USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 597 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 44 ASN : amide:sc= 0.951 K(o=2.2,f=-6.4!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -163:sc= 1.29 (180deg=0) USER MOD Set 2.1: A 34 SER OG : rot -74:sc= 1.25 USER MOD Set 2.2: A 37 GLN : amide:sc= 0.082 K(o=1.3,f=-8.6!) USER MOD Set 3.1: A 3 MET CE :methyl -161:sc= -0.0706 (180deg=-0.81) USER MOD Set 3.2: A 5 HIS : no HD1:sc= -0.626 X(o=-0.7,f=-0.68) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 1.3 (180deg=1.11) USER MOD Single : A 2 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.17) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.396 K(o=0.4,f=-4.4!) USER MOD Single : A 11 GLN : amide:sc= -2.14! K(o=-2.1!,f=-0.0059) USER MOD Single : A 13 SER OG : rot 180:sc= -0.132 USER MOD Single : A 14 HIS : no HE2:sc= -1.88! X(o=-1.9!,f=-1.7) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -4.09! C(o=-4.1!,f=-5.5!) USER MOD Single : A 24 TYR OH : rot 180:sc=-0.00967 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0578 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 1.48 K(o=1.5,f=-1.3) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 40 GLN : amide:sc= -2.76 K(o=-2.8,f=-1.6!) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0252) USER MOD Single : A 51 MET CE :methyl 161:sc= -0.213 (180deg=-0.995) USER MOD Single : A 52 THR OG1 : rot 2:sc= 0.874 USER MOD Single : A 53 SER OG : rot -165:sc= 1.24 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.458 K(o=-0.46,f=-2.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -146:sc= -0.144 (180deg=-1.45!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 154:sc= -0.69 (180deg=-1.74) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 167:sc= -0.0705 (180deg=-0.372) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.283 -6.235 -2.655 1.00 0.00 N ATOM 2 CA GLY A 1 17.506 -5.003 -1.923 1.00 0.00 C ATOM 3 C GLY A 1 16.384 -4.717 -0.955 1.00 0.00 C ATOM 4 O GLY A 1 15.610 -5.610 -0.621 1.00 0.00 O ATOM 0 H1 GLY A 1 18.171 -6.774 -2.705 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.560 -6.802 -2.168 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.958 -6.013 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.448 -5.069 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.601 -4.175 -2.625 1.00 0.00 H new ATOM 10 N HIS A 2 16.271 -3.478 -0.535 1.00 0.00 N ATOM 11 CA HIS A 2 15.302 -3.069 0.488 1.00 0.00 C ATOM 12 C HIS A 2 14.258 -2.076 -0.058 1.00 0.00 C ATOM 13 O HIS A 2 13.440 -1.561 0.701 1.00 0.00 O ATOM 14 CB HIS A 2 16.040 -2.436 1.692 1.00 0.00 C ATOM 15 CG HIS A 2 16.921 -1.282 1.303 1.00 0.00 C ATOM 16 ND1 HIS A 2 16.473 0.008 1.140 1.00 0.00 N ATOM 17 CD2 HIS A 2 18.229 -1.267 0.960 1.00 0.00 C ATOM 18 CE1 HIS A 2 17.488 0.741 0.698 1.00 0.00 C ATOM 19 NE2 HIS A 2 18.585 0.014 0.574 1.00 0.00 N ATOM 0 H HIS A 2 16.846 -2.713 -0.887 1.00 0.00 H new ATOM 0 HA HIS A 2 14.770 -3.966 0.805 1.00 0.00 H new ATOM 0 HB2 HIS A 2 15.306 -2.095 2.422 1.00 0.00 H new ATOM 0 HB3 HIS A 2 16.646 -3.199 2.181 1.00 0.00 H new ATOM 0 HD2 HIS A 2 18.891 -2.120 0.983 1.00 0.00 H new ATOM 0 HE1 HIS A 2 17.425 1.795 0.469 1.00 0.00 H new ATOM 0 HE2 HIS A 2 19.502 0.331 0.260 1.00 0.00 H new ATOM 27 N MET A 3 14.321 -1.782 -1.355 1.00 0.00 N ATOM 28 CA MET A 3 13.344 -0.881 -1.990 1.00 0.00 C ATOM 29 C MET A 3 11.965 -1.536 -2.017 1.00 0.00 C ATOM 30 O MET A 3 11.852 -2.728 -1.798 1.00 0.00 O ATOM 31 CB MET A 3 13.787 -0.507 -3.402 1.00 0.00 C ATOM 32 CG MET A 3 15.011 0.396 -3.469 1.00 0.00 C ATOM 33 SD MET A 3 14.710 2.053 -2.839 1.00 0.00 S ATOM 34 CE MET A 3 13.583 2.678 -4.082 1.00 0.00 C ATOM 0 H MET A 3 15.031 -2.149 -1.989 1.00 0.00 H new ATOM 0 HA MET A 3 13.286 0.035 -1.401 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.997 -1.422 -3.956 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.959 -0.011 -3.908 1.00 0.00 H new ATOM 0 HG2 MET A 3 15.821 -0.060 -2.900 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.347 0.464 -4.504 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.562 3.767 -4.040 1.00 0.00 H new ATOM 0 HE2 MET A 3 13.917 2.359 -5.069 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.582 2.289 -3.895 1.00 0.00 H new ATOM 44 N VAL A 4 10.925 -0.785 -2.354 1.00 0.00 N ATOM 45 CA VAL A 4 9.557 -1.319 -2.253 1.00 0.00 C ATOM 46 C VAL A 4 9.309 -2.452 -3.226 1.00 0.00 C ATOM 47 O VAL A 4 8.643 -3.417 -2.912 1.00 0.00 O ATOM 48 CB VAL A 4 8.461 -0.235 -2.396 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.696 0.859 -1.421 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.369 0.327 -3.785 1.00 0.00 C ATOM 0 H VAL A 4 10.989 0.175 -2.693 1.00 0.00 H new ATOM 0 HA VAL A 4 9.484 -1.715 -1.240 1.00 0.00 H new ATOM 0 HB VAL A 4 7.508 -0.722 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.920 1.616 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.670 0.456 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.671 1.309 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.583 1.081 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.321 0.782 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.136 -0.474 -4.487 1.00 0.00 H new ATOM 60 N HIS A 5 9.909 -2.357 -4.382 1.00 0.00 N ATOM 61 CA HIS A 5 9.785 -3.376 -5.416 1.00 0.00 C ATOM 62 C HIS A 5 10.591 -4.636 -5.040 1.00 0.00 C ATOM 63 O HIS A 5 10.470 -5.693 -5.659 1.00 0.00 O ATOM 64 CB HIS A 5 10.197 -2.791 -6.784 1.00 0.00 C ATOM 65 CG HIS A 5 11.493 -2.033 -6.773 1.00 0.00 C ATOM 66 ND1 HIS A 5 11.573 -0.666 -6.596 1.00 0.00 N ATOM 67 CD2 HIS A 5 12.765 -2.464 -6.888 1.00 0.00 C ATOM 68 CE1 HIS A 5 12.847 -0.322 -6.600 1.00 0.00 C ATOM 69 NE2 HIS A 5 13.624 -1.375 -6.779 1.00 0.00 N ATOM 0 H HIS A 5 10.503 -1.570 -4.644 1.00 0.00 H new ATOM 0 HA HIS A 