA A 102 -8.893 -5.081 7.152 1.00 25.00 C ATOM 1719 O ALA A 102 -8.309 -4.807 6.117 1.00 25.00 O ATOM 1720 CB ALA A 102 -9.058 -3.196 8.848 1.00 25.00 C ATOM 0 H ALA A 102 -10.809 -4.853 9.474 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.207 -3.382 7.046 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.236 -2.677 8.354 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.737 -2.465 9.288 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.661 -3.841 9.632 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.796 -6.274 7.728 1.00 25.00 N ATOM 1727 CA VAL A 103 -7.998 -7.356 7.139 1.00 25.00 C ATOM 1728 C VAL A 103 -8.607 -7.694 5.794 1.00 25.00 C ATOM 1729 O VAL A 103 -7.910 -7.721 4.782 1.00 25.00 O ATOM 1730 CB VAL A 103 -7.990 -8.640 8.044 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.336 -9.819 7.328 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.249 -8.366 9.359 1.00 25.00 C ATOM 0 H VAL A 103 -9.258 -6.522 8.603 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.965 -7.023 7.041 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.027 -8.896 8.259 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.346 -10.692 7.981 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.888 -10.042 6.415 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.306 -9.566 7.076 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.253 -9.266 9.973 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.220 -8.079 9.144 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.747 -7.558 9.896 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.917 -7.895 5.784 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.628 -8.227 4.558 1.00 25.00 C ATOM 1744 C ALA A 104 -10.479 -7.098 3.535 1.00 25.00 C ATOM 1745 O ALA A 104 -10.178 -7.342 2.377 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.103 -8.486 4.871 1.00 25.00 C ATOM 0 H ALA A 104 -10.509 -7.834 6.612 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.198 -9.132 4.128 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.632 -8.734 3.951 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.186 -9.316 5.572 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.544 -7.592 5.313 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.642 -5.859 3.976 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.489 -4.725 3.071 1.00 25.00 C ATOM 1754 C GLN A 105 -9.077 -4.629 2.505 1.00 25.00 C ATOM 1755 O GLN A 105 -8.904 -4.301 1.343 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.841 -3.415 3.773 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.327 -3.084 3.693 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.633 -1.674 4.149 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.957 -0.723 3.771 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.654 -1.528 4.952 1.00 25.00 N ATOM 0 H GLN A 105 -10.876 -5.614 4.938 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.179 -4.892 2.244 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.543 -3.477 4.820 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.268 -2.603 3.326 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.670 -3.213 2.666 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.887 -3.790 4.307 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -14.193 -2.343 5.245 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.912 -0.599 5.286 1.00 25.00 H new ATOM 1769 N THR A 106 -8.058 -4.924 3.297 1.00 25.00 N ATOM 1770 CA THR A 106 -6.693 -4.847 2.789 1.00 25.00 C ATOM 1771 C THR A 106 -6.495 -5.941 1.740 1.00 25.00 C ATOM 1772 O THR A 106 -5.884 -5.702 0.706 1.00 25.00 O ATOM 1773 CB THR A 106 -5.644 -4.983 3.912 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.954 -4.080 4.969 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.248 -4.624 3.416 1.00 25.00 C ATOM 0 H THR A 106 -8.143 -5.213 4.272 1.00 25.00 H new ATOM 0 HA THR A 106 -6.548 -3.864 2.341 1.00 25.00 H new ATOM 0 HB THR A 106 -5.664 -6.019 4.249 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.751 -4.394 5.444 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.533 -4.730 4.232 1.00 25.00 H new ATOM 0 HG22 THR A 106 -3.969 -5.291 2.600 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.242 -3.594 3.061 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.064 -7.120 1.966 1.00 25.00 N ATOM 1784 CA GLU A 107 -6.989 -8.193 0.973 1.00 25.00 C ATOM 1785 C GLU A 107 -7.655 -7.762 -0.336 1.00 25.00 C ATOM 1786 O GLU A 107 -7.129 -8.049 -1.404 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.648 -9.482 1.486 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.853 -10.175 2.582 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.488 -11.479 3.047 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.727 -11.557 3.141 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.725 -12.427 3.350 1.00 25.00 O ATOM 0 H GLU A 107 -7.576 -7.358 2.815 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.933 -8.395 0.792 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.643 -9.247 1.863 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.778 -10.171 0.652 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.845 -10.378 2.219 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.756 -9.501 3.433 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.776 -7.055 -0.265 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.460 -6.554 -1.470 1.00 25.00 C ATOM 1800 C GLU A 108 -8.617 -5.508 -2.203 1.00 25.00 C ATOM 1801 O GLU A 108 -8.470 -5.549 -3.427 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.794 -5.892 -1.100 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.862 -6.837 -0.583 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.124 -6.086 -0.172 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.033 -5.180 0.691 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.199 -6.378 -0.734 1.00 25.00 O ATOM 0 H GLU A 108 -9.238 -6.811 0.611 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.622 -7.417 -2.116 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.606 -5.132 -0.342 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.182 -5.377 -1.979 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.107 -7.567 -1.354 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.474 -7.393 0.271 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.068 -4.566 -1.448 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.278 -3.463 -2.011 1.00 25.00 C ATOM 1815 C ILE A 109 -6.049 -4.024 -2.720 1.00 25.00 C ATOM 1816 O ILE A 109 -5.642 -3.521 -3.768 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.864 -2.453 -0.887 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.117 -1.733 -0.354 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.860 -1.392 -1.410 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -7.943 -1.124 1.038 1.00 25.00 C ATOM 0 H ILE A 109 -8.153 -4.539 -0.432 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.885 -2.922 -2.737 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.381 -3.021 -0.092 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.394 -0.943 -1.052 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -8.946 -2.440 -0.328 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.597 -0.710 -0.601 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -4.960 -1.890 -1.772 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.316 -0.830 -2.225 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.870 -0.636 1.340 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.698 -1.911 1.751 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.137 -0.390 1.016 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.494 -5.101 -2.189 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.340 -5.749 -2.808 1.00 25.00 C ATOM 1834 C LEU A 110 -4.672 -6.306 -4.195 1.00 25.00 C ATOM 1835 O LEU A 110 -3.855 -6.207 -5.099 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.828 -6.867 -1.895 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.649 -6.510 -0.966 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.718 -5.107 -0.338 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.558 -7.560 0.141 1.00 25.00 C ATOM 0 H LEU A 110 -5.820 -5.548 -1.332 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.562 -4.997 -2.940 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.658 -7.210 -1.277 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.527 -7.708 -2.520 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.759 -6.502 -1.596 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.847 -4.950 0.298 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.732 -4.355 -1.127 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.624 -5.021 0.261 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.728 -7.318 0.804 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.487 -7.569 0.711 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.394 -8.542 -0.302 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.871 -6.848 -4.384 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.271 -7.374 -5.703 1.00 25.00 C ATOM 1853 C LYS A 111 -6.519 -6.246 -6.694 1.00 25.00 C ATOM 1854 O LYS A 111 -6.426 -6.434 -7.898 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.560 -8.210 -5.606 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.579 -9.247 -4.491 1.00 25.00 C ATOM 1857 CD LYS A 111 -6.532 -10.339 -4.640 1.00 25.00 C ATOM 1858 CE LYS A 111 -5.926 -10.691 -3.284 1.00 25.00 C ATOM 1859 NZ LYS A 111 -6.952 -10.998 -2.222 1.00 25.00 N ATOM 0 H LYS A 111 -6.581 -6.938 -3.657 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.448 -8.000 -6.048 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.403 -7.533 -5.465 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.716 -8.720 -6.557 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -7.428 -8.742 -3.537 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -8.566 -9.708 -4.455 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -6.984 -11.226 -5.083 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -5.747 -10.008 -5.320 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -5.270 -11.553 -3.402 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -5.305 -9.861 -2.947 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -6.495 -11.498 -1.432 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -7.369 -10.111 -1.875 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -7.700 -11.598 -2.625 1.00 25.00 H new