USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1009 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 40 SER OG : rot 180:sc= 0.11 USER MOD Set 1.2: A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -149:sc= -2.35 (180deg=-4.88!) USER MOD Single : A 13 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.0021) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0132 X(o=-0.013,f=-0.25) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc=-0.00918 X(o=-0.0092,f=-0.13) USER MOD Single : A 36 SER OG : rot 37:sc= 0.0303 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.1!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.096 USER MOD Single : A 48 CYS SG : rot 169:sc= -0.0699 USER MOD Single : A 52 SER OG : rot 57:sc= 0.306 USER MOD Single : A 53 LYS NZ :NH3+ 179:sc= 0.00393 (180deg=0.00365) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.665 K(o=-0.66,f=-1.6) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -134:sc= 0.592 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.057) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -1.09! K(o=-1.1!,f=-1.9) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc=-0.00608 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot -177:sc= -0.16 USER MOD Single : A 106 GLN : amide:sc= -0.0379 X(o=-0.038,f=-0.21) USER MOD Single : A 107 THR OG1 : rot 180:sc=-0.00898 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 111 ASN : amide:sc= -2.04 K(o=-2,f=-6.3!) USER MOD Single : A 112 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.4) USER MOD Single : A 113 GLN : amide:sc= -0.0451 K(o=-0.045,f=-1.6) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -130:sc= -1.02 (180deg=-5.31!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.239 3.721 8.885 1.00 0.00 N ATOM 60 CA GLY A 7 -13.968 3.825 7.633 1.00 0.00 C ATOM 61 C GLY A 7 -13.009 3.853 6.441 1.00 0.00 C ATOM 62 O GLY A 7 -11.857 3.437 6.557 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.651 2.982 7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.576 4.729 7.636 1.00 0.00 H new ATOM 66 N MET A 8 -13.519 4.349 5.323 1.00 0.00 N ATOM 67 CA MET A 8 -12.723 4.437 4.112 1.00 0.00 C ATOM 68 C MET A 8 -12.400 5.894 3.772 1.00 0.00 C ATOM 69 O MET A 8 -11.260 6.224 3.454 1.00 0.00 O ATOM 70 CB MET A 8 -13.486 3.798 2.950 1.00 0.00 C ATOM 71 CG MET A 8 -12.744 4.002 1.628 1.00 0.00 C ATOM 72 SD MET A 8 -11.228 3.059 1.628 1.00 0.00 S ATOM 73 CE MET A 8 -10.099 4.289 0.997 1.00 0.00 C ATOM 0 H MET A 8 -14.474 4.694 5.231 1.00 0.00 H new ATOM 0 HA MET A 8 -11.786 3.906 4.277 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.615 2.732 3.138 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.483 4.233 2.882 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.375 3.692 0.795 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.524 5.060 1.484 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.308 3.799 0.429 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.638 4.979 0.348 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.661 4.841 1.828 1.00 0.00 H new ATOM 83 N GLU A 9 -13.429 6.726 3.850 1.00 0.00 N ATOM 84 CA GLU A 9 -13.270 8.141 3.555 1.00 0.00 C ATOM 85 C GLU A 9 -12.259 8.773 4.512 1.00 0.00 C ATOM 86 O GLU A 9 -11.791 9.886 4.280 1.00 0.00 O ATOM 87 CB GLU A 9 -14.615 8.868 3.618 1.00 0.00 C ATOM 88 CG GLU A 9 -14.809 9.768 2.396 1.00 0.00 C ATOM 89 CD GLU A 9 -16.146 10.508 2.467 1.00 0.00 C ATOM 90 OE1 GLU A 9 -17.172 9.856 2.177 1.00 0.00 O ATOM 91 OE2 GLU A 9 -16.112 11.709 2.812 1.00 0.00 O ATOM 0 H GLU A 9 -14.375 6.448 4.113 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.888 8.240 2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.424 8.140 3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.667 9.467 4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.993 10.488 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.770 9.167 1.487 1.00 0.00 H new ATOM 98 N ALA A 10 -11.952 8.035 5.570 1.00 0.00 N ATOM 99 CA ALA A 10 -11.006 8.510 6.564 1.00 0.00 C ATOM 100 C ALA A 10 -9.599 8.034 6.192 1.00 0.00 C ATOM 101 O ALA A 10 -8.635 8.790 6.300 1.00 0.00 O ATOM 102 CB ALA A 10 -11.436 8.028 7.951 1.00 0.00 C ATOM 0 H ALA A 10 -12.342 7.112 5.759 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.990 9.600 6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.726 8.385 8.697 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.428 8.417 8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.461 6.938 7.966 1.00 0.00 H new ATOM 108 N VAL A 11 -9.528 6.783 5.762 1.00 0.00 N ATOM 109 CA VAL A 11 -8.257 6.197 5.373 1.00 0.00 C ATOM 110 C VAL A 11 -7.609 7.064 4.292 1.00 0.00 C ATOM 111 O VAL A 11 -6.404 7.306 4.325 1.00 0.00 O ATOM 112 CB VAL A 11 -8.462 4.746 4.933 1.00 0.00 C ATOM 113 CG1 VAL A 11 -7.333 4.289 4.006 1.00 0.00 C ATOM 114 CG2 VAL A 11 -8.589 3.818 6.143 1.00 0.00 C ATOM 0 H VAL A 11 -10.330 6.159 5.674 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.573 6.172 6.222 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.396 4.695 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.503 3.254 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.311 4.923 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.380 4.364 4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.734 2.793 5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.681 3.876 6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.443 4.123 6.748 1.00 0.00 H new ATOM 124 N LEU A 12 -8.439 7.508 3.360 1.00 0.00 N ATOM 125 CA LEU A 12 -7.963 8.343 2.270 1.00 0.00 C ATOM 126 C LEU A 12 -7.683 9.752 2.798 1.00 0.00 C ATOM 127 O LEU A 12 -6.674 10.360 2.447 1.00 0.00 O ATOM 128 CB LEU A 12 -8.948 8.309 1.099 1.00 0.00 C ATOM 129 CG LEU A 12 -8.340 8.052 -0.281 1.00 0.00 C ATOM 130 CD1 LEU A 12 -7.341 6.894 -0.234 1.00 0.00 C ATOM 131 CD2 LEU A 12 -9.432 7.827 -1.328 1.00 0.00 C ATOM 0 H LEU A 12 -9.438 7.305 3.337 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.023 7.957 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.690 7.536 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.479 9.260 1.069 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.786 8.941 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.924 6.733 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.537 7.135 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.849 5.988 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.973 7.647 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.035 6.964 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.068 8.710 -1.386 1.00 0.00 H new ATOM 143 N ASN A 13 -8.596 10.229 3.632 1.00 0.00 N ATOM 144 CA ASN A 13 -8.459 11.554 4.211 1.00 0.00 C ATOM 145 C ASN A 13 -7.209 11.594 5.094 1.00 0.00 C ATOM 146 O ASN A 13 -6.150 12.037 4.654 1.00 0.00 O ATOM 147 CB ASN A 13 -9.665 11.899 5.086 1.00 0.00 C ATOM 148 CG ASN A 13 -10.643 12.809 4.338 1.00 0.00 C ATOM 149 OD1 ASN A 13 -11.014 13.876 4.799 1.00 0.00 O ATOM 150 ND2 ASN A 13 -11.037 12.328 3.163 1.00 0.00 N ATOM 0 H ASN A 13 -9.433 9.722 3.920 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.387 12.273 3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.173 10.983 5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.328 12.392 5.998 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.689 12.860 2.587 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.687 11.427 2.837 1.00 0.00 H new ATOM 157 N GLU A 14 -7.376 11.126 6.322 1.00 0.00 N ATOM 158 CA GLU A 14 -6.274 11.103 7.269 1.00 0.00 C ATOM 159 C GLU A 14 -5.001 10.593 6.591 1.00 0.00 C ATOM 160 O GLU A 14 -5.068 9.792 5.660 1.00 0.00 O ATOM 161 CB GLU A 14 -6.621 10.253 8.493 1.00 0.00 C ATOM 162 CG GLU A 14 -6.982 11.136 9.689 1.00 0.00 C ATOM 163 CD GLU A 14 -8.399 11.697 9.548 1.00 0.00 C ATOM 164 OE1 GLU A 14 -8.576 12.580 8.681 1.00 0.00 O ATOM 165 OE2 GLU A 14 -9.273 11.231 10.311 1.00 0.00 O ATOM 0 H GLU A 14 -8.257 10.760 6.683 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.095 12.122 7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.457 9.594 8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.775 9.616 8.749 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.906 10.557 10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.268 11.956 9.769 1.00 0.00 H new ATOM 172 N LEU A 15 -3.870 11.080 7.083 1.00 0.00 N ATOM 173 CA LEU A 15 -2.584 10.683 6.536 1.00 0.00 C ATOM 174 C LEU A 15 -1.745 10.035 7.638 1.00 0.00 C ATOM 175 O LEU A 15 -1.972 10.279 8.822 1.00 0.00 O ATOM 176 CB LEU A 15 -1.900 11.873 5.860 1.00 0.00 C ATOM 177 CG LEU A 15 -1.817 13.158 6.687 1.00 0.00 C ATOM 178 CD1 LEU A 15 -0.653 13.096 7.679 1.00 0.00 C ATOM 179 CD2 LEU A 15 -1.734 14.388 5.782 1.00 0.00 C ATOM 0 H LEU A 15 -3.818 11.746 7.854 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.716 9.935 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.888 11.576 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.431 12.094 4.934 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.733 13.249 7.270 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.616 14.021 8.254 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.796 12.253 8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.283 12.969 7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.676 15.287 6.395 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.846 14.319 5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.621 14.436 5.151 1.00 0.00 H new ATOM 191 N VAL A 16 -0.789 9.222 7.210 1.00 0.00 N ATOM 192 CA VAL A 16 0.086 8.537 8.145 1.00 0.00 C ATOM 193 C VAL A 16 0.817 9.571 9.003 1.00 0.00 C ATOM 194 O VAL A 16 1.020 10.707 8.575 1.00 0.00 O ATOM 195 CB VAL A 16 1.037 7.608 7.388 1.00 0.00 C ATOM 196 CG1 VAL A 16 2.366 8.307 7.091 1.00 0.00 C ATOM 197 CG2 VAL A 16 1.261 6.306 8.160 1.00 0.00 C ATOM 0 H VAL A 16 -0.602 9.023 6.227 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.494 7.906 8.819 1.00 0.00 H new ATOM 0 HB VAL A 16 0.572 7.356 6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.024 7.625 6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.183 9.192 6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.839 8.603 8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.941 5.663 7.600 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.694 6.531 9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.308 5.795 8.296 1.00 0.00 H new ATOM 207 N SER A 17 1.194 9.142 10.199 1.00 0.00 N ATOM 208 CA SER A 17 1.899 10.016 11.120 1.00 0.00 C ATOM 209 C SER A 17 3.404 9.758 11.038 1.00 0.00 C ATOM 210 O SER A 17 3.845 8.612 11.091 1.00 0.00 O ATOM 211 CB SER A 17 1.404 9.819 12.555 1.00 0.00 C ATOM 212 OG SER A 17 -0.011 9.660 12.614 1.00 0.00 O ATOM 0 H SER A 17 1.024 8.200 10.551 1.00 0.00 H new ATOM 0 HA SER A 17 1.698 11.048 10.833 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.886 8.942 12.988 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.698 10.676 13.161 1.00 0.00 H new ATOM 0 HG SER A 17 -0.288 9.535 13.546 1.00 0.00 H new ATOM 218 N VAL A 18 4.152 10.845 10.909 1.00 0.00 N ATOM 219 CA VAL A 18 5.599 10.752 10.818 1.00 0.00 C ATOM 220 C VAL A 18 6.122 9.887 11.966 1.00 0.00 C ATOM 221 O VAL A 18 6.866 8.933 11.742 1.00 0.00 O ATOM 222 CB VAL A 18 6.214 12.153 10.797 1.00 0.00 C ATOM 223 CG1 VAL A 18 7.742 12.081 10.793 1.00 0.00 C ATOM 224 CG2 VAL A 18 5.699 12.959 9.603 1.00 0.00 C ATOM 0 H VAL A 18 3.782 11.795 10.865 1.00 0.00 H new ATOM 0 HA VAL A 18 5.893 10.269 9.886 1.00 0.00 H new ATOM 0 HB VAL A 18 5.906 12.668 11.707 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.154 13.090 10.778 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.084 11.563 11.689 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.078 11.539 9.909 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.151 13.951 9.611 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.963 12.447 8.677 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.615 13.054 9.668 1.00 0.00 H new ATOM 234 N GLU A 19 5.713 10.251 13.174 1.00 0.00 N ATOM 235 CA GLU A 19 6.132 9.520 14.357 1.00 0.00 C ATOM 236 C GLU A 19 6.016 8.012 14.119 1.00 0.00 C ATOM 237 O GLU A 19 6.877 7.245 14.545 1.00 0.00 O ATOM 238 CB GLU A 19 5.319 9.946 15.581 1.00 0.00 C ATOM 239 CG GLU A 19 6.196 9.994 16.834 1.00 0.00 C ATOM 240 CD GLU A 19 6.482 8.585 17.357 1.00 0.00 C ATOM 241 OE1 GLU A 19 5.574 7.736 17.226 1.00 0.00 O ATOM 242 OE2 GLU A 19 7.602 8.389 17.876 1.00 0.00 O ATOM 0 H GLU A 19 5.096 11.042 13.358 1.00 0.00 H new ATOM 0 HA GLU A 19 7.177 9.757 14.555 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.877 10.927 15.405 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.496 9.248 15.736 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.135 10.499 16.606 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.699 10.579 17.608 1.00 0.00 H new ATOM 249 N ASP A 20 4.943 7.634 13.440 1.00 0.00 N ATOM 250 CA ASP A 20 4.703 6.233 13.142 1.00 0.00 C ATOM 251 C ASP A 20 5.561 5.817 11.944 1.00 0.00 C ATOM 252 O ASP A 20 6.309 4.843 12.021 1.00 0.00 O ATOM 253 CB ASP A 20 3.237 5.990 12.779 1.00 0.00 C ATOM 254 CG ASP A 20 2.344 5.567 13.947 1.00 0.00 C ATOM 255 OD1 ASP A 20 2.779 5.776 15.099 1.00 0.00 O ATOM 256 OD2 ASP A 20 1.244 5.044 13.660 1.00 0.00 O ATOM 0 H ASP A 20 4.231 8.273 13.088 1.00 0.00 H new ATOM 0 HA ASP A 20 4.956 5.652 14.029 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.830 6.902 12.342 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.192 5.220 12.009 1.00 0.00 H new ATOM 261 N LEU A 21 5.424 6.576 10.866 1.00 0.00 N ATOM 262 CA LEU A 21 6.177 6.300 9.656 1.00 0.00 C ATOM 263 C LEU A 21 7.603 5.888 10.029 1.00 0.00 C ATOM 264 O LEU A 21 8.139 4.926 9.481 1.00 0.00 O ATOM 265 CB LEU A 21 6.112 7.492 8.700 1.00 0.00 C ATOM 266 CG LEU A 21 6.559 7.224 7.262 1.00 0.00 C ATOM 267 CD1 LEU A 21 8.072 7.011 7.187 1.00 0.00 C ATOM 268 CD2 LEU A 21 5.785 6.050 6.657 1.00 0.00 C ATOM 0 H LEU A 21 4.802 7.382 10.806 1.00 0.00 H new ATOM 0 HA LEU A 21 5.734 5.463 9.116 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.086 7.859 8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.728 8.293 9.108 1.00 0.00 H new ATOM 0 HG LEU A 21 6.328 8.106 6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.362 6.823 6.153 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.583 7.902 7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.350 6.156 7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.122 5.880 5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.962 5.153 7.251 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.719 6.279 6.655 1.00 0.00 H new ATOM 280 N LYS A 22 8.175 6.635 10.961 1.00 0.00 N ATOM 281 CA LYS A 22 9.529 6.360 11.414 1.00 0.00 C ATOM 282 C LYS A 22 9.567 4.985 12.082 1.00 0.00 C ATOM 283 O LYS A 22 10.360 4.126 11.698 1.00 0.00 O ATOM 284 CB LYS A 22 10.034 7.493 12.309 1.00 0.00 C ATOM 285 CG LYS A 22 10.472 8.697 11.474 1.00 0.00 C ATOM 286 CD LYS A 22 11.959 8.611 11.124 1.00 0.00 C ATOM 287 CE LYS A 22 12.554 10.005 10.911 1.00 0.00 C ATOM 288 NZ LYS A 22 13.916 10.080 11.485 1.00 0.00 N ATOM 0 H LYS A 22 7.726 7.430 11.415 1.00 0.00 H new ATOM 0 HA LYS A 22 10.215 6.324 10.568 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.247 7.793 13.001 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.871 7.140 12.911 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.882 8.743 10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.277 9.617 12.026 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.496 8.101 11.924 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.090 8.014 10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.589 10.233 9.846 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.915 10.755 11.