5 8.743 -3.687 -5.496 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.273 -3.605 -7.505 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.406 -2.128 -7.134 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.068 -3.489 -7.040 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.207 0.688 -6.473 1.00 0.00 H new ATOM 0 HE2 HIS A 5 14.643 -1.387 -6.827 1.00 0.00 H new ATOM 77 N GLU A 6 11.372 -4.502 -3.991 1.00 0.00 N ATOM 78 CA GLU A 6 12.174 -5.570 -3.450 1.00 0.00 C ATOM 79 C GLU A 6 11.443 -6.190 -2.245 1.00 0.00 C ATOM 80 O GLU A 6 11.831 -7.242 -1.740 1.00 0.00 O ATOM 81 CB GLU A 6 13.519 -5.010 -3.001 1.00 0.00 C ATOM 82 CG GLU A 6 14.334 -4.339 -4.101 1.00 0.00 C ATOM 83 CD GLU A 6 14.836 -5.312 -5.121 1.00 0.00 C ATOM 84 OE1 GLU A 6 15.731 -6.105 -4.795 1.00 0.00 O ATOM 85 OE2 GLU A 6 14.343 -5.325 -6.253 1.00 0.00 O ATOM 0 H GLU A 6 11.467 -3.624 -3.480 1.00 0.00 H new ATOM 0 HA GLU A 6 12.335 -6.334 -4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.347 -4.287 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.110 -5.821 -2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.720 -3.586 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.181 -3.818 -3.654 1.00 0.00 H new ATOM 92 N TRP A 7 10.380 -5.513 -1.789 1.00 0.00 N ATOM 93 CA TRP A 7 9.561 -6.000 -0.683 1.00 0.00 C ATOM 94 C TRP A 7 8.734 -7.171 -1.155 1.00 0.00 C ATOM 95 O TRP A 7 8.382 -7.246 -2.336 1.00 0.00 O ATOM 96 CB TRP A 7 8.609 -4.911 -0.139 1.00 0.00 C ATOM 97 CG TRP A 7 9.268 -3.734 0.518 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.555 -3.633 0.943 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.635 -2.506 0.881 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.770 -2.406 1.500 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.610 -1.700 1.486 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.341 -2.006 0.738 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.338 -0.425 1.954 1.00 0.00 C ATOM 104 CZ3 TRP A 7 7.066 -0.737 1.205 1.00 0.00 C ATOM 105 CH2 TRP A 7 8.062 0.042 1.809 1.00 0.00 C ATOM 0 H TRP A 7 10.070 -4.621 -2.176 1.00 0.00 H new ATOM 0 HA TRP A 7 10.236 -6.294 0.121 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.996 -4.546 -0.963 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.933 -5.373 0.581 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.299 -4.411 0.853 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.661 -2.072 1.868 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.569 -2.600 0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 10.106 0.178 2.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 6.068 -0.338 1.103 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.816 1.031 2.167 1.00 0.00 H new ATOM 116 N SER A 8 8.420 -8.066 -0.259 1.00 0.00 N ATOM 117 CA SER A 8 7.665 -9.224 -0.600 1.00 0.00 C ATOM 118 C SER A 8 6.243 -9.074 -0.116 1.00 0.00 C ATOM 119 O SER A 8 5.348 -8.786 -0.882 1.00 0.00 O ATOM 120 CB SER A 8 8.304 -10.445 0.045 1.00 0.00 C ATOM 121 OG SER A 8 9.701 -10.475 -0.243 1.00 0.00 O ATOM 0 H SER A 8 8.683 -8.007 0.725 1.00 0.00 H new ATOM 0 HA SER A 8 7.656 -9.345 -1.683 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.147 -10.421 1.123 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.828 -11.353 -0.326 1.00 0.00 H new ATOM 0 HG SER A 8 10.105 -11.263 0.177 1.00 0.00 H new ATOM 127 N VAL A 9 6.056 -9.221 1.173 1.00 0.00 N ATOM 128 CA VAL A 9 4.737 -9.194 1.743 1.00 0.00 C ATOM 129 C VAL A 9 4.769 -8.414 3.035 1.00 0.00 C ATOM 130 O VAL A 9 4.265 -7.324 3.111 1.00 0.00 O ATOM 131 CB VAL A 9 4.216 -10.645 2.008 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.873 -10.619 2.673 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.126 -11.442 0.719 1.00 0.00 C ATOM 0 H VAL A 9 6.807 -9.361 1.848 1.00 0.00 H new ATOM 0 HA VAL A 9 4.058 -8.713 1.039 1.00 0.00 H new ATOM 0 HB VAL A 9 4.933 -11.129 2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.533 -11.640 2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.949 -10.095 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.159 -10.103 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.761 -12.446 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.439 -10.947 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.113 -11.506 0.261 1.00 0.00 H new ATOM 143 N GLN A 10 5.470 -8.937 4.012 1.00 0.00 N ATOM 144 CA GLN A 10 5.524 -8.334 5.345 1.00 0.00 C ATOM 145 C GLN A 10 6.235 -6.979 5.341 1.00 0.00 C ATOM 146 O GLN A 10 6.150 -6.217 6.294 1.00 0.00 O ATOM 147 CB GLN A 10 6.160 -9.299 6.368 1.00 0.00 C ATOM 148 CG GLN A 10 7.662 -9.570 6.224 1.00 0.00 C ATOM 149 CD GLN A 10 8.057 -10.215 4.910 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.291 -10.941 4.285 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.232 -9.968 4.489 1.00 0.00 N ATOM 0 H GLN A 10 6.022 -9.790 3.918 1.00 0.00 H new ATOM 0 HA GLN A 10 4.495 -8.148 5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.981 -8.901 7.367 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.636 -10.253 6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.201 -8.628 6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.983 -10.214 7.042 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.850 -9.361 5.028 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.556 -10.377 3.613 1.00 0.00 H new ATOM 160 N GLN A 11 6.929 -6.686 4.261 1.00 0.00 N ATOM 161 CA GLN A 11 7.601 -5.427 4.131 1.00 0.00 C ATOM 162 C GLN A 11 6.704 -4.345 3.522 1.00 0.00 C ATOM 163 O GLN A 11 6.978 -3.167 3.670 1.00 0.00 O ATOM 164 CB GLN A 11 8.932 -5.577 3.401 1.00 0.00 C ATOM 165 CG GLN A 11 9.998 -6.268 4.246 1.00 0.00 C ATOM 166 CD GLN A 11 11.390 -6.278 3.630 1.00 0.00 C ATOM 167 OE1 GLN A 11 12.386 -6.248 4.341 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.477 -6.368 2.345 1.00 0.00 N ATOM 0 H GLN A 11 7.038 -7.311 3.462 1.00 0.00 H new ATOM 0 HA GLN A 11 7.834 -5.080 5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.776 -6.147 2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.292 -4.591 3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.049 -5.775 5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.688 -7.297 4.427 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.630 -6.391 1.777 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.393 -6.416 1.898 1.00 0.00 H new ATOM 177 N VAL A 12 5.589 -4.745 2.908 1.00 0.00 N ATOM 178 CA VAL A 12 4.670 -3.774 2.281 1.00 0.00 C ATOM 179 C VAL A 12 3.862 -3.058 3.377 1.00 0.00 C ATOM 180 O VAL A 12 3.433 -1.900 3.230 1.00 0.00 O ATOM 181 CB VAL A 12 3.695 -4.477 1.262 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.503 -5.155 1.931 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.240 -3.522 0.181 1.00 0.00 C ATOM 0 H VAL A 12 5.297 -5.719 2.828 1.00 0.00 H new ATOM 0 HA VAL A 12 5.263 -3.049 1.724 1.00 0.00 H new ATOM 0 HB VAL A 12 4.277 -5.272 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.874 -5.618 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.860 -5.919 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.923 -4.413 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.569 -4.041 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.716 -2.681 0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.107 -3.155 -0.369 1.00 0.00 H new ATOM 193 N SER A 13 3.719 -3.749 4.496 1.00 0.00 N ATOM 194 CA SER A 13 2.954 -3.296 5.616 1.00 0.00 C ATOM 195 C SER A 13 3.592 -2.074 6.278 1.00 0.00 C ATOM 196 O SER A 13 2.877 -1.221 6.811 1.00 0.00 O ATOM 197 CB SER A 13 2.836 -4.446 6.597 1.00 0.00 C ATOM 198 OG SER A 13 2.822 -5.677 5.866 1.00 0.00 O ATOM 0 H SER A 13 4.148 -4.663 4.641 1.00 0.00 H new ATOM 0 HA SER A 13 1.965 -2.984 5.280 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.672 -4.432 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.925 -4.347 7.187 1.00 0.00 H new ATOM 0 HG SER A 13 2.748 -6.428 6.491 1.00 0.00 H new ATOM 204 N HIS A 14 4.931 -1.959 6.174 1.00 0.00 N ATOM 205 CA HIS A 14 5.668 -0.851 6.803 1.00 0.00 C ATOM 206 C HIS A 14 5.164 0.465 6.258 1.00 0.00 C ATOM 207 O HIS A 14 4.943 1.419 7.013 1.00 0.00 O ATOM 208 CB HIS A 14 7.192 -0.948 6.570 1.00 0.00 C ATOM 209 CG HIS A 14 7.843 -2.212 7.055 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.787 -2.667 8.347 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.568 -3.127 6.373 1.00 0.00 C ATOM 212 CE1 HIS A 14 8.455 -3.819 8.412 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.957 -4.145 7.233 1.00 0.00 N ATOM 0 H HIS A 14 5.519 -2.617 5.663 1.00 0.00 H new ATOM 0 HA HIS A 14 5.494 -0.914 7.877 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.385 -0.847 5.502 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.671 -0.102 7.062 1.00 0.00 H new ATOM 0 HD1 HIS A 14 7.316 -2.204 9.124 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.808 -3.074 5.321 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.571 -4.408 9.310 1.00 0.00 H new ATOM 221 N TRP A 15 4.936 0.493 4.951 1.00 0.00 N ATOM 222 CA TRP A 15 4.406 1.656 4.299 1.00 0.00 C ATOM 223 C TRP A 15 3.007 1.933 4.802 1.00 0.00 C ATOM 224 O TRP A 15 2.772 2.982 5.376 1.00 0.00 O ATOM 225 CB TRP A 15 4.449 1.507 2.758 1.00 0.00 C ATOM 226 CG TRP A 15 3.609 2.519 2.015 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.849 3.855 1.849 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.382 2.249 1.333 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.820 4.426 1.127 1.00 0.00 N ATOM 230 CE2 TRP A 15 1.918 3.458 0.793 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.631 1.096 1.130 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.728 3.540 0.070 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.464 1.188 0.409 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.030 2.391 -0.104 1.00 0.00 C ATOM 0 H TRP A 15 5.117 -0.293 4.326 1.00 0.00 H new ATOM 0 HA TRP A 15 5.032 2.514 4.545 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.483 1.594 2.424 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.112 0.505 2.491 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.712 4.383 2.226 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.746 5.413 0.882 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.958 0.148 1.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.378 4.478 -0.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.125 0.299 0.241 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.894 2.419 -0.662 1.00 0.00 H new ATOM 245 N LEU A 16 2.121 0.947 4.655 1.00 0.00 N ATOM 246 CA LEU A 16 0.702 1.045 5.046 1.00 0.00 C ATOM 247 C LEU A 16 0.517 1.586 6.451 1.00 0.00 C ATOM 248 O LEU A 16 -0.217 2.549 6.658 1.00 0.00 O ATOM 249 CB LEU A 16 0.051 -0.320 4.953 1.00 0.00 C ATOM 250 CG LEU A 16 -0.145 -0.884 3.550 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.390 -2.362 3.616 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.333 -0.222 2.881 1.00 0.00 C ATOM 0 H LEU A 16 2.367 0.041 4.255 1.00 0.00 H new ATOM 0 HA LEU A 16 0.231 1.746 4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.655 -1.026 5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.923 -0.268 5.439 1.00 0.00 H new ATOM 0 HG LEU A 16 0.758 -0.687 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.528 -2.753 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.465 -2.852 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.285 -2.556 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.463 -0.633 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.232 -0.408 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.160 0.852 2.813 1.00 0.00 H new ATOM 264 N VAL A 17 1.207 1.000 7.401 1.00 0.00 N ATOM 265 CA VAL A 17 1.100 1.398 8.797 1.00 0.00 C ATOM 266 C VAL A 17 1.562 2.863 8.994 1.00 0.00 C ATOM 267 O VAL A 17 1.059 3.570 9.874 1.00 0.00 O ATOM 268 CB VAL A 17 1.921 0.437 9.698 1.00 0.00 C ATOM 269 CG1 VAL A 17 1.883 0.847 11.165 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.437 -0.998 9.547 1.00 0.00 C ATOM 0 H VAL A 17 1.860 0.234 7.235 1.00 0.00 H new ATOM 0 HA VAL A 17 0.052 1.336 9.090 1.00 0.00 H new ATOM 0 HB VAL A 17 2.956 0.502 9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.472 0.144 11.755 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.298 1.849 11.274 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.852 0.842 11.518 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.029 -1.651 10.189 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.388 -1.060 9.835 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.548 -1.312 8.509 1.00 0.00 H new ATOM 280 N GLY A 18 2.411 3.339 8.095 1.00 0.00 N ATOM 281 CA GLY A 18 2.956 4.672 8.206 1.00 0.00 C ATOM 282 C GLY A 18 1.949 5.726 7.833 1.00 0.00 C ATOM 283 O GLY A 18 2.048 6.879 8.260 1.00 0.00 O ATOM 0 H GLY A 18 2.734 2.816 7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.296 4.841 9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.830 4.761 7.561 1.00 0.00 H new ATOM 287 N LEU A 19 0.977 5.346 7.033 1.00 0.00 N ATOM 288 CA LEU A 19 -0.104 6.246 6.701 1.00 0.00 C ATOM 289 C LEU A 19 -1.371 5.851 7.441 1.00 0.00 C ATOM 290 O LEU A 19 -2.461 6.306 7.118 1.00 0.00 O ATOM 291 CB LEU A 19 -0.348 6.384 5.182 1.00 0.00 C ATOM 292 CG LEU A 19 -0.525 5.120 4.340 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.303 5.426 3.100 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.800 4.590 3.918 1.00 0.00 C ATOM 0 H LEU A 19 0.913 4.424 6.602 1.00 0.00 H new ATOM 0 HA LEU A 19 0.201 7.238 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.239 6.997 5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.489 6.943 4.764 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.053 4.387 4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.421 4.517 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.285 5.812 3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.771 6.173 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.658 3.690 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.321 5.342 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.393 4.349 4.800 1.00 0.00 H new ATOM 306 N SER A 20 -1.191 5.015 8.468 1.00 0.00 N ATOM 307 CA SER A 20 -2.270 4.536 9.332 1.00 0.00 C ATOM 308 C SER A 20 -3.280 3.667 8.558 1.00 0.00 C ATOM 309 O SER A 20 -4.420 3.530 8.948 1.00 0.00 O ATOM 310 CB SER A 20 -2.943 5.723 10.038 1.00 0.00 C ATOM 311 OG SER A 20 -1.962 6.506 10.731 1.00 0.00 O ATOM 0 H SER A 20 -0.275 4.647 8.725 1.00 0.00 H new ATOM 0 HA SER A 20 -1.840 3.889 10.097 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.464 6.342 9.308 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.693 5.360 10.741 1.00 0.00 H new ATOM 0 HG SER A 20 -2.401 7.261 11.176 1.00 0.00 H new ATOM 317 N LEU A 21 -2.773 3.009 7.519 1.00 0.00 N ATOM 318 CA LEU A 21 -3.487 2.131 6.614 1.00 0.00 C ATOM 319 C LEU A 21 -3.218 0.696 7.011 1.00 0.00 C ATOM 320 O LEU A 21 -3.372 -0.213 6.207 1.00 0.00 O ATOM 321 CB LEU A 21 -3.000 2.359 5.160 1.00 0.00 C ATOM 322 CG LEU A 21 -3.740 3.372 4.261 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.870 2.706 3.537 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.265 4.572 5.042 1.00 0.00 C ATOM 0 H LEU A 21 -1.785 3.084 7.276 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.555 2.343 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.956 2.668 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.023 1.394 4.653 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.011 3.742 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.380 3.436 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.479 1.901 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.574 2.296 4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.777 5.253 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.962 4.231 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.432 5.091 5.516 1.00 0.00 H new ATOM 336 N ASP A 22 -2.801 0.505 8.266 1.00 0.00 N ATOM 337 CA ASP A 22 -2.569 -0.831 8.857 1.00 0.00 C ATOM 338 C ASP A 22 -3.755 -1.780 8.632 1.00 0.00 C ATOM 339 O ASP A 22 -3.577 -2.994 8.483 1.00 0.00 O ATOM 340 CB ASP A 22 -2.250 -0.711 10.350 1.00 0.00 C ATOM 341 CG ASP A 22 -2.152 -2.049 11.052 1.00 0.00 C ATOM 342 OD1 ASP A 22 -1.139 -2.745 10.913 1.00 0.00 O ATOM 343 OD2 ASP A 22 -3.110 -2.427 11.760 1.00 0.00 O ATOM 0 H ASP A 22 -2.612 1.273 8.910 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.709 -1.264 8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.308 -0.175 10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.022 -0.111 10.832 1.00 0.00 H new ATOM 348 N GLN A 23 -4.954 -1.218 8.549 1.00 0.00 N ATOM 349 CA GLN A 23 -6.156 -2.006 8.254 1.00 0.00 C ATOM 350 C GLN A 23 -6.093 -2.687 6.883 1.00 0.00 C ATOM 351 O GLN A 23 -6.759 -3.693 6.645 1.00 0.00 O ATOM 352 CB GLN A 23 -7.445 -1.185 8.377 1.00 0.00 C ATOM 353 CG GLN A 23 -7.488 0.118 7.623 1.00 0.00 C ATOM 354 CD GLN A 23 -6.885 1.216 8.416 1.00 0.00 C ATOM 355 OE1 GLN A 23 -6.933 1.216 9.639 1.00 0.00 O ATOM 356 NE2 GLN A 23 -6.332 2.134 7.761 1.00 0.00 N ATOM 0 H GLN A 23 -5.126 -0.221 8.681 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.180 -2.786 9.016 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.276 -1.803 8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.615 -0.974 9.433 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.954 0.012 6.678 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.521 