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.305 11.032 11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.874 9.883 12.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.527 9.378 11.022 1.00 0.00 H new ATOM 302 N ASN A 23 8.701 4.817 13.071 1.00 0.00 N ATOM 303 CA ASN A 23 8.626 3.561 13.796 1.00 0.00 C ATOM 304 C ASN A 23 8.796 2.399 12.815 1.00 0.00 C ATOM 305 O ASN A 23 9.365 1.366 13.163 1.00 0.00 O ATOM 306 CB ASN A 23 7.270 3.402 14.486 1.00 0.00 C ATOM 307 CG ASN A 23 7.443 3.164 15.988 1.00 0.00 C ATOM 308 OD1 ASN A 23 8.486 2.744 16.460 1.00 0.00 O ATOM 309 ND2 ASN A 23 6.365 3.457 16.710 1.00 0.00 N ATOM 0 H ASN A 23 8.045 5.531 13.387 1.00 0.00 H new ATOM 0 HA ASN A 23 9.415 3.559 14.548 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.668 4.296 14.323 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.728 2.567 14.042 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.380 3.334 17.722 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.523 3.805 16.251 1.00 0.00 H new ATOM 316 N PHE A 24 8.290 2.608 11.608 1.00 0.00 N ATOM 317 CA PHE A 24 8.379 1.592 10.574 1.00 0.00 C ATOM 318 C PHE A 24 9.634 1.785 9.721 1.00 0.00 C ATOM 319 O PHE A 24 10.285 0.814 9.338 1.00 0.00 O ATOM 320 CB PHE A 24 7.144 1.749 9.686 1.00 0.00 C ATOM 321 CG PHE A 24 5.845 1.266 10.334 1.00 0.00 C ATOM 322 CD1 PHE A 24 5.520 -0.055 10.305 1.00 0.00 C ATOM 323 CD2 PHE A 24 5.015 2.157 10.941 1.00 0.00 C ATOM 324 CE1 PHE A 24 4.315 -0.503 10.907 1.00 0.00 C ATOM 325 CE2 PHE A 24 3.810 1.709 11.543 1.00 0.00 C ATOM 326 CZ PHE A 24 3.485 0.388 11.514 1.00 0.00 C ATOM 0 H PHE A 24 7.817 3.466 11.324 1.00 0.00 H new ATOM 0 HA PHE A 24 8.431 0.603 11.028 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.035 2.799 9.416 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.303 1.197 8.760 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.179 -0.763 9.824 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.273 3.205 10.965 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.057 -1.551 10.883 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.151 2.417 12.024 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.569 0.047 11.973 1.00 0.00 H new ATOM 336 N GLU A 25 9.936 3.046 9.448 1.00 0.00 N ATOM 337 CA GLU A 25 11.102 3.379 8.646 1.00 0.00 C ATOM 338 C GLU A 25 12.361 2.764 9.259 1.00 0.00 C ATOM 339 O GLU A 25 13.322 2.470 8.549 1.00 0.00 O ATOM 340 CB GLU A 25 11.249 4.895 8.497 1.00 0.00 C ATOM 341 CG GLU A 25 11.950 5.251 7.184 1.00 0.00 C ATOM 342 CD GLU A 25 11.869 6.754 6.910 1.00 0.00 C ATOM 343 OE1 GLU A 25 10.857 7.355 7.332 1.00 0.00 O ATOM 344 OE2 GLU A 25 12.821 7.269 6.285 1.00 0.00 O ATOM 0 H GLU A 25 9.394 3.849 9.767 1.00 0.00 H new ATOM 0 HA GLU A 25 10.965 2.960 7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.266 5.364 8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.818 5.293 9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.994 4.942 7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.491 4.702 6.362 1.00 0.00 H new ATOM 351 N ARG A 26 12.316 2.586 10.572 1.00 0.00 N ATOM 352 CA ARG A 26 13.441 2.010 11.288 1.00 0.00 C ATOM 353 C ARG A 26 13.441 0.487 11.141 1.00 0.00 C ATOM 354 O ARG A 26 14.377 -0.086 10.585 1.00 0.00 O ATOM 355 CB ARG A 26 13.391 2.372 12.774 1.00 0.00 C ATOM 356 CG ARG A 26 12.920 3.814 12.971 1.00 0.00 C ATOM 357 CD ARG A 26 14.065 4.703 13.463 1.00 0.00 C ATOM 358 NE ARG A 26 13.596 5.566 14.570 1.00 0.00 N ATOM 359 CZ ARG A 26 13.221 5.108 15.771 1.00 0.00 C ATOM 360 NH1 ARG A 26 13.256 3.792 16.028 1.00 0.00 N ATOM 361 NH2 ARG A 26 12.810 5.964 16.717 1.00 0.00 N ATOM 0 H ARG A 26 11.518 2.831 11.158 1.00 0.00 H new ATOM 0 HA ARG A 26 14.354 2.420 10.856 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.718 1.691 13.295 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.379 2.245 13.217 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.530 4.204 12.031 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.101 3.838 13.690 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.897 4.085 13.800 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.437 5.318 12.644 1.00 0.00 H new ATOM 0 HE ARG A 26 13.556 6.572 14.408 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.568 3.140 15.308 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.970 3.443 16.943 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.783 6.965 16.522 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.524 5.615 17.632 1.00 0.00 H new ATOM 375 N LYS A 27 12.382 -0.125 11.650 1.00 0.00 N ATOM 376 CA LYS A 27 12.248 -1.570 11.582 1.00 0.00 C ATOM 377 C LYS A 27 12.737 -2.060 10.218 1.00 0.00 C ATOM 378 O LYS A 27 13.550 -2.979 10.139 1.00 0.00 O ATOM 379 CB LYS A 27 10.814 -1.990 11.908 1.00 0.00 C ATOM 380 CG LYS A 27 10.796 -3.253 12.773 1.00 0.00 C ATOM 381 CD LYS A 27 9.479 -3.370 13.544 1.00 0.00 C ATOM 382 CE LYS A 27 9.637 -4.281 14.764 1.00 0.00 C ATOM 383 NZ LYS A 27 8.678 -3.898 15.824 1.00 0.00 N ATOM 0 H LYS A 27 11.608 0.354 12.111 1.00 0.00 H new ATOM 0 HA LYS A 27 12.875 -2.047 12.335 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.304 -1.180 12.430 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.265 -2.170 10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.932 -4.132 12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.631 -3.231 13.473 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.152 -2.381 13.864 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.703 -3.766 12.888 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.472 -5.319 14.474 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.656 -4.214 15.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.798 -4.526 16.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.854 -2.914 16.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.707 -3.984 15.461 1.00 0.00 H new ATOM 397 N PHE A 28 12.222 -1.423 9.176 1.00 0.00 N ATOM 398 CA PHE A 28 12.596 -1.782 7.819 1.00 0.00 C ATOM 399 C PHE A 28 14.115 -1.754 7.644 1.00 0.00 C ATOM 400 O PHE A 28 14.725 -2.768 7.307 1.00 0.00 O ATOM 401 CB PHE A 28 11.968 -0.740 6.891 1.00 0.00 C ATOM 402 CG PHE A 28 11.930 -1.160 5.420 1.00 0.00 C ATOM 403 CD1 PHE A 28 11.056 -2.117 5.008 1.00 0.00 C ATOM 404 CD2 PHE A 28 12.772 -0.576 4.525 1.00 0.00 C ATOM 405 CE1 PHE A 28 11.021 -2.505 3.643 1.00 0.00 C ATOM 406 CE2 PHE A 28 12.737 -0.966 3.159 1.00 0.00 C ATOM 407 CZ PHE A 28 11.862 -1.921 2.747 1.00 0.00 C ATOM 0 H PHE A 28 11.548 -0.660 9.245 1.00 0.00 H new ATOM 0 HA PHE A 28 12.249 -2.790 7.592 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.951 -0.535 7.226 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.526 0.192 6.978 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.389 -2.582 5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.467 0.183 4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.326 -3.264 3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.406 -0.504 2.448 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.834 -2.216 1.709 1.00 0.00 H new ATOM 417 N GLN A 29 14.684 -0.580 7.880 1.00 0.00 N ATOM 418 CA GLN A 29 16.121 -0.406 7.751 1.00 0.00 C ATOM 419 C GLN A 29 16.860 -1.491 8.538 1.00 0.00 C ATOM 420 O GLN A 29 17.480 -2.376 7.950 1.00 0.00 O ATOM 421 CB GLN A 29 16.548 0.990 8.211 1.00 0.00 C ATOM 422 CG GLN A 29 16.170 2.048 7.172 1.00 0.00 C ATOM 423 CD GLN A 29 16.963 3.338 7.391 1.00 0.00 C ATOM 424 OE1 GLN A 29 18.175 3.338 7.527 1.00 0.00 O ATOM 425 NE2 GLN A 29 16.211 4.436 7.420 1.00 0.00 N ATOM 0 H GLN A 29 14.176 0.259 8.160 1.00 0.00 H new ATOM 0 HA GLN A 29 16.386 -0.503 6.698 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.073 1.224 9.164 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.625 1.008 8.379 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.362 1.664 6.170 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.102 2.258 7.233 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.201 4.365 7.299 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.645 5.348 7.563 1.00 0.00 H new ATOM 434 N SER A 30 16.769 -1.388 9.856 1.00 0.00 N ATOM 435 CA SER A 30 17.421 -2.349 10.729 1.00 0.00 C ATOM 436 C SER A 30 17.229 -3.766 10.183 1.00 0.00 C ATOM 437 O SER A 30 18.201 -4.475 9.932 1.00 0.00 O ATOM 438 CB SER A 30 16.879 -2.252 12.157 1.00 0.00 C ATOM 439 OG SER A 30 17.926 -2.178 13.120 1.00 0.00 O ATOM 0 H SER A 30 16.253 -0.653 10.340 1.00 0.00 H new ATOM 0 HA SER A 30 18.486 -2.119 10.757 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.243 -1.371 12.244 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.253 -3.119 12.367 1.00 0.00 H new ATOM 0 HG SER A 30 17.540 -2.115 14.019 1.00 0.00 H new ATOM 445 N GLU A 31 15.967 -4.135 10.015 1.00 0.00 N ATOM 446 CA GLU A 31 15.634 -5.454 9.505 1.00 0.00 C ATOM 447 C GLU A 31 16.395 -5.726 8.205 1.00 0.00 C ATOM 448 O GLU A 31 16.757 -6.867 7.921 1.00 0.00 O ATOM 449 CB GLU A 31 14.125 -5.597 9.297 1.00 0.00 C ATOM 450 CG GLU A 31 13.394 -5.696 10.637 1.00 0.00 C ATOM 451 CD GLU A 31 13.404 -7.134 11.161 1.00 0.00 C ATOM 452 OE1 GLU A 31 14.442 -7.802 10.966 1.00 0.00 O ATOM 453 OE2 GLU A 31 12.373 -7.531 11.745 1.00 0.00 O ATOM 0 H GLU A 31 15.163 -3.543 10.223 1.00 0.00 H new ATOM 0 HA GLU A 31 15.937 -6.196 10.244 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.749 -4.742 8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.919 -6.485 8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.868 -5.037 11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.365 -5.354 10.521 1.00 0.00 H new ATOM 460 N GLN A 32 16.615 -4.660 7.450 1.00 0.00 N ATOM 461 CA GLN A 32 17.326 -4.770 6.188 1.00 0.00 C ATOM 462 C GLN A 32 18.766 -5.227 6.428 1.00 0.00 C ATOM 463 O GLN A 32 19.181 -6.271 5.928 1.00 0.00 O ATOM 464 CB GLN A 32 17.291 -3.446 5.421 1.00 0.00 C ATOM 465 CG GLN A 32 17.257 -3.688 3.911 1.00 0.00 C ATOM 466 CD GLN A 32 17.084 -2.373 3.149 1.00 0.00 C ATOM 467 OE1 GLN A 32 16.235 -1.553 3.458 1.00 0.00 O ATOM 468 NE2 GLN A 32 17.934 -2.217 2.138 1.00 0.00 N ATOM 0 H GLN A 32 16.313 -3.715 7.688 1.00 0.00 H new ATOM 0 HA GLN A 32 16.825 -5.520 5.576 1.00 0.00 H new ATOM 0 HB2 GLN A 32 16.415 -2.871 5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 32 18.167 -2.850 5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 32 18.179 -4.176 3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.439 -4.365 3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 32 18.621 -2.943 1.933 1.00 0.00 H new ATOM 0 HE22 GLN A 32 17.899 -1.372 1.568 1.00 0.00 H new ATOM 477 N ALA A 33 19.489 -4.422 7.193 1.00 0.00 N ATOM 478 CA ALA A 33 20.873 -4.731 7.505 1.00 0.00 C ATOM 479 C ALA A 33 20.928 -5.995 8.365 1.00 0.00 C ATOM 480 O ALA A 33 22.000 -6.560 8.577 1.00 0.00 O ATOM 481 CB ALA A 33 21.521 -3.529 8.196 1.00 0.00 C ATOM 0 H ALA A 33 19.142 -3.556 7.606 1.00 0.00 H new ATOM 0 HA ALA A 33 21.437 -4.927 6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 33 22.560 -3.761 8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.483 -2.664 7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.983 -3.305 9.117 1.00 0.00 H new ATOM 487 N ALA A 34 19.759 -6.402 8.838 1.00 0.00 N ATOM 488 CA ALA A 34 19.661 -7.589 9.669 1.00 0.00 C ATOM 489 C ALA A 34 19.882 -8.833 8.805 1.00 0.00 C ATOM 490 O ALA A 34 20.296 -9.876 9.306 1.00 0.00 O ATOM 491 CB ALA A 34 18.305 -7.606 10.377 1.00 0.00 C ATOM 0 H ALA A 34 18.872 -5.930 8.661 1.00 0.00 H new ATOM 0 HA ALA A 34 20.432 -7.582 10.439 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.231 -8.497 11.001 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.209 -6.717 11.001 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.507 -7.616 9.635 1.00 0.00 H new ATOM 497 N GLY A 35 19.597 -8.678 7.521 1.00 0.00 N ATOM 498 CA GLY A 35 19.759 -9.775 6.581 1.00 0.00 C ATOM 499 C GLY A 35 18.698 -9.716 5.480 1.00 0.00 C ATOM 500 O GLY A 35 18.974 -10.054 4.330 1.00 0.00 O ATOM 0 H GLY A 35 19.255 -7.810 7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.753 -9.733 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.687 -10.725 7.110 1.00 0.00 H new ATOM 504 N SER A 36 17.509 -9.285 5.872 1.00 0.00 N ATOM 505 CA SER A 36 16.406 -9.177 4.932 1.00 0.00 C ATOM 506 C SER A 36 15.135 -8.743 5.666 1.00 0.00 C ATOM 507 O SER A 36 14.738 -9.365 6.649 1.00 0.00 O ATOM 508 CB SER A 36 16.171 -10.501 4.203 1.00 0.00 C ATOM 509 OG SER A 36 16.122 -11.604 5.103 1.00 0.00 O ATOM 0 H SER A 36 17.285 -9.006 6.827 1.00 0.00 H new ATOM 0 HA SER A 36 16.664 -8.424 4.187 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.236 -10.447 3.645 1.00 0.00 H new ATOM 0 HB3 SER A 36 16.967 -10.661 3.476 1.00 0.00 H new ATOM 0 HG SER A 36 15.674 -11.331 5.931 1.00 0.00 H new ATOM 515 N VAL A 37 14.532 -7.678 5.158 1.00 0.00 N ATOM 516 CA VAL A 37 13.314 -7.154 5.751 1.00 0.00 C ATOM 517 C VAL A 37 12.184 -8.169 5.569 1.00 0.00 C ATOM 518 O VAL A 37 11.964 -8.668 4.466 1.00 0.00 O ATOM 519 CB VAL A 37 12.988 -5.784 5.154 1.00 0.00 C ATOM 520 CG1 VAL A 37 11.571 -5.343 5.531 1.00 0.00 C ATOM 521 CG2 VAL A 37 14.019 -4.739 5.584 1.00 0.00 C ATOM 0 H VAL A 37 14.865 -7.164 4.342 1.00 0.00 H new ATOM 0 HA VAL A 37 13.446 -7.004 6.822 1.00 0.00 H new ATOM 0 HB VAL A 37 13.033 -5.873 4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.366 -4.366 5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.851 -6.069 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.486 -5.280 6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.764 -3.774 5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.020 -4.655 6.671 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.009 -5.042 5.242 1.00 0.00 H new ATOM 531 N SER A 38 11.496 -8.446 6.668 1.00 0.00 N ATOM 532 CA SER A 38 10.394 -9.393 6.643 1.00 0.00 C ATOM 533 C SER A 38 9.151 -8.733 6.043 1.00 0.00 C ATOM 534 O SER A 38 8.965 -7.523 6.167 1.00 0.00 O ATOM 535 CB SER A 38 10.090 -9.921 8.047 1.00 0.00 C ATOM 536 OG SER A 38 11.180 -10.666 8.584 1.00 0.00 O ATOM 0 H SER A 38 11.681 -8.031 7.581 1.00 0.00 H new ATOM 0 HA SER A 38 10.684 -10.240 6.021 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.862 -9.084 8.708 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.202 -10.552 8.013 1.00 0.00 H new ATOM 0 HG SER A 38 10.948 -10.984 9.481 1.00 0.00 H new ATOM 542 N LYS A 39 8.332 -9.558 5.408 1.00 0.00 N ATOM 543 CA LYS A 39 7.111 -9.069 4.789 1.00 0.00 C ATOM 544 C LYS A 39 6.398 -8.122 5.755 1.00 0.00 C ATOM 545 O LYS A 39 6.036 -7.007 5.382 1.00 0.00 O ATOM 546 CB LYS A 39 6.242 -10.240 4.322 1.00 0.00 C ATOM 547 CG LYS A 39 5.942 -11.195 5.479 1.00 0.00 C ATOM 548 CD LYS A 39 5.461 -12.551 4.959 1.00 0.00 C ATOM 549 CE LYS A 39 5.577 -13.626 6.042 1.00 0.00 C ATOM 550 NZ LYS A 39 6.578 -14.645 5.657 1.00 0.00 N ATOM 0 H LYS A 39 8.489 -10.561 5.309 1.00 0.00 H new ATOM 0 HA LYS A 39 7.342 -8.495 3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.308 -9.862 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.751 -10.779 3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.838 -11.331 6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.182 -10.759 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.425 -12.472 4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.050 -12.841 4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.862 -13.167 6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.608 -14.100 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.644 -15.366 6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.290 -15.095 4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.505 -14.191 5.532 1.00 0.00 H new ATOM 564 N SER A 40 6.219 -8.599 6.978 1.00 0.00 N ATOM 565 CA SER A 40 5.555 -7.808 8.000 1.00 0.00 C ATOM 566 C SER A 40 5.996 -6.345 7.897 1.00 0.00 C ATOM 567 O SER A 40 5.203 -5.479 7.533 1.00 0.00 O ATOM 568 CB SER A 40 5.851 -8.354 9.398 1.00 0.00 C ATOM 569 OG SER A 40 7.250 -8.472 9.640 1.00 0.00 O ATOM 0 H SER A 40 6.522 -9.523 7.284 1.00 0.00 H new ATOM 0 HA SER A 40 4.479 -7.870 7.836 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.408 -7.696 10.145 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.380 -9.330 9.513 1.00 0.00 H new ATOM 0 HG SER A 40 7.397 -8.822 10.543 1.00 0.00 H new ATOM 575 N THR A 41 7.259 -6.117 8.227 1.00 0.00 N ATOM 576 CA THR A 41 7.814 -4.775 8.176 1.00 0.00 C ATOM 577 C THR A 41 7.680 -4.196 6.767 1.00 0.00 C ATOM 578 O THR A 41 7.330 -3.027 6.603 1.00 0.00 O ATOM 579 CB THR A 41 9.260 -4.844 8.672 1.00 0.00 C ATOM 580 OG1 THR A 41 9.138 -5.133 10.061 1.00 0.00 O ATOM 581 CG2 THR A 41 9.956 -3.481 8.635 1.00 0.00 C ATOM 0 H THR A 41 7.913 -6.838 8.530 1.00 0.00 H new ATOM 0 HA THR A 41 7.265 -4.093 8.825 1.00 0.00 H new ATOM 0 HB THR A 41 9.819 -5.555 8.063 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.030 -5.197 10.461 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.979 -3.585 8.997 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.969 -3.107 7.611 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.416 -2.779 9.271 1.00 0.00 H new ATOM 589 N GLN A 42 7.967 -5.038 5.786 1.00 0.00 N ATOM 590 CA GLN A 42 7.884 -4.624 4.396 1.00 0.00 C ATOM 591 C GLN A 42 6.517 -4.000 4.109 1.00 0.00 C ATOM 592 O GLN A 42 6.420 -2.804 3.838 1.00 0.00 O ATOM 593 CB GLN A 42 8.157 -5.800 3.455 1.00 0.00 C ATOM 594 CG GLN A 42 8.532 -5.307 2.056 1.00 0.00 C ATOM 595 CD GLN A 42 9.183 -6.424 1.238 1.00 0.00 C ATOM 596 OE1 GLN A 42 9.585 -7.454 1.755 1.00 0.00 O ATOM 597 NE2 GLN A 42 9.263 -6.165 -0.064 1.00 0.00 N ATOM 0 H GLN A 42 8.257 -6.006 5.926 1.00 0.00 H new ATOM 0 HA GLN A 42 8.652 -3.871 4.216 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.964 -6.412 3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.274 -6.436 3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.641 -4.947 1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.217 -4.463 2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.907 -5.283 -0.431 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.680 -6.849 -0.695 1.00 0.00 H new ATOM 606 N PHE A 43 5.493 -4.838 4.177 1.00 0.00 N ATOM 607 CA PHE A 43 4.135 -4.383 3.928 1.00 0.00 C ATOM 608 C PHE A 43 3.750 -3.255 4.888 1.00 0.00 C ATOM 609 O PHE A 43 3.126 -2.277 4.481 1.00 0.00 O ATOM 610 CB PHE A 43 3.211 -5.579 4.170 1.00 0.00 C ATOM 611 CG PHE A 43 1.838 -5.202 4.729 1.00 0.00 C ATOM 612 CD1 PHE A 43 0.833 -4.849 3.882 1.00 0.00 C ATOM 613 CD2 PHE A 43 1.621 -5.220 6.071 1.00 0.00 C ATOM 614 CE1 PHE A 43 -0.442 -4.499 4.401 1.00 0.00 C ATOM 615 CE2 PHE A 43 0.347 -4.869 6.590 1.00 0.00 C ATOM 616 CZ PHE A 43 -0.658 -4.517 5.743 1.00 0.00 C ATOM 0 H PHE A 43 5.576 -5.830 4.401 1.00 0.00 H new ATOM 0 HA PHE A 43 4.051 -4.003 2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.075 -6.115 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.697 -6.266 4.862 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.005 -4.835 2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.418 -5.502 6.743 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.240 -4.219 3.729 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.176 -4.881 7.656 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.628 -4.252 6.137 1.00 0.00 H new ATOM 626 N GLU A 44 4.139 -3.429 6.142 1.00 0.00 N ATOM 627 CA GLU A 44 3.842 -2.438 7.162 1.00 0.00 C ATOM 628 C GLU A 44 4.269 -1.046 6.689 1.00 0.00 C ATOM 629 O GLU A 44 3.425 -0.200 6.400 1.00 0.00 O ATOM 630 CB GLU A 44 4.516 -2.797 8.488 1.00 0.00 C ATOM 631 CG GLU A 44 3.625 -3.717 9.324 1.00 0.00 C ATOM 632 CD GLU A 44 4.325 -4.129 10.621 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.512 -4.509 10.529 1.00 0.00 O ATOM 634 OE2 GLU A 44 3.658 -4.053 11.675 1.00 0.00 O ATOM 0 H GLU A 44 4.658 -4.242 6.475 1.00 0.00 H new ATOM 0 HA GLU A 44 2.765 -2.429 7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.470 -3.287 8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.733 -1.887 9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.689 -3.209 9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.370 -4.605 8.746 1.00 0.00 H new ATOM 641 N TYR A 45 5.578 -0.853 6.625 1.00 0.00 N ATOM 642 CA TYR A 45 6.127 0.420 6.192 1.00 0.00 C ATOM 643 C TYR A 45 5.639 0.778 4.788 1.00 0.00 C ATOM 644 O TYR A 45 5.722 1.934 4.373 1.00 0.00 O ATOM 645 CB TYR A 45 7.646 0.237 6.162 1.00 0.00 C ATOM 646 CG TYR A 45 8.407 1.445 5.612 1.00 0.00 C ATOM 647 CD1 TYR A 45 8.426 2.629 6.320 1.00 0.00 C ATOM 648 CD2 TYR A 45 9.075 1.350 4.408 1.00 0.00 C ATOM 649 CE1 TYR A 45 9.143 3.766 5.803 1.00 0.00 C ATOM 650 CE2 TYR A 45 9.792 2.487 3.891 1.00 0.00 C ATOM 651 CZ TYR A 45 9.790 3.639 4.615 1.00 0.00 C ATOM 652 OH TYR A 45 10.467 4.712 4.126 1.00 0.00 O ATOM 0 H TYR A 45 6.275 -1.558 6.866 1.00 0.00 H new ATOM 0 HA TYR A 45 5.817 1.220 6.864 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.997 0.029 7.173 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.885 -0.637 5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.903 2.703 7.262 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.060 0.423 3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 45 9.166 4.699 6.347 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.319 2.427 2.950 1.00 0.00 H new ATOM 0 HH TYR A 45 10.881 4.475 3.270 1.00 0.00 H new ATOM 662 N ALA A 46 5.142 -0.234 4.092 1.00 0.00 N ATOM 663 CA ALA A 46 4.641 -0.040 2.742 1.00 0.00 C ATOM 664 C ALA A 46 3.199 0.467 2.805 1.00 0.00 C ATOM 665 O ALA A 46 2.714 1.088 1.860 1.00 0.00 O ATOM 666 CB ALA A 46 4.764 -1.349 1.960 1.00 0.00 C ATOM 0 H ALA A 46 5.076 -1.191 4.438 1.00 0.00 H new ATOM 0 HA ALA A 46 5.232 0.711 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.388 -1.204 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.810 -1.652 1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.181 -2.125 2.456 1.00 0.00 H new ATOM 672 N TRP A 47 2.555 0.185 3.928 1.00 0.00 N ATOM 673 CA TRP A 47 1.179 0.606 4.127 1.00 0.00 C ATOM 674 C TRP A 47 1.195 2.015 4.721 1.00 0.00 C ATOM 675 O TRP A 47 0.266 2.793 4.511 1.00 0.00 O ATOM 676 CB TRP A 47 0.418 -0.399 4.993 1.00 0.00 C ATOM 677 CG TRP A 47 -0.966 0.081 5.435 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.448 0.174 6.682 1.00 0.00 C ATOM 679 CD2 TRP A 47 -2.033 0.535 4.576 1.00 0.00 C ATOM 680 NE1 TRP A 47 -2.743 0.652 6.690 1.00 0.00 N ATOM 681 CE2 TRP A 47 -3.110 0.878 5.368 1.00 0.00 C ATOM 682 CE3 TRP A 47 -2.087 0.652 3.176 1.00 0.00 C ATOM 683 CZ2 TRP A 47 -4.319 1.361 4.852 1.00 0.00 C ATOM 684 CZ3 TRP A 47 -3.303 1.135 2.676 1.00 0.00 C ATOM 685 CH2 TRP A 47 -4.396 1.484 3.459 1.00 0.00 C ATOM 0 H TRP A 47 2.961 -0.330 4.709 1.00 0.00 H new ATOM 0 HA TRP A 47 0.645 0.636 3.177 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.308 -1.331 4.438 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.013 -0.624 5.878 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -0.893 -0.092 7.569 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.324 0.810 7.514 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.257 0.390 2.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.147 1.624 5.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.398 1.244 1.606 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.301 1.848 2.996 1.00 0.00 H new ATOM 696 N CYS A 48 2.263 2.301 5.453 1.00 0.00 N ATOM 697 CA CYS A 48 2.414 3.603 6.079 1.00 0.00 C ATOM 698 C CYS A 48 2.657 4.639 4.981 1.00 0.00 C ATOM 699 O CYS A 48 2.089 5.730 5.015 1.00 0.00 O ATOM 700 CB CYS A 48 3.534 3.602 7.122 1.00 0.00 C ATOM 701 SG CYS A 48 3.004 2.679 8.610 1.00 0.00 S ATOM 0 H CYS A 48 3.031 1.653 5.626 1.00 0.00 H new ATOM 0 HA CYS A 48 1.503 3.857 6.621 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.432 3.148 6.703 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.791 4.626 7.392 1.00 0.00 H new ATOM 0 HG CYS A 48 4.027 2.487 9.389 1.00 0.00 H new ATOM 707 N LEU A 49 3.503 4.263 4.033 1.00 0.00 N ATOM 708 CA LEU A 49 3.829 5.147 2.927 1.00 0.00 C ATOM 709 C LEU A 49 2.546 5.517 2.180 1.00 0.00 C ATOM 710 O LEU A 49 2.274 6.694 1.951 1.00 0.00 O ATOM 711 CB LEU A 49 4.899 4.516 2.034 1.00 0.00 C ATOM 712 CG LEU A 49 6.310 4.450 2.623 1.00 0.00 C ATOM 713 CD1 LEU A 49 7.197 3.500 1.815 1.00 0.00 C ATOM 714 CD2 LEU A 49 6.922 5.847 2.738 1.00 0.00 C ATOM 0 H LEU A 49 3.973 3.358 4.008 1.00 0.00 H new ATOM 0 HA LEU A 49 4.262 6.076 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.584 3.503 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.942 5.077 1.100 1.00 0.00 H new ATOM 0 HG LEU A 49 6.240 4.045 3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.194 3.471 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.765 2.499 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.264 3.852 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.924 5.772 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.977 6.303 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.301 6.464 3.388 1.00 0.00 H new ATOM 726 N VAL A 50 1.790 4.489 1.823 1.00 0.00 N ATOM 727 CA VAL A 50 0.541 4.692 1.107 1.00 0.00 C ATOM 728 C VAL A 50 -0.467 5.376 2.032 1.00 0.00 C ATOM 729 O VAL A 50 -1.539 4.835 2.297 1.00 0.00 O ATOM 730 CB VAL A 50 0.035 3.359 0.553 1.00 0.00 C ATOM 731 CG1 VAL A 50 0.989 2.808 -0.510 1.00 0.00 C ATOM 732 CG2 VAL A 50 -0.180 2.343 1.676 1.00 0.00 C ATOM 0 H VAL A 50 2.018 3.514 2.016 1.00 0.00 H new ATOM 0 HA VAL A 50 0.693 5.349 0.251 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.929 3.540 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.605 1.860 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.068 3.520 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.974 2.651 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.540 1.405 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.763 2.170 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.916 2.730 2.381 1.00 0.00 H new ATOM 742 N ARG A 51 -0.087 6.556 2.500 1.00 0.00 N ATOM 743 CA ARG A 51 -0.944 7.320 3.389 1.00 0.00 C ATOM 744 C ARG A 51 -0.265 8.634 3.781 1.00 0.00 C ATOM 745 O ARG A 51 -0.929 9.658 3.937 1.00 0.00 O ATOM 746 CB ARG A 51 -1.272 6.526 4.656 1.00 0.00 C ATOM 747 CG ARG A 51 -2.644 5.859 4.545 1.00 0.00 C ATOM 748 CD ARG A 51 -2.585 4.401 5.005 1.00 0.00 C ATOM 749 NE ARG A 51 -1.769 4.291 6.235 1.00 0.00 N ATOM 750 CZ ARG A 51 -2.185 4.679 7.449 1.00 0.00 C ATOM 751 NH1 ARG A 51 -3.408 5.205 7.601 1.00 0.00 N ATOM 752 NH2 ARG A 51 -1.377 4.541 8.508 1.00 0.00 N ATOM 0 H ARG A 51 0.804 7.001 2.280 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.871 7.530 2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.507 5.767 4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.255 7.190 5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.368 6.406 5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.992 5.904 3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.592 4.029 5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.157 3.780 4.218 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.832 3.896 6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.022 5.310 6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.725 5.500 8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.446 4.141 8.391 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.692 4.836 9.432 1.00 0.00 H new ATOM 766 N SER A 52 1.049 8.563 3.930 1.00 0.00 N ATOM 767 CA SER A 52 1.825 9.734 4.301 1.00 0.00 C ATOM 768 C SER A 52 1.291 10.968 3.571 1.00 0.00 C ATOM 769 O SER A 52 0.727 10.854 2.484 1.00 0.00 O ATOM 770 CB SER A 52 3.309 9.533 3.990 1.00 0.00 C ATOM 771 OG SER A 52 3.572 8.238 3.456 1.00 0.00 O ATOM 0 H SER A 52 1.597 7.712 3.800 1.00 0.00 H new ATOM 0 HA SER A 52 1.725 9.884 5.376 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.636 10.292 3.279 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.893 9.675 4.900 1.00 0.00 H new ATOM 0 HG SER A 52 3.024 8.096 2.656 1.00 0.00 H new ATOM 777 N LYS A 53 1.488 12.118 4.199 1.00 0.00 N ATOM 778 CA LYS A 53 1.034 13.372 3.622 1.00 0.00 C ATOM 779 C LYS A 53 1.698 13.572 2.258 1.00 0.00 C ATOM 780 O LYS A 53 1.249 14.392 1.459 1.00 0.00 O ATOM 781 CB LYS A 53 1.272 14.527 4.596 1.00 0.00 C ATOM 782 CG LYS A 53 2.740 14.592 5.023 1.00 0.00 C ATOM 783 CD LYS A 53 3.342 15.963 4.711 1.00 0.00 C ATOM 784 CE LYS A 53 4.219 16.453 5.866 1.00 0.00 C ATOM 785 NZ LYS A 53 4.707 17.823 5.601 1.00 0.00 N ATOM 0 H LYS A 53 1.956 12.208 5.101 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.042 13.345 3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.984 15.468 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.639 14.402 5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.821 14.390 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.307 13.816 4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.935 15.904 3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.543 16.681 4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.649 16.437 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.065 15.779 5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.286 18.146 6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.282 17.825 4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.896 18.463 5.480 1.00 0.00 H new ATOM 799 N TYR A 54 2.757 12.807 2.034 1.00 0.00 N ATOM 800 CA TYR A 54 3.488 12.890 0.780 1.00 0.00 C ATOM 801 C TYR A 54 3.108 11.740 -0.153 1.00 0.00 C ATOM 802 O TYR A 54 3.208 10.573 0.222 1.00 0.00 O ATOM 803 CB TYR A 54 4.968 12.767 1.146 1.00 0.00 C ATOM 804 CG TYR A 54 5.625 14.091 1.539 1.00 0.00 C ATOM 805 CD1 TYR A 54 5.586 14.519 2.851 1.00 0.00 C ATOM 806 CD2 TYR A 54 6.256 14.859 0.581 1.00 0.00 C ATOM 807 CE1 TYR A 54 6.205 15.766 3.220 1.00 0.00 C ATOM 808 CE2 TYR A 54 6.875 16.106 0.951 1.00 0.00 C ATOM 809 CZ TYR A 54 6.818 16.498 2.252 1.00 0.00 C ATOM 810 OH TYR A 54 7.402 17.675 2.601 1.00 0.00 O ATOM 0 H TYR A 54 3.126 12.127 2.699 1.00 0.00 H new ATOM 0 HA TYR A 54 3.261 13.823 0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.070 12.064 1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.507 12.343 0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.091 13.919 3.600 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.286 