0.366 7.379 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.315 2.094 6.742 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.900 2.919 8.248 1.00 0.00 H new ATOM 365 N TYR A 24 -5.279 -2.163 6.001 1.00 0.00 N ATOM 366 CA TYR A 24 -5.144 -2.727 4.688 1.00 0.00 C ATOM 367 C TYR A 24 -4.127 -3.843 4.656 1.00 0.00 C ATOM 368 O TYR A 24 -4.209 -4.718 3.803 1.00 0.00 O ATOM 369 CB TYR A 24 -4.854 -1.662 3.635 1.00 0.00 C ATOM 370 CG TYR A 24 -6.098 -1.123 2.969 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.859 -0.130 3.560 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.514 -1.622 1.741 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.995 0.353 2.951 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.660 -1.136 1.122 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.393 -0.144 1.738 1.00 0.00 C ATOM 376 OH TYR A 24 -9.544 0.352 1.139 1.00 0.00 O ATOM 0 H TYR A 24 -4.698 -1.342 6.173 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.108 -3.168 4.433 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.314 -0.838 4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.197 -2.083 2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.557 0.273 4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.939 -2.399 1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.575 1.127 3.431 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.973 -1.532 0.167 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.689 -0.103 0.283 1.00 0.00 H new ATOM 386 N VAL A 25 -3.205 -3.841 5.618 1.00 0.00 N ATOM 387 CA VAL A 25 -2.152 -4.881 5.715 1.00 0.00 C ATOM 388 C VAL A 25 -2.759 -6.281 5.755 1.00 0.00 C ATOM 389 O VAL A 25 -2.255 -7.198 5.106 1.00 0.00 O ATOM 390 CB VAL A 25 -1.211 -4.693 6.955 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.192 -5.806 7.042 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.537 -3.340 6.922 1.00 0.00 C ATOM 0 H VAL A 25 -3.156 -3.132 6.350 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.545 -4.766 4.817 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.828 -4.739 7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.446 -5.648 7.912 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.705 -6.763 7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.419 -5.811 6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.110 -3.235 7.793 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.060 -3.253 6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.294 -2.556 6.936 1.00 0.00 H new ATOM 402 N SER A 26 -3.873 -6.400 6.459 1.00 0.00 N ATOM 403 CA SER A 26 -4.597 -7.649 6.643 1.00 0.00 C ATOM 404 C SER A 26 -4.866 -8.359 5.296 1.00 0.00 C ATOM 405 O SER A 26 -4.722 -9.588 5.176 1.00 0.00 O ATOM 406 CB SER A 26 -5.904 -7.304 7.331 1.00 0.00 C ATOM 407 OG SER A 26 -5.645 -6.411 8.418 1.00 0.00 O ATOM 0 H SER A 26 -4.311 -5.609 6.931 1.00 0.00 H new ATOM 0 HA SER A 26 -4.004 -8.339 7.243 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.591 -6.842 6.622 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.386 -8.211 7.697 1.00 0.00 H new ATOM 0 HG SER A 26 -6.488 -6.185 8.864 1.00 0.00 H new ATOM 413 N GLU A 27 -5.194 -7.576 4.284 1.00 0.00 N ATOM 414 CA GLU A 27 -5.496 -8.120 2.989 1.00 0.00 C ATOM 415 C GLU A 27 -4.319 -7.918 2.027 1.00 0.00 C ATOM 416 O GLU A 27 -4.096 -8.740 1.150 1.00 0.00 O ATOM 417 CB GLU A 27 -6.786 -7.519 2.447 1.00 0.00 C ATOM 418 CG GLU A 27 -7.263 -8.114 1.127 1.00 0.00 C ATOM 419 CD GLU A 27 -7.583 -9.584 1.182 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.093 -10.055 2.219 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.338 -10.286 0.172 1.00 0.00 O ATOM 0 H GLU A 27 -5.256 -6.560 4.343 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.651 -9.195 3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.571 -7.647 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.643 -6.446 2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.152 -7.574 0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.495 -7.951 0.371 1.00 0.00 H new ATOM 428 N PHE A 28 -3.545 -6.833 2.212 1.00 0.00 N ATOM 429 CA PHE A 28 -2.344 -6.583 1.394 1.00 0.00 C ATOM 430 C PHE A 28 -1.406 -7.785 1.468 1.00 0.00 C ATOM 431 O PHE A 28 -0.876 -8.251 0.454 1.00 0.00 O ATOM 432 CB PHE A 28 -1.607 -5.323 1.865 1.00 0.00 C ATOM 433 CG PHE A 28 -1.819 -4.095 1.004 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.064 -3.502 0.881 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.750 -3.534 0.317 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.236 -2.376 0.090 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.921 -2.414 -0.467 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.159 -1.835 -0.582 1.00 0.00 C ATOM 0 H PHE A 28 -3.728 -6.119 2.917 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.662 -6.429 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.925 -5.094 2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.539 -5.539 1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.910 -3.921 1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.229 -3.982 0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.212 -1.923 -0.000 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.078 -1.991 -0.993 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.291 -0.957 -1.197 1.00 0.00 H new ATOM 448 N SER A 29 -1.288 -8.322 2.669 1.00 0.00 N ATOM 449 CA SER A 29 -0.470 -9.470 2.931 1.00 0.00 C ATOM 450 C SER A 29 -1.089 -10.712 2.279 1.00 0.00 C ATOM 451 O SER A 29 -0.382 -11.555 1.721 1.00 0.00 O ATOM 452 CB SER A 29 -0.324 -9.665 4.460 1.00 0.00 C ATOM 453 OG SER A 29 0.482 -10.787 4.790 1.00 0.00 O ATOM 0 H SER A 29 -1.768 -7.961 3.494 1.00 0.00 H new ATOM 0 HA SER A 29 0.521 -9.318 2.504 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.112 -8.767 4.898 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.312 -9.788 4.903 1.00 0.00 H new ATOM 0 HG SER A 29 0.546 -10.868 5.765 1.00 0.00 H new ATOM 459 N ALA A 30 -2.413 -10.761 2.258 1.00 0.00 N ATOM 460 CA ALA A 30 -3.142 -11.925 1.794 1.00 0.00 C ATOM 461 C ALA A 30 -3.003 -12.127 0.297 1.00 0.00 C ATOM 462 O ALA A 30 -2.976 -13.263 -0.184 1.00 0.00 O ATOM 463 CB ALA A 30 -4.605 -11.825 2.190 1.00 0.00 C ATOM 0 H ALA A 30 -3.010 -9.992 2.563 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.704 -12.799 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.139 -12.706 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.685 -11.765 3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.042 -10.931 1.745 1.00 0.00 H new ATOM 469 N GLN A 31 -2.884 -11.034 -0.445 1.00 0.00 N ATOM 470 CA GLN A 31 -2.755 -11.139 -1.907 1.00 0.00 C ATOM 471 C GLN A 31 -1.306 -11.012 -2.311 1.00 0.00 C ATOM 472 O GLN A 31 -0.990 -10.956 -3.509 1.00 0.00 O ATOM 473 CB GLN A 31 -3.584 -10.084 -2.649 1.00 0.00 C ATOM 474 CG GLN A 31 -4.674 -9.463 -1.822 1.00 0.00 C ATOM 475 CD GLN A 31 -5.726 -8.744 -2.638 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.454 -8.192 -3.710 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.943 -8.772 -2.165 1.00 0.00 N ATOM 0 H GLN A 31 -2.873 -10.082 -0.078 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.140 -12.119 -2.188 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.918 -9.297 -3.002 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.030 -10.543 -3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.156 -10.241 -1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.228 -8.759 -1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.134 -9.236 -1.277 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.702 -8.330 -2.684 1.00 0.00 H new ATOM 486 N ASN A 32 -0.421 -10.969 -1.300 1.00 0.00 N ATOM 487 CA ASN A 32 1.024 -10.877 -1.507 1.00 0.00 C ATOM 488 C ASN A 32 1.361 -9.617 -2.283 1.00 0.00 C ATOM 489 O ASN A 32 2.248 -9.608 -3.155 1.00 0.00 O ATOM 490 CB ASN A 32 1.556 -12.138 -2.223 1.00 0.00 C ATOM 491 CG ASN A 32 1.323 -13.419 -1.428 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.167 -13.846 -0.637 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.186 -14.036 -1.629 1.00 0.00 N ATOM 0 H ASN A 32 -0.694 -10.997 -0.318 1.00 0.00 H new ATOM 0 HA ASN A 32 1.515 -10.820 -0.536 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.072 -12.228 -3.196 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.624 -12.021 -2.408 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.023 -14.897 -1.124 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.491 -13.656 -2.291 1.00 0.00 H new ATOM 500 N ILE A 33 0.644 -8.544 -1.948 1.00 0.00 N ATOM 501 CA ILE A 33 0.836 -7.269 -2.577 1.00 0.00 C ATOM 502 C ILE A 33 2.204 -6.738 -2.175 1.00 0.00 C ATOM 503 O ILE A 33 2.442 -6.466 -1.012 1.00 0.00 O ATOM 504 CB ILE A 33 -0.263 -6.234 -2.158 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.671 -6.725 -2.548 1.00 0.00 C ATOM 506 CG2 ILE A 33 0.005 -4.859 -2.787 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.878 -6.931 -4.042 1.00 0.00 C ATOM 0 H ILE A 33 -0.082 -8.550 -1.232 1.00 0.00 H new ATOM 0 HA ILE A 33 0.765 -7.403 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.219 -6.136 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.869 -7.665 -2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.406 -6.004 -2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.773 -4.160 -2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.976 -4.490 -2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.003 -4.949 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.896 -7.277 -4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.716 -5.989 -4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.171 -7.676 -4.408 1.00 0.00 H new ATOM 519 N SER A 34 3.099 -6.653 -3.112 1.00 0.00 N ATOM 520 CA SER A 34 4.407 -6.151 -2.831 1.00 0.00 C ATOM 521 C SER A 34 4.524 -4.762 -3.437 1.00 0.00 C ATOM 522 O SER A 34 3.524 -4.197 -3.909 1.00 0.00 O ATOM 523 CB SER A 34 5.462 -7.079 -3.445 1.00 0.00 C ATOM 524 OG SER A 34 5.394 -7.076 -4.858 1.00 0.00 O ATOM 0 H SER A 34 2.945 -6.927 -4.082 1.00 0.00 H new ATOM 0 HA SER A 34 4.570 -6.105 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.456 -6.763 -3.127 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.316 -8.094 -3.075 1.00 0.00 H new ATOM 0 HG SER A 34 4.606 -7.581 -5.149 1.00 0.00 H new ATOM 530 N GLY A 35 5.738 -4.235 -3.488 1.00 0.00 N ATOM 531 CA GLY A 35 5.978 -2.948 -4.091 1.00 0.00 C ATOM 532 C GLY A 35 5.640 -2.956 -5.565 1.00 0.00 C ATOM 533 O GLY A 35 5.278 -1.921 -6.128 1.00 0.00 O ATOM 0 H GLY A 35 6.572 -4.688 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.381 -2.190 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.024 -2.672 -3.958 1.00 0.00 H new ATOM 537 N GLU A 36 5.706 -4.153 -6.163 1.00 0.00 N ATOM 538 CA GLU A 36 5.383 -4.389 -7.564 1.00 0.00 C ATOM 539 C GLU A 36 3.954 -3.901 -7.835 1.00 0.00 C ATOM 540 O GLU A 36 3.670 -3.281 -8.862 1.00 0.00 O ATOM 541 CB GLU A 36 5.477 -5.895 -7.842 1.00 0.00 C ATOM 542 CG GLU A 36 5.402 -6.289 -9.303 1.00 0.00 C ATOM 543 CD GLU A 36 6.630 -5.887 -10.080 1.00 0.00 C ATOM 544 OE1 GLU A 36 7.655 -6.600 -9.995 1.00 0.00 O ATOM 545 OE2 GLU A 36 6.589 -4.872 -10.814 1.00 0.00 O ATOM 0 H GLU A 36 5.992 -4.999 -5.670 1.00 0.00 H new ATOM 0 HA GLU A 36 6.077 -3.852 -8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.416 -6.266 -7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.673 -6.398 -7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.268 -7.368 -9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.524 -5.827 -9.755 1.00 0.00 H new ATOM 552 N GLN A 37 3.076 -4.148 -6.883 1.00 0.00 N ATOM 553 CA GLN A 37 1.709 -3.732 -6.999 1.00 0.00 C ATOM 554 C GLN A 37 1.415 -2.437 -6.241 1.00 0.00 C ATOM 555 O GLN A 37 0.461 -1.755 -6.563 1.00 0.00 O ATOM 556 CB GLN A 37 0.697 -4.855 -6.655 1.00 0.00 C ATOM 557 CG GLN A 37 1.191 -5.991 -5.790 1.00 0.00 C ATOM 558 CD GLN A 37 2.137 -6.960 -6.465 1.00 0.00 C ATOM 559 OE1 GLN A 37 2.974 -7.540 -5.816 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.035 -7.118 -7.749 1.00 0.00 N ATOM 0 H GLN A 37 3.296 -4.640 -6.017 1.00 0.00 H new ATOM 0 HA GLN A 37 1.565 -3.510 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.158 -4.398 -6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.331 -5.278 -7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.691 -5.570 -4.918 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.328 -6.548 -5.424 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.317 -6.614 -8.269 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.673 -7.746 -8.238 1.00 0.00 H new ATOM 569 N LEU A 38 2.263 -2.105 -5.271 1.00 0.00 N ATOM 570 CA LEU A 38 2.124 -0.894 -4.431 1.00 0.00 C ATOM 571 C LEU A 38 2.279 0.365 -5.300 1.00 0.00 C ATOM 572 O LEU A 38 1.429 1.240 -5.303 1.00 0.00 O ATOM 573 CB LEU A 38 3.239 -0.927 -3.355 1.00 0.00 C ATOM 574 CG LEU A 38 3.070 -0.108 -2.049 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.283 -0.297 -1.163 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.861 1.373 -2.297 1.00 0.00 C ATOM 0 H LEU A 38 3.079 -2.669 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 38 1.141 -0.872 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.386 -1.969 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.161 -0.594 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 38 2.172 -0.485 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.158 0.281 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.391 -1.353 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.175 0.045 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.750 1.889 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.721 1.778 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.962 1.518 -2.896 1.00 0.00 H new ATOM 588 N LEU A 39 3.350 0.411 -6.065 1.00 0.00 N ATOM 589 CA LEU A 39 3.692 1.588 -6.882 1.00 0.00 C ATOM 590 C LEU A 39 2.624 1.877 -7.929 1.00 0.00 C ATOM 591 O LEU A 39 2.351 3.030 -8.271 1.00 0.00 O ATOM 592 CB LEU A 39 5.026 1.341 -7.576 1.00 0.00 C ATOM 593 CG LEU A 39 6.228 1.074 -6.667 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.331 0.424 -7.469 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.730 2.373 -6.047 1.00 0.00 C ATOM 0 H LEU A 39 4.015 -0.358 -6.147 1.00 0.00 H new ATOM 0 HA LEU A 39 3.757 2.453 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.909 0.490 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.253 2.207 -8.197 1.00 0.00 H new ATOM 0 HG LEU A 39 5.921 0.406 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.187 0.234 -6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.973 -0.518 -7.883 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.630 1.087 -8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.585 2.163 -5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.031 3.061 -6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.934 2.825 -5.456 1.00 0.00 H new ATOM 607 N GLN A 40 2.030 0.840 -8.436 1.00 0.00 N ATOM 608 CA GLN A 40 1.038 0.996 -9.478 1.00 0.00 C ATOM 609 C GLN A 40 -0.414 0.878 -8.953 1.00 0.00 C ATOM 610 O GLN A 40 -1.359 0.783 -9.745 1.00 0.00 O ATOM 611 CB GLN A 40 1.357 0.046 -10.658 1.00 0.00 C ATOM 612 CG GLN A 40 1.265 -1.445 -10.360 1.00 0.00 C ATOM 613 CD GLN A 40 -0.127 -1.995 -10.559 1.00 0.00 C ATOM 614 OE1 GLN A 40 -0.880 -1.529 -11.402 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.483 -2.966 -9.793 1.00 0.00 N ATOM 0 H GLN A 40 2.208 -0.124 -8.153 1.00 0.00 H new ATOM 0 HA GLN A 40 1.097 2.016 -9.858 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.675 0.275 -11.477 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.365 0.264 -11.011 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.959 -1.984 -11.005 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.579 -1.626 -9.332 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.168 -3.333 -9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.416 -3.368 -9.880 1.00 0.00 H new ATOM 624 N LEU A 41 -0.587 0.935 -7.622 1.00 0.00 N ATOM 625 CA LEU A 41 -1.915 0.884 -6.996 1.00 0.00 C ATOM 626 C LEU A 41 -2.854 1.948 -7.529 1.00 0.00 C ATOM 627 O LEU A 41 -2.424 3.003 -8.019 1.00 0.00 O ATOM 628 CB LEU A 41 -1.827 1.089 -5.499 1.00 0.00 C ATOM 629 CG LEU A 41 -1.373 -0.077 -4.658 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.150 0.411 -3.272 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.428 -1.167 -4.634 1.00 0.00 C ATOM 0 H LEU A 41 0.182 1.017 -6.957 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.304 -0.106 -7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.148 1.921 -5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.811 1.396 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.458 -0.491 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.820 -0.416 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.386 1.188 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.080 0.819 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.079 -1.998 -4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.352 -0.770 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.612 -1.517 -5.650 1.00 0.00 H new ATOM 643 N ASP A 42 -4.118 1.675 -7.426 1.00 0.00 N ATOM 644 CA ASP A 42 -5.159 2.595 -7.801 1.00 0.00 C ATOM 645 C ASP A 42 -6.394 2.142 -7.078 1.00 0.00 C ATOM 646 O ASP A 42 -6.325 1.165 -6.307 1.00 0.00 O ATOM 647 CB ASP A 42 -5.414 2.604 -9.329 1.00 0.00 C ATOM 648 