14.525 -0.446 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.183 16.112 4.243 1.00 0.00 H new ATOM 0 HE2 TYR A 54 7.373 16.716 0.212 1.00 0.00 H new ATOM 0 HH TYR A 54 7.802 18.089 1.808 1.00 0.00 H new ATOM 820 N ASN A 55 2.678 12.108 -1.351 1.00 0.00 N ATOM 821 CA ASN A 55 2.283 11.121 -2.341 1.00 0.00 C ATOM 822 C ASN A 55 3.525 10.384 -2.845 1.00 0.00 C ATOM 823 O ASN A 55 3.485 9.175 -3.069 1.00 0.00 O ATOM 824 CB ASN A 55 1.607 11.786 -3.542 1.00 0.00 C ATOM 825 CG ASN A 55 0.734 12.961 -3.100 1.00 0.00 C ATOM 826 OD1 ASN A 55 0.265 13.031 -1.975 1.00 0.00 O ATOM 827 ND2 ASN A 55 0.543 13.878 -4.044 1.00 0.00 N ATOM 0 H ASN A 55 2.595 13.077 -1.658 1.00 0.00 H new ATOM 0 HA ASN A 55 1.583 10.432 -1.869 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.365 12.135 -4.243 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.997 11.054 -4.071 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.025 14.702 -3.847 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.965 13.757 -4.965 1.00 0.00 H new ATOM 834 N GLU A 56 4.599 11.142 -3.007 1.00 0.00 N ATOM 835 CA GLU A 56 5.850 10.576 -3.480 1.00 0.00 C ATOM 836 C GLU A 56 6.204 9.324 -2.675 1.00 0.00 C ATOM 837 O GLU A 56 6.945 8.464 -3.150 1.00 0.00 O ATOM 838 CB GLU A 56 6.978 11.607 -3.414 1.00 0.00 C ATOM 839 CG GLU A 56 7.022 12.455 -4.688 1.00 0.00 C ATOM 840 CD GLU A 56 7.998 11.863 -5.707 1.00 0.00 C ATOM 841 OE1 GLU A 56 7.708 10.747 -6.189 1.00 0.00 O ATOM 842 OE2 GLU A 56 9.013 12.541 -5.980 1.00 0.00 O ATOM 0 H GLU A 56 4.629 12.144 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 56 5.725 10.290 -4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.835 12.253 -2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.933 11.099 -3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.025 12.513 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.322 13.473 -4.441 1.00 0.00 H new ATOM 849 N ASP A 57 5.659 9.261 -1.469 1.00 0.00 N ATOM 850 CA ASP A 57 5.907 8.128 -0.594 1.00 0.00 C ATOM 851 C ASP A 57 4.944 6.994 -0.948 1.00 0.00 C ATOM 852 O ASP A 57 5.323 5.824 -0.927 1.00 0.00 O ATOM 853 CB ASP A 57 5.678 8.504 0.871 1.00 0.00 C ATOM 854 CG ASP A 57 6.832 9.261 1.533 1.00 0.00 C ATOM 855 OD1 ASP A 57 7.839 9.490 0.829 1.00 0.00 O ATOM 856 OD2 ASP A 57 6.680 9.594 2.729 1.00 0.00 O ATOM 0 H ASP A 57 5.047 9.976 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 57 6.943 7.818 -0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.778 9.115 0.937 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.488 7.593 1.439 1.00 0.00 H new ATOM 861 N ILE A 58 3.716 7.380 -1.263 1.00 0.00 N ATOM 862 CA ILE A 58 2.696 6.410 -1.621 1.00 0.00 C ATOM 863 C ILE A 58 3.291 5.381 -2.584 1.00 0.00 C ATOM 864 O ILE A 58 3.051 4.182 -2.444 1.00 0.00 O ATOM 865 CB ILE A 58 1.453 7.116 -2.168 1.00 0.00 C ATOM 866 CG1 ILE A 58 0.759 7.930 -1.073 1.00 0.00 C ATOM 867 CG2 ILE A 58 0.502 6.119 -2.831 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.242 8.918 -1.676 1.00 0.00 C ATOM 0 H ILE A 58 3.405 8.351 -1.278 1.00 0.00 H new ATOM 0 HA ILE A 58 2.363 5.865 -0.738 1.00 0.00 H new ATOM 0 HB ILE A 58 1.771 7.818 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.244 7.258 -0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.504 8.472 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.372 6.648 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.013 5.623 -3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.187 5.375 -2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.721 9.484 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.280 9.604 -2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.999 8.371 -2.238 1.00 0.00 H new ATOM 880 N ARG A 59 4.057 5.886 -3.540 1.00 0.00 N ATOM 881 CA ARG A 59 4.688 5.026 -4.526 1.00 0.00 C ATOM 882 C ARG A 59 5.678 4.077 -3.846 1.00 0.00 C ATOM 883 O ARG A 59 5.729 2.891 -4.169 1.00 0.00 O ATOM 884 CB ARG A 59 5.424 5.848 -5.585 1.00 0.00 C ATOM 885 CG ARG A 59 4.545 6.987 -6.104 1.00 0.00 C ATOM 886 CD ARG A 59 4.126 6.739 -7.554 1.00 0.00 C ATOM 887 NE ARG A 59 4.082 8.019 -8.295 1.00 0.00 N ATOM 888 CZ ARG A 59 3.913 8.115 -9.621 1.00 0.00 C ATOM 889 NH1 ARG A 59 3.770 7.006 -10.360 1.00 0.00 N ATOM 890 NH2 ARG A 59 3.887 9.319 -10.208 1.00 0.00 N ATOM 0 H ARG A 59 4.255 6.880 -3.652 1.00 0.00 H new ATOM 0 HA ARG A 59 3.902 4.449 -5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.341 6.256 -5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.716 5.203 -6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.659 7.082 -5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.087 7.930 -6.035 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.829 6.057 -8.032 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.147 6.260 -7.581 1.00 0.00 H new ATOM 0 HE ARG A 59 4.187 8.883 -7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.790 6.089 -9.913 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.641 7.079 -11.369 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.996 10.163 -9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.758 9.392 -11.217 1.00 0.00 H new ATOM 904 N ARG A 60 6.440 4.636 -2.918 1.00 0.00 N ATOM 905 CA ARG A 60 7.426 3.855 -2.189 1.00 0.00 C ATOM 906 C ARG A 60 6.753 2.681 -1.477 1.00 0.00 C ATOM 907 O ARG A 60 7.410 1.700 -1.132 1.00 0.00 O ATOM 908 CB ARG A 60 8.158 4.717 -1.159 1.00 0.00 C ATOM 909 CG ARG A 60 9.448 5.296 -1.744 1.00 0.00 C ATOM 910 CD ARG A 60 9.465 6.821 -1.629 1.00 0.00 C ATOM 911 NE ARG A 60 10.835 7.331 -1.862 1.00 0.00 N ATOM 912 CZ ARG A 60 11.838 7.217 -0.981 1.00 0.00 C ATOM 913 NH1 ARG A 60 11.631 6.611 0.197 1.00 0.00 N ATOM 914 NH2 ARG A 60 13.049 7.710 -1.277 1.00 0.00 N ATOM 0 H ARG A 60 6.395 5.620 -2.654 1.00 0.00 H new ATOM 0 HA ARG A 60 8.150 3.478 -2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.508 5.528 -0.830 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.391 4.118 -0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.308 4.879 -1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.540 5.005 -2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.778 7.256 -2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.119 7.123 -0.641 1.00 0.00 H new ATOM 0 HE ARG A 60 11.027 7.798 -2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.710 6.236 0.423 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.395 6.525 0.867 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.207 8.172 -2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.813 7.623 -0.606 1.00 0.00 H new ATOM 928 N GLY A 61 5.450 2.819 -1.278 1.00 0.00 N ATOM 929 CA GLY A 61 4.680 1.782 -0.614 1.00 0.00 C ATOM 930 C GLY A 61 4.226 0.713 -1.609 1.00 0.00 C ATOM 931 O GLY A 61 4.305 -0.481 -1.323 1.00 0.00 O ATOM 0 H GLY A 61 4.908 3.634 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.283 1.322 0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.810 2.225 -0.129 1.00 0.00 H new ATOM 935 N ILE A 62 3.759 1.180 -2.758 1.00 0.00 N ATOM 936 CA ILE A 62 3.292 0.279 -3.798 1.00 0.00 C ATOM 937 C ILE A 62 4.384 -0.748 -4.105 1.00 0.00 C ATOM 938 O ILE A 62 4.167 -1.951 -3.965 1.00 0.00 O ATOM 939 CB ILE A 62 2.829 1.070 -5.023 1.00 0.00 C ATOM 940 CG1 ILE A 62 1.703 2.038 -4.657 1.00 0.00 C ATOM 941 CG2 ILE A 62 2.429 0.129 -6.162 1.00 0.00 C ATOM 942 CD1 ILE A 62 1.480 3.065 -5.769 1.00 0.00 C ATOM 0 H ILE A 62 3.694 2.171 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 62 2.418 -0.277 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 62 3.666 1.671 -5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.783 1.481 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.948 2.551 -3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.104 0.715 -7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.284 -0.485 -6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.614 -0.515 -5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.674 3.741 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.395 3.636 -5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.212 2.550 -6.691 1.00 0.00 H new ATOM 954 N VAL A 63 5.534 -0.236 -4.519 1.00 0.00 N ATOM 955 CA VAL A 63 6.660 -1.094 -4.846 1.00 0.00 C ATOM 956 C VAL A 63 6.641 -2.324 -3.937 1.00 0.00 C ATOM 957 O VAL A 63 6.502 -3.450 -4.413 1.00 0.00 O ATOM 958 CB VAL A 63 7.966 -0.302 -4.753 1.00 0.00 C ATOM 959 CG1 VAL A 63 7.912 0.711 -3.608 1.00 0.00 C ATOM 960 CG2 VAL A 63 9.166 -1.239 -4.601 1.00 0.00 C ATOM 0 H VAL A 63 5.710 0.762 -4.635 1.00 0.00 H new ATOM 0 HA VAL A 63 6.583 -1.449 -5.874 1.00 0.00 H new ATOM 0 HB VAL A 63 8.090 0.251 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.852 1.261 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.092 1.408 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.753 0.187 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.081 -0.651 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.052 -1.832 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.221 -1.903 -5.464 1.00 0.00 H new ATOM 970 N LEU A 64 6.781 -2.068 -2.645 1.00 0.00 N ATOM 971 CA LEU A 64 6.782 -3.140 -1.665 1.00 0.00 C ATOM 972 C LEU A 64 5.530 -3.998 -1.854 1.00 0.00 C ATOM 973 O LEU A 64 5.623 -5.217 -1.992 1.00 0.00 O ATOM 974 CB LEU A 64 6.931 -2.573 -0.251 1.00 0.00 C ATOM 975 CG LEU A 64 7.773 -1.302 -0.123 1.00 0.00 C ATOM 976 CD1 LEU A 64 8.073 -0.989 1.344 1.00 0.00 C ATOM 977 CD2 LEU A 64 9.050 -1.403 -0.961 1.00 0.00 C ATOM 0 H LEU A 64 6.895 -1.133 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 64 7.642 -3.792 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.936 -2.367 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.372 -3.342 0.383 1.00 0.00 H new ATOM 0 HG LEU A 64 7.194 -0.467 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.673 -0.081 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.137 -0.844 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.623 -1.819 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.630 -0.487 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.643 -2.251 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.787 -1.543 -2.009 1.00 0.00 H new ATOM 989 N LEU A 65 4.386 -3.329 -1.853 1.00 0.00 N ATOM 990 CA LEU A 65 3.117 -4.016 -2.023 1.00 0.00 C ATOM 991 C LEU A 65 3.179 -4.888 -3.278 1.00 0.00 C ATOM 992 O LEU A 65 2.780 -6.052 -3.249 1.00 0.00 O ATOM 993 CB LEU A 65 1.962 -3.012 -2.028 1.00 0.00 C ATOM 994 CG LEU A 65 1.231 -2.824 -0.696 1.00 0.00 C ATOM 995 CD1 LEU A 65 2.219 -2.796 0.472 1.00 0.00 C ATOM 996 CD2 LEU A 65 0.345 -1.577 -0.728 1.00 0.00 C ATOM 0 H LEU A 65 4.312 -2.318 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 65 2.927 -4.682 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.349 -2.044 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.236 -3.327 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 65 0.575 -3.681 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.674 -2.661 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.770 -3.736 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.918 -1.971 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.163 -1.467 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.961 -0.698 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.395 -1.677 -1.522 1.00 0.00 H new ATOM 1008 N GLU A 66 3.681 -4.294 -4.350 1.00 0.00 N ATOM 1009 CA GLU A 66 3.800 -5.003 -5.613 1.00 0.00 C ATOM 1010 C GLU A 66 4.859 -6.103 -5.506 1.00 0.00 C ATOM 1011 O GLU A 66 5.006 -6.917 -6.416 1.00 0.00 O ATOM 1012 CB GLU A 66 4.124 -4.038 -6.755 1.00 0.00 C ATOM 1013 CG GLU A 66 2.858 -3.347 -7.265 1.00 0.00 C ATOM 1014 CD GLU A 66 3.071 -2.778 -8.669 1.00 0.00 C ATOM 1015 OE1 GLU A 66 3.520 -1.613 -8.747 1.00 0.00 O ATOM 1016 OE2 GLU A 66 2.783 -3.520 -9.633 1.00 0.00 O ATOM 0 H GLU A 66 4.010 -3.329 -4.370 1.00 0.00 H new ATOM 0 HA GLU A 66 2.841 -5.470 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.838 -3.289 -6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.600 -4.582 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.032 -4.058 -7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.577 -2.545 -6.582 1.00 0.00 H new ATOM 1023 N GLU A 67 5.569 -6.090 -4.388 1.00 0.00 N ATOM 1024 CA GLU A 67 6.610 -7.076 -4.152 1.00 0.00 C ATOM 1025 C GLU A 67 6.117 -8.142 -3.172 1.00 0.00 C ATOM 1026 O GLU A 67 6.585 -9.280 -3.199 1.00 0.00 O ATOM 1027 CB GLU A 67 7.888 -6.411 -3.640 1.00 0.00 C ATOM 1028 CG GLU A 67 8.724 -5.864 -4.800 1.00 0.00 C ATOM 1029 CD GLU A 67 10.183 -6.312 -4.682 1.00 0.00 C ATOM 1030 OE1 GLU A 67 10.389 -7.527 -4.478 1.00 0.00 O ATOM 1031 OE2 GLU A 67 11.058 -5.427 -4.798 1.00 0.00 O ATOM 0 H GLU A 67 5.444 -5.413 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 67 6.846 -7.561 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.632 -5.601 -2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.475 -7.133 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.309 -6.209 -5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.673 -4.775 -4.808 1.00 0.00 H new ATOM 1038 N LEU A 68 5.178 -7.738 -2.329 1.00 0.00 N ATOM 1039 CA LEU A 68 4.617 -8.645 -1.343 1.00 0.00 C ATOM 1040 C LEU A 68 3.429 -9.389 -1.956 1.00 0.00 C ATOM 1041 O LEU A 68 2.991 -10.410 -1.429 1.00 0.00 O ATOM 1042 CB LEU A 68 4.273 -7.892 -0.056 1.00 0.00 C ATOM 1043 CG LEU A 68 5.457 -7.307 0.717 1.00 0.00 C ATOM 1044 CD1 LEU A 68 4.999 -6.200 1.668 1.00 0.00 C ATOM 1045 CD2 LEU A 68 6.232 -8.407 1.446 1.00 0.00 C ATOM 0 H LEU A 68 4.792 -6.794 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 68 5.352 -9.398 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.591 -7.079 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.733 -8.570 0.605 1.00 0.00 H new ATOM 0 HG LEU A 68 6.141 -6.851 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.860 -5.802 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.527 -5.401 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.283 -6.607 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.068 -7.965 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.571 -8.913 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.610 -9.128 0.721 1.00 0.00 H new ATOM 1057 N LEU A 69 2.941 -8.847 -3.063 1.00 0.00 N ATOM 1058 CA LEU A 69 1.812 -9.446 -3.754 1.00 0.00 C ATOM 1059 C LEU A 69 2.033 -10.955 -3.872 1.00 0.00 C ATOM 1060 O LEU A 69 1.274 -11.742 -3.310 1.00 0.00 O ATOM 1061 CB LEU A 69 1.578 -8.752 -5.098 1.00 0.00 C ATOM 1062 CG LEU A 69 0.329 -7.873 -5.191 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -0.935 -8.683 -4.902 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.450 -6.652 -4.275 1.00 0.00 C ATOM 0 H LEU A 69 3.307 -8.000 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 69 0.895 -9.302 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.449 -8.136 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.519 -9.516 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 69 0.246 -7.503 -6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.808 -8.034 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.023 -9.492 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.877 -9.102 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.450 -6.043 -4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.570 -6.982 -3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.317 -6.061 -4.570 1.00 0.00 H new ATOM 1076 N PRO A 70 3.105 -11.321 -4.624 1.00 0.00 N ATOM 1077 CA PRO A 70 3.435 -12.722 -4.822 1.00 0.00 C ATOM 1078 C PRO A 70 4.070 -13.319 -3.565 1.00 0.00 C ATOM 1079 O PRO A 70 4.018 -14.529 -3.352 1.00 0.00 O ATOM 1080 CB PRO A 70 4.367 -12.741 -6.023 1.00 0.00 C ATOM 1081 CG PRO A 70 4.891 -11.322 -6.166 1.00 0.00 C ATOM 1082 CD PRO A 70 4.026 -10.416 -5.304 1.00 0.00 C ATOM 0 HA PRO A 70 2.555 -13.339 -5.007 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.185 -13.446 -5.872 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.838 -13.055 -6.923 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.933 -11.267 -5.852 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.855 -11.005 -7.208 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.629 -9.855 -4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.489 -9.687 -5.911 1.00 0.00 H new ATOM 1090 N LYS A 71 4.657 -12.442 -2.763 1.00 0.00 N ATOM 1091 CA LYS A 71 5.301 -12.866 -1.532 1.00 0.00 C ATOM 1092 C LYS A 71 4.314 -12.728 -0.371 1.00 0.00 C ATOM 1093 O LYS A 71 4.680 -12.265 0.708 1.00 0.00 O ATOM 1094 CB LYS A 71 6.610 -12.102 -1.321 1.00 0.00 C ATOM 1095 CG LYS A 71 7.439 -12.070 -2.607 1.00 0.00 C ATOM 1096 CD LYS A 71 8.775 -11.361 -2.379 1.00 0.00 C ATOM 1097 CE LYS A 71 9.936 -12.358 -2.399 1.00 0.00 C ATOM 1098 NZ LYS A 71 10.287 -12.772 -1.023 1.00 0.00 N ATOM 0 H LYS A 71 4.700 -11.439 -2.943 1.00 0.00 H new ATOM 0 HA LYS A 71 5.579 -13.918 -1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.393 -11.084 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.186 -12.573 -0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.618 -13.088 -2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.881 -11.559 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.926 -10.606 -3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.755 -10.840 -1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.662 -13.232 -2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.803 -11.906 -2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.076 -13.448 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.568 -11.937 -0.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.463 -13.222 -0.575 1.00 0.00 H new ATOM 1112 N GLY A 72 3.082 -13.139 -0.632 1.00 0.00 N ATOM 1113 CA GLY A 72 2.040 -13.067 0.378 1.00 0.00 C ATOM 1114 C GLY A 72 0.994 -14.163 0.165 1.00 0.00 C ATOM 1115 O GLY A 72 0.843 -14.676 -0.942 1.00 0.00 O ATOM 0 H GLY A 72 2.782 -13.523 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.482 -13.168 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.560 -12.089 0.341 1.00 0.00 H new ATOM 1119 N SER A 73 0.297 -14.490 1.245 1.00 0.00 N ATOM 1120 CA SER A 73 -0.731 -15.515 1.190 1.00 0.00 C ATOM 1121 C SER A 73 -1.982 -14.965 0.504 1.00 0.00 C ATOM 1122 O SER A 73 -1.893 -14.072 -0.337 1.00 0.00 O ATOM 1123 CB SER A 73 -1.074 -16.026 2.591 1.00 0.00 C ATOM 1124 OG SER A 73 -1.892 -17.191 2.549 1.00 0.00 O ATOM 0 H SER A 73 0.425 -14.063 2.162 1.00 0.00 H new ATOM 0 HA SER A 73 -0.347 -16.354 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.154 -16.249 3.131 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.588 -15.242 3.147 1.00 0.00 H new ATOM 0 HG SER A 73 -2.629 -17.096 3.188 1.00 0.00 H new ATOM 1130 N LYS A 74 -3.122 -15.522 0.889 1.00 0.00 N ATOM 1131 CA LYS A 74 -4.391 -15.098 0.321 1.00 0.00 C ATOM 1132 C LYS A 74 -4.798 -13.757 0.936 1.00 0.00 C ATOM 1133 O LYS A 74 -4.587 -12.705 0.335 1.00 0.00 O ATOM 1134 CB LYS A 74 -5.445 -16.196 0.486 1.00 0.00 C ATOM 1135 CG LYS A 74 -5.397 -17.181 -0.684 1.00 0.00 C ATOM 1136 CD LYS A 74 -6.554 -18.179 -0.608 1.00 0.00 C ATOM 1137 CE LYS A 74 -6.102 -19.577 -1.033 1.00 0.00 C ATOM 1138 NZ LYS A 74 -5.740 -20.387 0.152 1.00 0.00 N ATOM 0 H LYS A 74 -3.193 -16.263 1.587 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.294 -14.940 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.277 -16.729 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.436 -15.747 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.444 -16.635 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.448 -17.717 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.943 -18.213 0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.369 -17.846 -1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.900 -20.070 -1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.246 -19.501 -1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.435 -21.333 -0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.964 -19.923 0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.566 -20.475 0.778 1.00 0.00 H new ATOM 1152 N GLU A 75 -5.373 -13.840 2.128 1.00 0.00 N ATOM 1153 CA GLU A 75 -5.811 -12.646 2.830 1.00 0.00 C ATOM 1154 C GLU A 75 -4.710 -11.585 2.813 1.00 0.00 C ATOM 1155 O GLU A 75 -4.987 -10.394 2.941 1.00 0.00 O ATOM 1156 CB GLU A 75 -6.231 -12.978 4.263 1.00 0.00 C ATOM 1157 CG GLU A 75 -7.719 -13.327 4.332 1.00 0.00 C ATOM 1158 CD GLU A 75 -8.265 -13.131 5.748 1.00 0.00 C ATOM 1159 OE1 GLU A 75 -7.652 -13.702 6.676 1.00 0.00 O ATOM 1160 OE2 GLU A 75 -9.281 -12.414 5.870 1.00 0.00 O ATOM 0 H GLU A 75 -5.545 -14.715 2.624 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.683 -12.243 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.640 -13.815 4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.023 -12.128 4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.275 -12.701 3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.868 -14.361 4.021 1.00 0.00 H new ATOM 1167 N GLU A 76 -3.482 -12.056 2.653 1.00 0.00 N ATOM 1168 CA GLU A 76 -2.336 -11.163 2.618 1.00 0.00 C ATOM 1169 C GLU A 76 -2.394 -10.275 1.374 1.00 0.00 C ATOM 1170 O GLU A 76 -1.970 -9.121 1.410 1.00 0.00 O ATOM 1171 CB GLU A 76 -1.025 -11.949 2.669 1.00 0.00 C ATOM 1172 CG GLU A 76 -0.784 -12.524 4.067 1.00 0.00 C ATOM 1173 CD GLU A 76 0.237 -11.684 4.836 1.00 0.00 C ATOM 1174 OE1 GLU A 76 0.028 -10.453 4.898 1.00 0.00 O ATOM 1175 OE2 GLU A 76 1.203 -12.292 5.347 1.00 0.00 O ATOM 0 H GLU A 76 -3.255 -13.045 2.546 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.372 -10.524 3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.053 -12.758 1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.196 -11.298 2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.724 -12.555 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.428 -13.551 3.985 1.00 0.00 H new ATOM 1182 N GLN A 77 -2.922 -10.847 0.301 1.00 0.00 N ATOM 1183 CA GLN A 77 -3.041 -10.121 -0.952 1.00 0.00 C ATOM 1184 C GLN A 77 -4.256 -9.191 -0.914 1.00 0.00 C ATOM 1185 O GLN A 77 -4.332 -8.232 -1.679 1.00 0.00 O ATOM 1186 CB GLN A 77 -3.125 -11.084 -2.137 1.00 0.00 C ATOM 1187 CG GLN A 77 -1.736 -11.595 -2.528 1.00 0.00 C ATOM 1188 CD GLN A 77 -1.820 -12.562 -3.710 1.00 0.00 C ATOM 1189 OE1 GLN A 77 -2.457 -12.298 -4.718 1.00 0.00 O ATOM 1190 NE2 GLN A 77 -1.144 -13.693 -3.534 1.00 0.00 N ATOM 0 H GLN A 77 -3.272 -11.805 0.274 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.146 -9.512 -1.083 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.767 -11.926 -1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.584 -10.580 -2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.095 -10.753 -2.788 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.276 -12.096 -1.676 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.632 -13.851 -2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.138 -14.403 -4.267 1.00 0.00 H new ATOM 1199 N ARG A 78 -5.177 -9.509 -0.015 1.00 0.00 N ATOM 1200 CA ARG A 78 -6.384 -8.715 0.132 1.00 0.00 C ATOM 1201 C ARG A 78 -6.042 -7.325 0.669 1.00 0.00 C ATOM 1202 O ARG A 78 -6.635 -6.330 0.252 1.00 0.00 O ATOM 1203 CB ARG A 78 -7.376 -9.392 1.079 1.00 0.00 C ATOM 1204 CG ARG A 78 -8.261 -10.388 0.328 1.00 0.00 C ATOM 1205 CD ARG A 78 -7.475 -11.646 -0.046 1.00 0.00 C ATOM 1206 NE ARG A 78 -8.208 -12.852 0.400 1.00 0.00 N ATOM 1207 CZ ARG A 78 -8.041 -14.072 -0.130 1.00 0.00 C ATOM 1208 NH1 ARG A 78 -7.164 -14.255 -1.126 1.00 0.00 N ATOM 1209 NH2 ARG A 78 -8.749 -15.109 0.339 1.00 0.00 N ATOM 0 H ARG A 78 -5.111 -10.306 0.618 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.844 -8.624 -0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.833 -9.908 1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.999 -8.637 1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.116 -10.660 0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.657 -9.921 -0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.322 -11.682 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.488 -11.619 0.416 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.882 -12.748 1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.623 -13.466 -1.481 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.037 -15.183 -1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.415 -14.970 1.099 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.622 -16.037 -0.064 1.00 0.00 H new ATOM 1223 N ASP A 79 -5.088 -7.299 1.589 1.00 0.00 N ATOM 1224 CA ASP A 79 -4.660 -6.047 2.189 1.00 0.00 C ATOM 1225 C ASP A 79 -3.675 -5.348 1.250 1.00 0.00 C ATOM 1226 O ASP A 79 -3.328 -4.186 1.462 1.00 0.00 O ATOM 1227 CB ASP A 79 -3.952 -6.289 3.523 1.00 0.00 C ATOM 1228 CG ASP A 79 -4.645 -5.679 4.743 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -5.839 -5.336 4.605 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -3.964 -5.569 5.786 1.00 0.00 O ATOM 0 H ASP A 79 -4.600 -8.126 1.933 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.545 -5.433 2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.858 -7.364 3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.941 -5.886 3.459 1.00 0.00 H new ATOM 1235 N TYR A 80 -3.251 -6.083 0.233 1.00 0.00 N ATOM 1236 CA TYR A 80 -2.313 -5.548 -0.738 1.00 0.00 C ATOM 1237 C TYR A 80 -3.048 -4.841 -1.879 1.00 0.00 C ATOM 1238 O TYR A 80 -3.039 -3.613 -1.960 1.00 0.00 O ATOM 1239 CB TYR A 80 -1.558 -6.753 -1.303 1.00 0.00 C ATOM 1240 CG TYR A 80 -0.601 -7.412 -0.308 1.00 0.00 C ATOM 1241 CD1 TYR A 80 -0.349 -6.809 0.908 1.00 0.00 C ATOM 1242 CD2 TYR A 80 0.011 -8.606 -0.626 1.00 0.00 C ATOM 1243 CE1 TYR A 80 0.552 -7.429 1.845 1.00 0.00 C ATOM 1244 CE2 TYR A 80 0.912 -9.226 0.311 1.00 0.00 C ATOM 1245 CZ TYR A 80 1.138 -8.607 1.500 1.00 0.00 C ATOM 1246 OH TYR A 80 1.989 -9.192 2.385 1.00 0.00 O ATOM 0 H TYR A 80 -3.540 -7.046 0.060 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.650 -4.821 -0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.281 -7.495 -1.642 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.993 -6.436 -2.179 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.827 -5.873 1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.185 -9.076 -1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.758 -6.969 2.800 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.397 -10.161 0.074 1.00 0.00 H new ATOM 0 HH TYR A 80 2.332 -10.028 2.005 1.00 0.00 H new ATOM 1256 N VAL A 81 -3.665 -5.645 -2.731 1.00 0.00 N ATOM 1257 CA VAL A 81 -4.404 -5.111 -3.863 1.00 0.00 C ATOM 1258 C VAL A 81 -5.114 -3.824 -3.441 1.00 0.00 C ATOM 1259 O VAL A 81 -5.038 -2.812 -4.136 1.00 0.00 O ATOM 1260 CB VAL A 81 -5.362 -6.172 -4.410 1.00 0.00 C ATOM 1261 CG1 VAL A 81 -6.097 -5.659 -5.649 1.00 0.00 C ATOM 1262 CG2 VAL A 81 -4.622 -7.476 -4.710 1.00 0.00 C ATOM 0 H VAL A 81 -3.669 -6.663 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.725 -4.855 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.107 -6.380 -3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.771 -6.432 -6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.672 -4.770 -5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.373 -5.409 -6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.326 -8.213 -5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.845 -7.291 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.167 -7.855 -3.795 1.00 0.00 H new ATOM 1272 N PHE A 82 -5.790 -3.903 -2.304 1.00 0.00 N ATOM 1273 CA PHE A 82 -6.513 -2.756 -1.782 1.00 0.00 C ATOM 1274 C PHE A 82 -5.575 -1.568 -1.566 1.00 0.00 C ATOM 1275 O PHE A 82 -5.716 -0.535 -2.216 1.00 0.00 O ATOM 1276 CB PHE A 82 -7.104 -3.176 -0.435 1.00 0.00 C ATOM 1277 CG PHE A 82 -7.659 -2.014 0.391 1.00 0.00 C ATOM 1278 CD1 PHE A 82 -8.139 -0.905 -0.233 1.00 0.00 C ATOM 1279 CD2 PHE A 82 -7.672 -2.090 1.749 1.00 0.00 C ATOM 1280 CE1 PHE A 82 -8.654 0.173 0.533 1.00 0.00 C ATOM 1281 CE2 PHE A 82 -8.187 -1.011 2.515 1.00 0.00 C ATOM 1282 CZ PHE A 82 -8.667 0.098 1.891 1.00 0.00 C ATOM 0 H PHE A 82 -5.852 -4.744 -1.730 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.285 -2.450 -2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.902 -3.898 -0.609 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.334 -3.685 0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.128 -0.845 -1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -7.291 -2.971 2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.036 1.053 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -8.198 -1.071 3.593 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.058 0.919 2.474 1.00 0.00 H new ATOM 1292 N TYR A 83 -4.637 -1.755 -0.649 1.00 0.00 N ATOM 1293 CA TYR A 83 -3.674 -0.711 -0.338 1.00 0.00 C ATOM 1294 C TYR A 83 -2.890 -0.300 -1.585 1.00 0.00 C ATOM 1295 O TYR A 83 -2.392 0.822 -1.667 1.00 0.00 O ATOM 1296 CB TYR A 83 -2.708 -1.318 0.682 1.00 0.00 C ATOM 1297 CG TYR A 83 -3.321 -1.534 2.067 1.00 0.00 C ATOM 1298 CD1 TYR A 83 -4.624 -1.155 2.313 1.00 0.00 C ATOM 1299 CD2 TYR A 83 -2.568 -2.107 3.072 1.00 0.00 C ATOM 1300 CE1 TYR A 83 -5.200 -1.359 3.616 1.00 0.00 C ATOM 1301 CE2 TYR A 83 -3.144 -2.310 4.376 1.00 0.00 C ATOM 1302 CZ TYR A 83 -4.432 -1.926 4.584 1.00 0.00 C ATOM 1303 OH TYR A 83 -4.976 -2.118 5.815 1.00 0.00 O ATOM 0 H TYR A 83 -4.523 -2.614 -0.111 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.179 0.177 0.043 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.348 -2.274 0.302 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.840 -0.666 0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.213 -0.705 1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.547 -2.403 2.880 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.220 -1.068 3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.566 -2.757 5.171 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.312 -2.533 6.405 1.00 0.00 H new ATOM 1313 N LEU A 84 -2.804 -1.230 -2.524 1.00 0.00 N ATOM 1314 CA LEU A 84 -2.088 -0.979 -3.764 1.00 0.00 C ATOM 1315 C LEU A 84 -2.907 -0.025 -4.636 1.00 0.00 C ATOM 1316 O LEU A 84 -2.355 0.675 -5.483 1.00 0.00 O ATOM 1317 CB LEU A 84 -1.736 -2.297 -4.456 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.357 -2.362 -5.114 1.00 0.00 C ATOM 1319 CD1 LEU A 84 0.020 -3.804 -5.455 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.288 -1.446 -6.337 1.00 0.00 C ATOM 0 H LEU A 84 -3.218 -2.159 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.136 -0.489 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.804 -3.099 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.490 -2.497 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 84 0.380 -1.997 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.005 -3.822 -5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.040 -4.400 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.716 -4.219 -6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.703 -1.512 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.037 -1.755 -7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.481 -0.417 -6.032 1.00 0.00 H new ATOM 1332 N ALA A 85 -4.210 -0.030 -4.399 1.00 0.00 N ATOM 1333 CA ALA A 85 -5.111 0.827 -5.153 1.00 0.00 C ATOM 1334 C ALA A 85 -5.249 2.171 -4.436 1.00 0.00 C ATOM 1335 O ALA A 85 -4.996 3.221 -5.025 1.00 0.00 O ATOM 1336 CB ALA A 85 -6.456 0.121 -5.331 1.00 0.00 C ATOM 0 H ALA A 85 -4.664 -0.613 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.711 1.024 -6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.132 0.763 -5.896 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.307 -0.814 -5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.889 -0.090 -4.353 1.00 0.00 H new ATOM 1342 N VAL A 86 -5.648 2.096 -3.175 1.00 0.00 N ATOM 1343 CA VAL A 86 -5.822 3.294 -2.372 1.00 0.00 C ATOM 1344 C VAL A 86 -4.612 4.212 -2.565 1.00 0.00 C ATOM 1345 O VAL A 86 -4.765 5.425 -2.697 1.00 0.00 O ATOM 1346 CB VAL A 86 -6.056 2.914 -0.908 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -4.769 2.396 -0.264 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -6.627 4.095 -0.120 1.00 0.00 C ATOM 0 H VAL A 86 -5.856 1.223 -2.689 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.705 3.846 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.790 2.109 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.963 2.133 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.422 1.514 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.004 3.171 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.784 3.799 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.927 4.930 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.577 4.399 -0.558 1.00 0.00 H new ATOM 1358 N GLY A 87 -3.439 3.597 -2.576 1.00 0.00 N ATOM 1359 CA GLY A 87 -2.205 4.344 -2.750 1.00 0.00 C ATOM 1360 C GLY A 87 -2.083 4.874 -4.180 1.00 0.00 C ATOM 1361 O GLY A 87 -1.719 6.031 -4.388 1.00 0.00 O ATOM 0 H GLY A 87 -3.317 2.590 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.177 5.176 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.353 3.704 -2.521 1.00 0.00 H new ATOM 1365 N ASN A 88 -2.393 4.003 -5.129 1.00 0.00 N ATOM 1366 CA ASN A 88 -2.323 4.370 -6.533 1.00 0.00 C ATOM 1367 C ASN A 88 -3.319 5.497 -6.812 1.00 0.00 C ATOM 1368 O ASN A 88 -2.974 6.493 -7.448 1.00 0.00 O ATOM 1369 CB ASN A 88 -2.687 3.186 -7.431 1.00 0.00 C ATOM 1370 CG ASN A 88 -1.430 2.459 -7.915 1.00 0.00 C ATOM 1371 OD1 ASN A 88 -0.495 3.056 -8.423 1.00 0.00 O ATOM 1372 ND2 ASN A 88 -1.461 1.143 -7.732 1.00 0.00 N ATOM 0 H ASN A 88 -2.693 3.044 -4.953 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.302 4.686 -6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.325 2.492 -6.883 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.261 3.538 -8.288 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.670 0.569 -8.023 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.276 0.707 -7.300 1.00 0.00 H new ATOM 1379 N TYR A 89 -4.535 5.304 -6.324 1.00 0.00 N ATOM 1380 CA TYR A 89 -5.584 6.292 -6.512 1.00 0.00 C ATOM 1381 C TYR A 89 -5.086 7.695 -6.158 1.00 0.00 C ATOM 1382 O TYR A 89 -5.286 8.639 -6.920 1.00 0.00 O ATOM 1383 CB TYR A 89 -6.707 5.905 -5.548 1.00 0.00 C ATOM 1384 CG TYR A 89 -7.635 7.063 -5.176 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -8.744 7.335 -5.950 1.00 0.00 C ATOM 1386 CD2 TYR A 89 -7.362 7.836 -4.065 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -9.617 8.425 -5.599 1.00 0.00 C ATOM 1388 CE2 TYR A 89 -8.235 8.926 -3.714 1.00 0.00 C ATOM 1389 CZ TYR A 89 -9.320 9.166 -4.499 1.00 0.00 C ATOM 1390 OH TYR A 89 -10.144 10.197 -4.168 1.00 0.00 O ATOM 0 H TYR A 89 -4.818 4.477 -5.798 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.912 6.309 -7.551 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.299 5.108 -5.998 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.266 5.499 -4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.957 6.730 -6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.494 7.623 -3.459 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.488 8.649 -6.197 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.033 9.539 -2.848 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.809 10.637 -3.359 1.00 0.00 H new ATOM 1400 N ARG A 90 -4.445 7.787 -5.001 1.00 0.00 N ATOM 1401 CA ARG A 90 -3.917 9.058 -4.537 1.00 0.00 C ATOM 1402 C ARG A 90 -3.009 9.675 -5.602 1.00 0.00 C ATOM 1403 O ARG A 90 -2.884 10.897 -5.685 1.00 0.00 O ATOM 1404 CB ARG A 90 -3.125 8.884 -3.240 1.00 0.00 C ATOM 1405 CG ARG A 90 -3.469 9.987 -2.237 1.00 0.00 C ATOM 1406 CD ARG A 90 -2.593 11.222 -2.457 1.00 0.00 C ATOM 1407 NE ARG A 90 -3.372 12.450 -2.185 1.00 0.00 N ATOM 1408 CZ ARG A 90 -4.249 12.989 -3.042 1.00 0.00 C ATOM 1409 NH1 ARG A 90 -4.466 12.411 -4.231 1.00 0.00 N ATOM 1410 NH2 ARG A 90 -4.911 14.106 -2.710 1.00 0.00 N ATOM 0 H ARG A 90 -4.280 7.001 -4.372 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.762 9.720 -4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.344 7.909 -2.804 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.057 8.904 -3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.520 10.260 -2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.332 9.616 -1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.722 11.182 -1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.221 11.237 -3.482 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.232 12.916 -1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.963 11.560 -4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.134 12.822 -4.883 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.747 14.546 -1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.579 14.516 -3.363 1.00 0.00 H new ATOM 1424 N LEU A 91 -2.397 8.803 -6.390 1.00 0.00 N ATOM 1425 CA LEU A 91 -1.503 9.248 -7.447 1.00 0.00 C ATOM 1426 C LEU A 91 -2.295 9.401 -8.748 1.00 0.00 C ATOM 1427 O LEU A 91 -1.714 9.626 -9.808 1.00 0.00 O ATOM 1428 CB LEU A 91 -0.303 8.308 -7.564 1.00 0.00 C ATOM 1429 CG LEU A 91 0.435 7.995 -6.260 1.00 0.00 C ATOM 1430 CD1 LEU A 91 0.906 6.539 -6.233 1.00 0.00 C ATOM 1431 CD2 LEU A 91 1.587 8.975 -6.032 1.00 0.00 C ATOM 0 H LEU A 91 -2.502 7.791 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.089 10.228 -7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.644 7.369 -8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.408 8.745 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.263 8.123 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.427 6.343 -5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.044 5.876 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.582 6.360 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.094 8.730 -5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.294 8.904 -6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.195 9.991 -5.976 1.00 0.00 H new ATOM 1443 N LYS A 92 -3.607 9.272 -8.623 1.00 0.00 N ATOM 1444 CA LYS A 92 -4.484 9.392 -9.776 1.00 0.00 C ATOM 1445 C LYS A 92 -4.298 8.174 -10.681 1.00 0.00 C ATOM 1446 O LYS A 92 -4.461 8.269 -11.897 1.00 0.00 O ATOM 1447 CB LYS A 92 -4.254 10.727 -10.486 1.00 0.00 C ATOM 1448 CG LYS A 92 -4.496 11.904 -9.538 1.00 0.00 C ATOM 1449 CD LYS A 92 -4.804 13.183 -10.318 1.00 0.00 C ATOM 1450 CE LYS A 92 -5.364 14.267 -9.394 1.00 0.00 C ATOM 1451 NZ LYS A 92 -4.265 15.053 -8.791 1.00 0.00 N ATOM 0 H LYS A 92 -4.085 9.086 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.528 9.400 -9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.234 10.768 -10.869 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.920 10.805 -11.345 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.326 11.673 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.617 12.058 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.897 13.545 -10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -5.523 12.967 -11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.025 14.927 -9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.965 13.809 -8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.663 15.784 -8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.650 14.422 -8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.708 15.506 -9.544 1.00 0.00 H new ATOM 1465 N GLU A 93 -3.962 7.056 -10.054 1.00 0.00 N ATOM 1466 CA GLU A 93 -3.754 5.820 -10.788 1.00 0.00 C ATOM 1467 C GLU A 93 -5.019 4.960 -10.751 1.00 0.00 C ATOM 1468 O GLU A 93 -5.001 3.846 -10.232 1.00 0.00 O ATOM 1469 CB GLU A 93 -2.552 5.050 -10.236 1.00 0.00 C ATOM 1470 CG GLU A 93 -1.257 5.489 -10.922 1.00 0.00 C ATOM 1471 CD GLU A 93 -1.046 4.729 -12.234 1.00 0.00 C ATOM 1472 OE1 GLU A 93 -2.035 4.615 -12.989 1.00 0.00 O ATOM 1473 OE2 GLU A 93 0.100 4.279 -12.451 1.00 0.00 O ATOM 0 H GLU A 93 -3.829 6.981 -9.046 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.539 6.070 -11.827 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.472 5.215 -9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.702 3.981 -10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.291 6.560 -11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.412 5.314 -10.257 1.00 0.00 H new ATOM 1480 N TYR A 94 -6.087 5.511 -11.310 1.00 0.00 N ATOM 1481 CA TYR A 94 -7.358 4.809 -11.348 1.00 0.00 C ATOM 1482 C TYR A 94 -7.243 3.508 -12.144 1.00 0.00 C ATOM 1483 O TYR A 94 -7.468 2.425 -11.606 1.00 0.00 O ATOM 1484 CB TYR A 94 -8.335 5.746 -12.062 1.00 0.00 C ATOM 1485 CG TYR A 94 -8.286 7.192 -11.566 1.00 0.00 C ATOM 1486 CD1 TYR A 94 -7.903 7.464 -10.269 1.00 0.00 C ATOM 1487 CD2 TYR A 94 -8.626 8.224 -12.416 1.00 0.00 C ATOM 1488 CE1 TYR A 94 -7.857 8.826 -9.802 1.00 0.00 C ATOM 1489 CE2 TYR A 94 -8.580 9.586 -11.950 1.00 0.00 C ATOM 1490 CZ TYR A 94 -8.197 9.819 -10.666 1.00 0.00 C ATOM 1491 OH TYR A 94 -8.154 11.106 -10.225 1.00 0.00 O ATOM 0 H TYR A 94 -6.098 6.436 -11.740 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.685 4.552 -10.340 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.121 5.732 -13.131 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.348 5.363 -11.935 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.638 6.656 -9.604 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.927 8.011 -13.431 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.559 9.053 -8.789 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.844 10.403 -12.605 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.421 11.709 -10.950 1.00 0.00 H new ATOM 1501 N GLU A 95 -6.892 3.658 -13.412 1.00 0.00 N ATOM 1502 CA GLU A 95 -6.743 2.507 -14.288 1.00 0.00 C ATOM 1503 C GLU A 95 -6.115 1.338 -13.527 1.00 0.00 C ATOM 1504 O GLU A 95 -6.390 0.177 -13.830 1.00 0.00 O ATOM 1505 CB GLU A 95 -5.917 2.864 -15.526 1.00 0.00 C ATOM 1506 CG GLU A 95 -6.742 3.680 -16.521 1.00 0.00 C ATOM 1507 CD GLU A 95 -6.445 3.254 -17.960 1.00 0.00 C ATOM 1508 OE1 GLU A 95 -6.858 2.129 -18.315 1.00 0.00 O ATOM 1509 OE2 GLU A 95 -5.812 4.062 -18.672 1.00 0.00 O ATOM 0 H GLU A 95 -6.706 4.558 -13.854 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.733 2.203 -14.628 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.036 3.432 -15.228 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.561 1.952 -16.005 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.804 3.550 -16.311 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.521 4.740 -16.399 1.00 0.00 H new ATOM 1516 N LYS A 96 -5.286 1.684 -12.555 1.00 0.00 N ATOM 1517 CA LYS A 96 -4.618 0.677 -11.747 1.00 0.00 C ATOM 1518 C LYS A 96 -5.444 0.407 -10.488 1.00 0.00 C ATOM 1519 O LYS A 96 -5.832 -0.730 -10.229 1.00 0.00 O ATOM 1520 CB LYS A 96 -3.174 1.094 -11.458 1.00 0.00 C ATOM 1521 CG LYS A 96 -2.238 0.648 -12.583 1.00 0.00 C ATOM 1522 CD LYS A 96 -0.839 1.237 -12.398 1.00 0.00 C ATOM 1523 CE LYS A 96 0.048 0.936 -13.608 1.00 0.00 C ATOM 1524 NZ LYS A 96 1.478 1.021 -13.238 1.00 0.00 N ATOM 0 H LYS A 96 -5.061 2.648 -12.308 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.551 -0.265 -12.292 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.121 2.177 -11.344 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.848 0.657 -10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.179 -0.440 -12.602 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.644 0.962 -13.545 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.911 2.315 -12.255 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.383 0.825 -11.497 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.176 -0.060 -13.991 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.169 1.642 -14.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.065 0.814 -14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.691 1.979 -12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.684 0.330 -12.489 1.00 0.00 H new ATOM 1538 N ALA A 97 -5.689 1.473 -9.740 1.00 0.00 N ATOM 1539 CA ALA A 97 -6.462 1.366 -8.515 1.00 0.00 C ATOM 1540 C ALA A 97 -7.631 0.405 -8.737 1.00 0.00 C ATOM 1541 O ALA A 97 -7.701 -0.650 -8.109 1.00 0.00 O ATOM 1542 CB ALA A 97 -6.924 2.757 -8.079 1.00 0.00 C ATOM 0 H ALA A 97 -5.365 2.415 -9.959 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.850 0.960 -7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.504 2.676 -7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.055 3.391 -7.905 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.543 3.197 -8.861 1.00 0.00 H new ATOM 1548 N LEU A 98 -8.521 0.806 -9.633 1.00 0.00 N ATOM 1549 CA LEU A 98 -9.684 -0.007 -9.947 1.00 0.00 C ATOM 1550 C LEU A 98 -9.267 -1.476 -10.037 1.00 0.00 C ATOM 1551 O LEU A 98 -9.715 -2.302 -9.244 1.00 0.00 O ATOM 1552 CB LEU A 98 -10.377 0.513 -11.208 1.00 0.00 C ATOM 1553 CG LEU A 98 -11.587 1.422 -10.983 1.00 0.00 C ATOM 1554 CD1 LEU A 98 -12.042 2.065 -12.296 1.00 0.00 C ATOM 1555 CD2 LEU A 98 -12.722 0.663 -10.293 1.00 0.00 C ATOM 0 H LEU A 98 -8.460 1.682 -10.151 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.424 0.066 -9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.644 1.058 -11.803 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.696 -0.343 -11.802 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.288 2.230 -10.316 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.903 2.706 -12.108 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.229 2.662 -12.710 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.318 1.286 -13.006 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.570 1.332 -10.145 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.028 -0.178 -10.915 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.378 0.294 -9.327 1.00 0.00 H new ATOM 1567 N LYS A 99 -8.412 -1.757 -11.010 1.00 0.00 N ATOM 1568 CA LYS A 99 -7.929 -3.112 -11.212 1.00 0.00 C ATOM 1569 C LYS A 99 -7.349 -3.644 -9.901 1.00 0.00 C ATOM 1570 O LYS A 99 -7.379 -4.848 -9.648 1.00 0.00 O ATOM 1571 CB LYS A 99 -6.945 -3.160 -12.384 1.00 0.00 C ATOM 1572 CG LYS A 99 -7.634 -3.652 -13.659 1.00 0.00 C ATOM 1573 CD LYS A 99 -7.133 -2.885 -14.883 1.00 0.00 C ATOM 1574 CE LYS A 99 -8.302 -2.407 -15.748 1.00 0.00 C ATOM 1575 NZ LYS A 99 -8.562 -3.365 -16.845 1.00 0.00 N ATOM 0 H LYS A 99 -8.042 -1.070 -11.666 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.751 -3.772 -11.487 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.526 -2.168 -12.552 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.113 -3.820 -12.138 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.445 -4.717 -13.791 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.713 -3.529 -13.564 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.540 -2.029 -14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.477 -3.524 -15.474 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.196 -2.298 -15.134 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.078 -1.424 -16.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.358 -3.025 -17.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.714 -3.449 -17.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.797 -4.296 -16.445 1.00 0.00 H new ATOM 1589 N TYR A 100 -6.835 -2.721 -9.101 1.00 0.00 N ATOM 1590 CA TYR A 100 -6.249 -3.083 -7.821 1.00 0.00 C ATOM 1591 C TYR A 100 -7.294 -3.031 -6.706 1.00 0.00 C ATOM 1592 O TYR A 100 -6.965 -3.202 -5.533 1.00 0.00 O ATOM 1593 CB TYR A 100 -5.169 -2.036 -7.541 1.00 0.00 C ATOM 1594 CG TYR A 100 -3.749 -2.506 -7.858 1.00 0.00 C ATOM 1595 CD1 TYR A 100 -3.220 -3.596 -7.198 1.00 0.00 C ATOM 1596 CD2 TYR A 100 -2.997 -1.841 -8.805 1.00 0.00 C ATOM 1597 CE1 TYR A 100 -1.882 -4.039 -7.497 1.00 0.00 C ATOM 1598 CE2 TYR A 100 -1.660 -2.284 -9.104 1.00 0.00 C ATOM 1599 CZ TYR A 100 -1.169 -3.362 -8.435 1.00 0.00 C ATOM 1600 OH TYR A 100 0.095 -3.780 -8.717 1.00 0.00 O ATOM 0 H TYR A 100 -6.812 -1.724 -9.314 1.00 0.00 H new ATOM 0 HA TYR A 100 -5.850 -4.097 -7.854 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.384 -1.142 -8.126 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -5.220 -1.749 -6.491 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.809 -4.117 -6.457 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.411 -0.988 -9.322 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -1.455 -4.890 -6.987 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.061 -1.772 -9.842 1.00 0.00 H new ATOM 0 HH TYR A 100 0.501 -3.175 -9.372 1.00 0.00 H new ATOM 1610 N VAL A 101 -8.534 -2.795 -7.110 1.00 0.00 N ATOM 1611 CA VAL A 101 -9.630 -2.719 -6.159 1.00 0.00 C ATOM 1612 C VAL A 101 -10.677 -3.778 -6.508 1.00 0.00 C ATOM 1613 O VAL A 101 -11.239 -4.418 -5.620 1.00 0.00 O ATOM 1614 CB VAL A 101 -10.201 -1.300 -6.132 1.00 0.00 C ATOM 1615 CG1 VAL A 101 -11.730 -1.325 -6.052 1.00 0.00 C ATOM 1616 CG2 VAL A 101 -9.606 -0.490 -4.978 1.00 0.00 C ATOM 0 H VAL A 101 -8.804 -2.654 -8.084 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.276 -2.932 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.921 -0.810 -7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.110 -0.304 -6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -12.131 -1.846 -6.921 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.038 -1.843 -5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.029 0.514 -4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.840 -0.978 -4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.524 -0.428 -5.096 1.00 0.00 H new ATOM 1626 N ARG A 102 -10.907 -3.932 -7.803 1.00 0.00 N ATOM 1627 CA ARG A 102 -11.877 -4.904 -8.281 1.00 0.00 C ATOM 1628 C ARG A 102 -11.457 -6.318 -7.874 1.00 0.00 C ATOM 1629 O ARG A 102 -12.237 -7.051 -7.270 1.00 0.00 O ATOM 1630 CB ARG A 102 -12.018 -4.839 -9.802 1.00 0.00 C ATOM 1631 CG ARG A 102 -13.111 -3.849 -10.211 1.00 0.00 C ATOM 1632 CD ARG A 102 -12.515 -2.647 -10.946 1.00 0.00 C ATOM 1633 NE ARG A 102 -12.917 -2.673 -12.370 1.00 0.00 N ATOM 1634 CZ ARG A 102 -12.238 -3.314 -13.330 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -11.119 -3.985 -13.025 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -12.677 -3.285 -14.596 1.00 0.00 N ATOM 0 H ARG A 102 -10.439 -3.400 -8.537 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.839 -4.663 -7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.068 -4.541 -10.246 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.255 -5.829 -10.191 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.837 -4.348 -10.852 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.648 -3.509 -9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.854 -1.721 -10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.428 -2.664 -10.866 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.764 -2.171 -12.637 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.784 -4.008 -12.062 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -10.602 -4.473 -13.756 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.529 -2.774 -14.829 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.159 -3.773 -15.327 1.00 0.00 H new ATOM 1650 N GLY A 103 -10.224 -6.657 -8.222 1.00 0.00 N ATOM 1651 CA GLY A 103 -9.690 -7.970 -7.902 1.00 0.00 C ATOM 1652 C GLY A 103 -9.726 -8.222 -6.393 1.00 0.00 C ATOM 1653 O GLY A 103 -9.579 -9.359 -5.946 1.00 0.00 O ATOM 0 H GLY A 103 -9.580 -6.045 -8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.268 -8.737 -8.417 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.665 -8.048 -8.263 1.00 0.00 H new ATOM 1657 N LEU A 104 -9.922 -7.144 -5.649 1.00 0.00 N ATOM 1658 CA LEU A 104 -9.980 -7.234 -4.200 1.00 0.00 C ATOM 1659 C LEU A 104 -11.440 -7.339 -3.757 1.00 0.00 C ATOM 1660 O LEU A 104 -11.723 -7.744 -2.630 1.00 0.00 O ATOM 1661 CB LEU A 104 -9.226 -6.066 -3.561 1.00 0.00 C ATOM 1662 CG LEU A 104 -9.175 -6.057 -2.032 1.00 0.00 C ATOM 1663 CD1 LEU A 104 -10.408 -5.364 -1.446 1.00 0.00 C ATOM 1664 CD2 LEU A 104 -8.999 -7.473 -1.480 1.00 0.00 C ATOM 0 H LEU A 104 -10.043 -6.203 -6.023 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.477 -8.137 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.204 -6.069 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.686 -5.136 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.303 -5.480 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.347 -5.371 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.449 -4.334 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.307 -5.893 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.966 -7.438 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.837 -8.094 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.069 -7.898 -1.858 1.00 0.00 H new ATOM 1676 N LEU A 105 -12.330 -6.970 -4.667 1.00 0.00 N ATOM 1677 CA LEU A 105 -13.755 -7.019 -4.384 1.00 0.00 C ATOM 1678 C LEU A 105 -14.282 -8.423 -4.685 1.00 0.00 C ATOM 1679 O LEU A 105 -15.211 -8.894 -4.031 1.00 0.00 O ATOM 1680 CB LEU A 105 -14.489 -5.911 -5.141 1.00 0.00 C ATOM 1681 CG LEU A 105 -14.113 -4.477 -4.762 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -14.182 -3.552 -5.979 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -14.979 -3.970 -3.606 1.00 0.00 C ATOM 0 H LEU A 105 -12.092 -6.636 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.941 -6.828 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.306 -6.044 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.560 -6.038 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 105 -13.080 -4.475 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -13.910 -2.539 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -13.489 -3.904 -6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.196 -3.553 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -14.691 -2.949 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -16.028 -3.990 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.835 -4.610 -2.736 1.00 0.00 H new ATOM 1695 N GLN A 106 -13.665 -9.053 -5.675 1.00 0.00 N ATOM 1696 CA GLN A 106 -14.062 -10.394 -6.070 1.00 0.00 C ATOM 1697 C GLN A 106 -14.047 -11.330 -4.860 1.00 0.00 C ATOM 1698 O GLN A 106 -14.927 -12.178 -4.716 1.00 0.00 O ATOM 1699 CB GLN A 106 -13.159 -10.925 -7.185 1.00 0.00 C ATOM 1700 CG GLN A 106 -13.965 -11.204 -8.455 1.00 0.00 C ATOM 1701 CD GLN A 106 -14.004 -12.703 -8.762 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -14.118 -13.540 -7.882 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -13.904 -12.993 -10.056 1.00 0.00 N ATOM 0 H GLN A 106 -12.894 -8.660 -6.215 1.00 0.00 H new ATOM 0 HA GLN A 106 -15.079 -10.352 -6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.375 -10.199 -7.400 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -12.666 -11.839 -6.854 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -14.981 -10.827 -8.335 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.523 -10.668 -9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -13.811 -12.243 -10.741 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -13.920 -13.965 -10.363 1.00 0.00 H new ATOM 1712 N THR A 107 -13.039 -11.145 -4.021 1.00 0.00 N ATOM 1713 CA THR A 107 -12.898 -11.962 -2.828 1.00 0.00 C ATOM 1714 C THR A 107 -13.396 -11.202 -1.598 1.00 0.00 C ATOM 1715 O THR A 107 -13.671 -11.802 -0.561 1.00 0.00 O ATOM 1716 CB THR A 107 -11.435 -12.397 -2.723 1.00 0.00 C ATOM 1717 OG1 THR A 107 -11.296 -12.825 -1.370 1.00 0.00 O ATOM 1718 CG2 THR A 107 -10.464 -11.220 -2.842 1.00 0.00 C ATOM 0 H THR A 107 -12.311 -10.441 -4.144 1.00 0.00 H new ATOM 0 HA THR A 107 -13.515 -12.858 -2.888 1.00 0.00 H new ATOM 0 HB THR A 107 -11.217 -13.128 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.376 -13.126 -1.215 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.440 -11.584 -2.761 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.600 -10.732 -3.807 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.659 -10.505 -2.043 1.00 0.00 H new ATOM 1726 N GLU A 108 -13.496 -9.890 -1.754 1.00 0.00 N ATOM 1727 CA GLU A 108 -13.956 -9.039 -0.669 1.00 0.00 C ATOM 1728 C GLU A 108 -14.928 -7.982 -1.198 1.00 0.00 C ATOM 1729 O GLU A 108 -14.636 -6.789 -1.156 1.00 0.00 O ATOM 1730 CB GLU A 108 -12.776 -8.386 0.054 1.00 0.00 C ATOM 1731 CG GLU A 108 -11.664 -9.402 0.316 1.00 0.00 C ATOM 1732 CD GLU A 108 -11.961 -10.230 1.569 1.00 0.00 C ATOM 1733 OE1 GLU A 108 -13.061 -10.822 1.610 1.00 0.00 O ATOM 1734 OE2 GLU A 108 -11.083 -10.250 2.457 1.00 0.00 O ATOM 0 H GLU A 108 -13.266 -9.395 -2.616 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.484 -9.660 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.388 -7.563 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.114 -7.960 0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.560 -10.063 -0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.713 -8.883 0.436 1.00 0.00 H new ATOM 1741 N PRO A 109 -16.094 -8.474 -1.697 1.00 0.00 N ATOM 1742 CA PRO A 109 -17.111 -7.585 -2.234 1.00 0.00 C ATOM 1743 C PRO A 109 -17.856 -6.862 -1.110 1.00 0.00 C ATOM 1744 O PRO A 109 -18.256 -5.710 -1.266 1.00 0.00 O ATOM 1745 CB PRO A 109 -18.015 -8.479 -3.067 1.00 0.00 C ATOM 1746 CG PRO A 109 -17.747 -9.899 -2.594 1.00 0.00 C ATOM 1747 CD PRO A 109 -16.474 -9.882 -1.765 1.00 0.00 C ATOM 0 HA PRO A 109 -16.691 -6.786 -2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -19.063 -8.212 -2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -17.797 -8.374 -4.130 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.584 -10.268 -2.001 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -17.639 -10.571 -3.445 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.644 -10.295 -0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -15.691 -10.481 -2.230 1.00 0.00 H new ATOM 1755 N GLN A 110 -18.021 -7.570 -0.003 1.00 0.00 N ATOM 1756 CA GLN A 110 -18.711 -7.011 1.147 1.00 0.00 C ATOM 1757 C GLN A 110 -17.826 -5.978 1.847 1.00 0.00 C ATOM 1758 O GLN A 110 -18.286 -5.262 2.736 1.00 0.00 O ATOM 1759 CB GLN A 110 -19.142 -8.113 2.118 1.00 0.00 C ATOM 1760 CG GLN A 110 -17.989 -8.509 3.043 1.00 0.00 C ATOM 1761 CD GLN A 110 -18.417 -9.614 4.011 1.00 0.00 C ATOM 1762 OE1 GLN A 110 -19.498 -10.171 3.918 1.00 0.00 O ATOM 1763 NE2 GLN A 110 -17.512 -9.897 4.943 1.00 0.00 N ATOM 0 H GLN A 110 -17.689 -8.526 0.122 1.00 0.00 H new ATOM 0 HA GLN A 110 -19.613 -6.509 0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -19.988 -7.769 2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -19.480 -8.985 1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -17.142 -8.850 2.448 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -17.654 -7.638 3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.626 -9.392 4.964 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.704 -10.619 5.637 1.00 0.00 H new ATOM 1772 N ASN A 111 -16.573 -5.933 1.419 1.00 0.00 N ATOM 1773 CA ASN A 111 -15.619 -5.000 1.995 1.00 0.00 C ATOM 1774 C ASN A 111 -15.957 -3.582 1.529 1.00 0.00 C ATOM 1775 O ASN A 111 -15.843 -3.269 0.345 1.00 0.00 O ATOM 1776 CB ASN A 111 -14.194 -5.320 1.540 1.00 0.00 C ATOM 1777 CG ASN A 111 -13.197 -4.312 2.114 1.00 0.00 C ATOM 1778 OD1 ASN A 111 -13.431 -3.677 3.129 1.00 0.00 O ATOM 1779 ND2 ASN A 111 -12.074 -4.201 1.410 1.00 0.00 N ATOM 0 H ASN A 111 -16.196 -6.527 0.680 1.00 0.00 H new ATOM 0 HA ASN A 111 -15.678 -5.082 3.080 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -13.924 -6.327 1.859 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.144 -5.307 0.451 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.345 -3.554 1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.942 -4.763 0.569 1.00 0.00 H new ATOM 1786 N ASN A 112 -16.364 -2.761 2.486 1.00 0.00 N ATOM 1787 CA ASN A 112 -16.719 -1.383 2.189 1.00 0.00 C ATOM 1788 C ASN A 112 -15.447 -0.588 1.888 1.00 0.00 C ATOM 1789 O ASN A 112 -15.446 0.282 1.019 1.00 0.00 O ATOM 1790 CB ASN A 112 -17.417 -0.725 3.381 1.00 0.00 C ATOM 1791 CG ASN A 112 -18.335 -1.720 4.096 1.00 0.00 C ATOM 1792 OD1 ASN A 112 -17.981 -2.322 5.097 1.00 0.00 O ATOM 1793 ND2 ASN A 112 -19.529 -1.857 3.529 1.00 0.00 N ATOM 0 H ASN A 112 -16.456 -3.023 3.467 1.00 0.00 H new ATOM 0 HA ASN A 112 -17.393 -1.385 1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -16.671 -0.346 4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -17.999 0.131 3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -20.214 -2.497 3.931 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -19.760 -1.322 2.692 1.00 0.00 H new ATOM 1800 N GLN A 113 -14.394 -0.914 2.624 1.00 0.00 N ATOM 1801 CA GLN A 113 -13.119 -0.240 2.447 1.00 0.00 C ATOM 1802 C GLN A 113 -12.703 -0.272 0.975 1.00 0.00 C ATOM 1803 O GLN A 113 -11.998 0.621 0.507 1.00 0.00 O ATOM 1804 CB GLN A 113 -12.041 -0.864 3.335 1.00 0.00 C ATOM 1805 CG GLN A 113 -12.348 -0.631 4.816 1.00 0.00 C ATOM 1806 CD GLN A 113 -11.157 0.015 5.526 1.00 0.00 C ATOM 1807 OE1 GLN A 113 -10.862 1.188 5.358 1.00 0.00 O ATOM 1808 NE2 GLN A 113 -10.492 -0.812 6.328 1.00 0.00 N ATOM 0 H GLN A 113 -14.398 -1.636 3.344 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.235 0.801 2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.976 -1.934 3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.069 -0.435 3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.225 0.009 4.913 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.591 -1.580 5.295 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.793 -1.782 6.423 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -9.682 -0.476 6.848 1.00 0.00 H new ATOM 1817 N ALA A 114 -13.157 -1.308 0.286 1.00 0.00 N ATOM 1818 CA ALA A 114 -12.841 -1.467 -1.123 1.00 0.00 C ATOM 1819 C ALA A 114 -13.983 -0.895 -1.966 1.00 0.00 C ATOM 1820 O ALA A 114 -13.766 -0.013 -2.795 1.00 0.00 O ATOM 1821 CB ALA A 114 -12.577 -2.944 -1.423 1.00 0.00 C ATOM 0 H ALA A 114 -13.742 -2.046 0.678 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.936 -0.916 -1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.340 -3.064 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.738 -3.293 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.465 -3.529 -1.182 1.00 0.00 H new ATOM 1827 N LYS A 115 -15.174 -1.422 -1.724 1.00 0.00 N ATOM 1828 CA LYS A 115 -16.351 -0.976 -2.450 1.00 0.00 C ATOM 1829 C LYS A 115 -16.259 0.534 -2.682 1.00 0.00 C ATOM 1830 O LYS A 115 -16.306 0.996 -3.821 1.00 0.00 O ATOM 1831 CB LYS A 115 -17.626 -1.410 -1.725 1.00 0.00 C ATOM 1832 CG LYS A 115 -18.086 -2.788 -2.202 1.00 0.00 C ATOM 1833 CD LYS A 115 -19.527 -3.066 -1.769 1.00 0.00 C ATOM 1834 CE LYS A 115 -20.378 -3.519 -2.957 1.00 0.00 C ATOM 1835 NZ LYS A 115 -21.682 -4.040 -2.492 1.00 0.00 N ATOM 0 H LYS A 115 -15.349 -2.154 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.395 -1.449 -3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.447 -1.434 -0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.415 -0.679 -1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.012 -2.844 -3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.426 -3.556 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -19.537 -3.834 -0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -19.959 -2.167 -1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.536 -2.683 -3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -19.850 -4.291 -3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.247 -4.343 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.526 -4.851 -1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -22.191 -3.293 -1.978 1.00 0.00 H new ATOM 1849 N GLU A 116 -16.130 1.263 -1.582 1.00 0.00 N ATOM 1850 CA GLU A 116 -16.032 2.710 -1.651 1.00 0.00 C ATOM 1851 C GLU A 116 -14.999 3.123 -2.702 1.00 0.00 C ATOM 1852 O GLU A 116 -15.346 3.740 -3.708 1.00 0.00 O ATOM 1853 CB GLU A 116 -15.687 3.302 -0.283 1.00 0.00 C ATOM 1854 CG GLU A 116 -16.935 3.859 0.404 1.00 0.00 C ATOM 1855 CD GLU A 116 -16.731 5.319 0.815 1.00 0.00 C ATOM 1856 OE1 GLU A 116 -15.558 5.684 1.047 1.00 0.00 O ATOM 1857 OE2 GLU A 116 -17.752 6.035 0.889 1.00 0.00 O ATOM 0 H GLU A 116 -16.091 0.877 -0.638 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.003 3.106 -1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.233 2.535 0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -14.948 4.095 -0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.789 3.783 -0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.168 3.259 1.284 1.00 0.00 H new ATOM 1864 N LEU A 117 -13.752 2.766 -2.434 1.00 0.00 N ATOM 1865 CA LEU A 117 -12.667 3.091 -3.344 1.00 0.00 C ATOM 1866 C LEU A 117 -13.144 2.901 -4.786 1.00 0.00 C ATOM 1867 O LEU A 117 -13.152 3.848 -5.570 1.00 0.00 O ATOM 1868 CB LEU A 117 -11.416 2.281 -2.997 1.00 0.00 C ATOM 1869 CG LEU A 117 -10.076 2.972 -3.260 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -10.009 4.325 -2.548 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -8.907 2.063 -2.877 1.00 0.00 C ATOM 0 H LEU A 117 -13.468 2.254 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.380 4.137 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.463 2.012 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.440 1.351 -3.565 1.00 0.00 H new ATOM 0 HG LEU A 117 -9.995 3.167 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -9.047 4.796 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -10.811 4.967 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -10.121 4.177 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.966 2.578 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -8.971 1.815 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.950 1.147 -3.467 1.00 0.00 H new ATOM 1883 N GLU A 118 -13.528 1.670 -5.090 1.00 0.00 N ATOM 1884 CA GLU A 118 -14.004 1.345 -6.424 1.00 0.00 C ATOM 1885 C GLU A 118 -14.857 2.488 -6.978 1.00 0.00 C ATOM 1886 O GLU A 118 -14.676 2.905 -8.120 1.00 0.00 O ATOM 1887 CB GLU A 118 -14.785 0.028 -6.421 1.00 0.00 C ATOM 1888 CG GLU A 118 -14.826 -0.588 -7.821 1.00 0.00 C ATOM 1889 CD GLU A 118 -15.906 -1.667 -7.913 1.00 0.00 C ATOM 1890 OE1 GLU A 118 -16.975 -1.456 -7.299 1.00 0.00 O ATOM 1891 OE2 GLU A 118 -15.640 -2.681 -8.595 1.00 0.00 O ATOM 0 H GLU A 118 -13.519 0.887 -4.437 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.140 1.216 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -14.322 -0.672 -5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -15.801 0.204 -6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -15.020 0.190 -8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -13.854 -1.019 -8.061 1.00 0.00 H new ATOM 1898 N ARG A 119 -15.770 2.960 -6.142 1.00 0.00 N ATOM 1899 CA ARG A 119 -16.652 4.046 -6.533 1.00 0.00 C ATOM 1900 C ARG A 119 -15.901 5.379 -6.499 1.00 0.00 C ATOM 1901 O ARG A 119 -16.064 6.211 -7.390 1.00 0.00 O ATOM 1902 CB ARG A 119 -17.867 4.130 -5.607 1.00 0.00 C ATOM 1903 CG ARG A 119 -18.308 5.582 -5.412 1.00 0.00 C ATOM 1904 CD ARG A 119 -18.794 6.189 -6.731 1.00 0.00 C ATOM 1905 NE ARG A 119 -20.271 6.133 -6.801 1.00 0.00 N ATOM 1906 CZ ARG A 119 -21.000 6.726 -7.755 1.00 0.00 C ATOM 1907 NH1 ARG A 119 -20.394 7.424 -8.725 1.00 0.00 N ATOM 1908 NH2 ARG A 119 -22.336 6.621 -7.740 1.00 0.00 N ATOM 0 H ARG A 119 -15.918 2.610 -5.195 1.00 0.00 H new ATOM 0 HA ARG A 119 -16.996 3.844 -7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -18.689 3.550 -6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -17.624 3.687 -4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -19.106 5.627 -4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -17.477 6.169 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -18.457 7.223 -6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -18.361 5.647 -7.572 1.00 0.00 H new ATOM 0 HE ARG A 119 -20.765 5.610 -6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -19.377 7.504 -8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -20.949 7.876 -9.452 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -22.798 6.089 -7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -22.891 7.073 -8.467 1.00 0.00 H new ATOM 1922 N LEU A 120 -15.092 5.539 -5.461 1.00 0.00 N ATOM 1923 CA LEU A 120 -14.315 6.755 -5.300 1.00 0.00 C ATOM 1924 C LEU A 120 -13.553 7.046 -6.595 1.00 0.00 C ATOM 1925 O LEU A 120 -13.606 8.160 -7.114 1.00 0.00 O ATOM 1926 CB LEU A 120 -13.415 6.657 -4.066 1.00 0.00 C ATOM 1927 CG LEU A 120 -14.132 6.490 -2.725 1.00 0.00 C ATOM 1928 CD1 LEU A 120 -13.161 6.021 -1.640 1.00 0.00 C ATOM 1929 CD2 LEU A 120 -14.857 7.778 -2.327 1.00 0.00 C ATOM 0 H LEU A 120 -14.959 4.847 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 120 -14.973 7.605 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.738 5.814 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.800 7.555 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 120 -14.890 5.715 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.696 5.910 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.730 5.062 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.365 6.756 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -15.358 7.632 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -14.135 8.590 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -15.595 8.030 -3.089 1.00 0.00 H new ATOM 1941 N ILE A 121 -12.864 6.024 -7.080 1.00 0.00 N ATOM 1942 CA ILE A 121 -12.093 6.155 -8.305 1.00 0.00 C ATOM 1943 C ILE A 121 -13.039 6.470 -9.466 1.00 0.00 C ATOM 1944 O ILE A 121 -12.615 7.009 -10.487 1.00 0.00 O ATOM 1945 CB ILE A 121 -11.233 4.910 -8.533 1.00 0.00 C ATOM 1946 CG1 ILE A 121 -10.249 4.705 -7.379 1.00 0.00 C ATOM 1947 CG2 ILE A 121 -10.523 4.974 -9.886 1.00 0.00 C ATOM 1948 CD1 ILE A 121 -10.345 3.282 -6.822 1.00 0.00 C ATOM 0 H ILE A 121 -12.823 5.101 -6.647 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.393 6.987 -8.228 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.890 4.041 -8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.233 4.896 -7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.457 5.424 -6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.919 4.077 -10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -11.264 5.037 -10.683 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.880 5.853 -9.918 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.635 3.163 -6.003 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -11.356 3.102 -6.455 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.112 2.566 -7.610 1.00 0.00 H new ATOM 1960 N ASP A 122 -14.301 6.119 -9.271 1.00 0.00 N ATOM 1961 CA ASP A 122 -15.310 6.359 -10.289 1.00 0.00 C ATOM 1962 C ASP A 122 -15.541 7.865 -10.429 1.00 0.00 C ATOM 1963 O ASP A 122 -15.542 8.395 -11.538 1.00 0.00 O ATOM 1964 CB ASP A 122 -16.642 5.709 -9.908 1.00 0.00 C ATOM 1965 CG ASP A 122 -17.396 5.052 -11.066 1.00 0.00 C ATOM 1966 OD1 ASP A 122 -17.823 5.808 -11.966 1.00 0.00 O ATOM 1967 OD2 ASP A 122 -17.529 3.811 -11.025 1.00 0.00 O ATOM 0 H ASP A 122 -14.648 5.670 -8.423 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.953 5.929 -11.225 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -16.456 4.956 -9.142 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -17.284 6.467 -9.460 1.00 0.00 H new ATOM 1972 N LYS A 123 -15.730 8.510 -9.288 1.00 0.00 N ATOM 1973 CA LYS A 123 -15.962 9.944 -9.269 1.00 0.00 C ATOM 1974 C LYS A 123 -14.652 10.672 -9.585 1.00 0.00 C ATOM 1975 O LYS A 123 -14.664 11.742 -10.192 1.00 0.00 O ATOM 1976 CB LYS A 123 -16.596 10.368 -7.943 1.00 0.00 C ATOM 1977 CG LYS A 123 -18.122 10.399 -8.051 1.00 0.00 C ATOM 1978 CD LYS A 123 -18.773 10.089 -6.701 1.00 0.00 C ATOM 1979 CE LYS A 123 -18.938 11.360 -5.867 1.00 0.00 C ATOM 1980 NZ LYS A 123 -18.381 11.166 -4.510 1.00 0.00 N ATOM 0 H LYS A 123 -15.727 8.066 -8.370 1.00 0.00 H new ATOM 0 HA LYS A 123 -16.678 10.224 -10.041 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -16.297 9.676 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.228 11.354 -7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -18.446 11.380 -8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -18.453 9.673 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -19.747 9.626 -6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -18.163 9.369 -6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -18.433 12.192 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -19.994 11.623 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -18.501 12.039 -3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -18.881 10.385 -4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -17.369 10.937 -4.580 1.00 0.00 H new ATOM 1994 N ALA A 124 -13.556 10.062 -9.159 1.00 0.00 N ATOM 1995 CA ALA A 124 -12.243 10.638 -9.389 1.00 0.00 C ATOM 1996 C ALA A 124 -12.110 11.023 -10.863 1.00 0.00 C ATOM 1997 O ALA A 124 -12.036 12.205 -11.196 1.00 0.00 O ATOM 1998 CB ALA A 124 -11.165 9.646 -8.946 1.00 0.00 C ATOM 0 H ALA A 124 -13.551 9.175 -8.656 1.00 0.00 H new ATOM 0 HA ALA A 124 -12.114 11.545 -8.799 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -10.179 10.078 -9.119 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -11.285 9.428 -7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -11.262 8.724 -9.519 1.00 0.00 H new ATOM 2004 N MET A 125 -12.083 10.002 -11.708 1.00 0.00 N ATOM 2005 CA MET A 125 -11.960 10.219 -13.140 1.00 0.00 C ATOM 2006 C MET A 125 -12.792 11.423 -13.585 1.00 0.00 C ATOM 2007 O MET A 125 -12.266 12.355 -14.191 1.00 0.00 O ATOM 2008 CB MET A 125 -12.429 8.969 -13.887 1.00 0.00 C ATOM 2009 CG MET A 125 -11.721 7.718 -13.362 1.00 0.00 C ATOM 2010 SD MET A 125 -10.958 6.836 -14.713 1.00 0.00 S ATOM 2011 CE MET A 125 -10.924 5.188 -14.027 1.00 0.00 C ATOM 0 H MET A 125 -12.144 9.023 -11.429 1.00 0.00 H new ATOM 0 HA MET A 125 -10.914 10.420 -13.370 1.00 0.00 H new ATOM 0 HB2 MET A 125 -13.507 8.856 -13.773 1.00 0.00 H new ATOM 0 HB3 MET A 125 -12.232 9.083 -14.953 1.00 0.00 H new ATOM 0 HG2 MET A 125 -10.966 7.999 -12.628 1.00 0.00 H new ATOM 0 HG3 MET A 125 -12.436 7.072 -12.853 1.00 0.00 H new ATOM 0 HE1 MET A 125 -9.922 4.771 -14.132 1.00 0.00 H new ATOM 0 HE2 MET A 125 -11.192 5.228 -12.971 1.00 0.00 H new ATOM 0 HE3 MET A 125 -11.637 4.558 -14.559 1.00 0.00 H new ATOM 2021 N LYS A 126 -14.077 11.363 -13.268 1.00 0.00 N ATOM 2022 CA LYS A 126 -14.987 12.437 -13.628 1.00 0.00 C ATOM 2023 C LYS A 126 -14.440 13.763 -13.097 1.00 0.00 C ATOM 2024 O LYS A 126 -14.448 14.770 -13.803 1.00 0.00 O ATOM 2025 CB LYS A 126 -16.406 12.121 -13.151 1.00 0.00 C ATOM 2026 CG LYS A 126 -17.370 12.007 -14.333 1.00 0.00 C ATOM 2027 CD LYS A 126 -18.155 13.306 -14.527 1.00 0.00 C ATOM 2028 CE LYS A 126 -19.662 13.041 -14.525 1.00 0.00 C ATOM 2029 NZ LYS A 126 -20.409 14.296 -14.282 1.00 0.00 N ATOM 0 H LYS A 126 -14.509 10.588 -12.766 1.00 0.00 H new ATOM 0 HA LYS A 126 -15.055 12.531 -14.712 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.404 11.188 -12.587 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.748 12.903 -12.473 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -16.813 11.776 -15.241 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.062 11.182 -14.165 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -17.905 14.009 -13.732 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -17.865 13.773 -15.468 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -19.963 12.611 -15.480 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -19.908 12.310 -13.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -21.430 14.098 -14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -20.134 14.690 -13.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -20.188 14.982 -15.032 1.00 0.00 H new ATOM 2043 N LYS A 127 -13.980 13.721 -11.855 1.00 0.00 N ATOM 2044 CA LYS A 127 -13.430 14.907 -11.221 1.00 0.00 C ATOM 2045 C LYS A 127 -12.217 15.391 -12.017 1.00 0.00 C ATOM 2046 O LYS A 127 -12.244 16.473 -12.601 1.00 0.00 O ATOM 2047 CB LYS A 127 -13.130 14.634 -9.745 1.00 0.00 C ATOM 2048 CG LYS A 127 -14.411 14.667 -8.910 1.00 0.00 C ATOM 2049 CD LYS A 127 -14.370 13.610 -7.803 1.00 0.00 C ATOM 2050 CE LYS A 127 -15.198 14.051 -6.594 1.00 0.00 C ATOM 2051 NZ LYS A 127 -14.693 13.410 -5.359 1.00 0.00 N ATOM 0 H LYS A 127 -13.977 12.885 -11.271 1.00 0.00 H new ATOM 0 HA LYS A 127 -14.159 15.717 -11.230 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -12.649 13.661 -9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.428 15.378 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -14.537 15.656 -8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -15.274 14.492 -9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.752 12.663 -8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -13.338 13.437 -7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -15.155 15.135 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -16.244 13.787 -6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -15.266 13.720 -4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -14.757 12.376 -5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.701 13.683 -5.207 1.00 0.00 H new