CG ASP A 42 -6.272 1.453 -9.815 1.00 0.00 C ATOM 649 OD1 ASP A 42 -5.853 0.296 -9.699 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.405 1.708 -10.286 1.00 0.00 O ATOM 0 H ASP A 42 -4.468 0.785 -7.070 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.872 3.612 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.895 3.543 -9.602 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.456 2.574 -9.848 1.00 0.00 H new ATOM 655 N GLY A 43 -7.498 2.802 -7.325 1.00 0.00 N ATOM 656 CA GLY A 43 -8.734 2.470 -6.689 1.00 0.00 C ATOM 657 C GLY A 43 -9.171 1.051 -6.954 1.00 0.00 C ATOM 658 O GLY A 43 -9.639 0.400 -6.043 1.00 0.00 O ATOM 0 H GLY A 43 -7.558 3.585 -7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.634 2.619 -5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.509 3.154 -7.035 1.00 0.00 H new ATOM 662 N ASN A 44 -8.977 0.555 -8.186 1.00 0.00 N ATOM 663 CA ASN A 44 -9.359 -0.813 -8.539 1.00 0.00 C ATOM 664 C ASN A 44 -8.698 -1.813 -7.669 1.00 0.00 C ATOM 665 O ASN A 44 -9.346 -2.734 -7.170 1.00 0.00 O ATOM 666 CB ASN A 44 -9.106 -1.137 -10.005 1.00 0.00 C ATOM 667 CG ASN A 44 -10.171 -0.578 -10.914 1.00 0.00 C ATOM 668 OD1 ASN A 44 -11.317 -0.399 -10.505 1.00 0.00 O ATOM 669 ND2 ASN A 44 -9.831 -0.332 -12.152 1.00 0.00 N ATOM 0 H ASN A 44 -8.558 1.084 -8.951 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.435 -0.871 -8.374 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.136 -0.737 -10.299 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.057 -2.219 -10.131 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.525 0.019 -12.811 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.871 -0.491 -12.459 1.00 0.00 H new ATOM 676 N LYS A 45 -7.420 -1.629 -7.455 1.00 0.00 N ATOM 677 CA LYS A 45 -6.689 -2.499 -6.582 1.00 0.00 C ATOM 678 C LYS A 45 -7.204 -2.402 -5.166 1.00 0.00 C ATOM 679 O LYS A 45 -7.478 -3.399 -4.559 1.00 0.00 O ATOM 680 CB LYS A 45 -5.198 -2.240 -6.636 1.00 0.00 C ATOM 681 CG LYS A 45 -4.657 -2.266 -8.034 1.00 0.00 C ATOM 682 CD LYS A 45 -3.204 -2.729 -8.081 1.00 0.00 C ATOM 683 CE LYS A 45 -3.012 -4.166 -7.569 1.00 0.00 C ATOM 684 NZ LYS A 45 -3.736 -5.167 -8.384 1.00 0.00 N ATOM 0 H LYS A 45 -6.867 -0.882 -7.876 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.850 -3.517 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.985 -1.270 -6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.681 -2.989 -6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.268 -2.930 -8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.733 -1.270 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.841 -2.664 -9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.594 -2.052 -7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.949 -4.407 -7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.356 -4.228 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.504 -6.123 -8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.760 -5.009 -8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.453 -5.074 -9.380 1.00 0.00 H new ATOM 698 N LEU A 46 -7.404 -1.188 -4.684 1.00 0.00 N ATOM 699 CA LEU A 46 -7.906 -0.946 -3.319 1.00 0.00 C ATOM 700 C LEU A 46 -9.285 -1.578 -3.112 1.00 0.00 C ATOM 701 O LEU A 46 -9.639 -2.026 -2.007 1.00 0.00 O ATOM 702 CB LEU A 46 -7.967 0.547 -3.073 1.00 0.00 C ATOM 703 CG LEU A 46 -6.618 1.271 -3.159 1.00 0.00 C ATOM 704 CD1 LEU A 46 -6.801 2.772 -3.103 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.677 0.800 -2.055 1.00 0.00 C ATOM 0 H LEU A 46 -7.227 -0.336 -5.217 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.224 -1.410 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.649 0.992 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.394 0.721 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.167 1.023 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.828 3.260 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.423 3.094 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.284 3.045 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.727 1.328 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.124 1.007 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.506 -0.272 -2.155 1.00 0.00 H new ATOM 717 N LYS A 47 -10.049 -1.607 -4.174 1.00 0.00 N ATOM 718 CA LYS A 47 -11.342 -2.247 -4.185 1.00 0.00 C ATOM 719 C LYS A 47 -11.171 -3.772 -4.154 1.00 0.00 C ATOM 720 O LYS A 47 -11.945 -4.482 -3.508 1.00 0.00 O ATOM 721 CB LYS A 47 -12.136 -1.810 -5.424 1.00 0.00 C ATOM 722 CG LYS A 47 -12.576 -0.344 -5.419 1.00 0.00 C ATOM 723 CD LYS A 47 -12.729 0.217 -6.843 1.00 0.00 C ATOM 724 CE LYS A 47 -13.654 -0.608 -7.721 1.00 0.00 C ATOM 725 NZ LYS A 47 -13.677 -0.105 -9.116 1.00 0.00 N ATOM 0 H LYS A 47 -9.789 -1.183 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.900 -1.945 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.527 -1.989 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.021 -2.440 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.524 -0.252 -4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.846 0.252 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.110 1.237 -6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.747 0.270 -7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.330 -1.649 -7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.663 -0.586 -7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.509 -0.487 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.725 0.934 -9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.813 -0.408 -9.609 1.00 0.00 H new ATOM 739 N ALA A 48 -10.124 -4.256 -4.804 1.00 0.00 N ATOM 740 CA ALA A 48 -9.814 -5.686 -4.870 1.00 0.00 C ATOM 741 C ALA A 48 -9.277 -6.204 -3.534 1.00 0.00 C ATOM 742 O ALA A 48 -9.192 -7.419 -3.310 1.00 0.00 O ATOM 743 CB ALA A 48 -8.832 -5.980 -6.001 1.00 0.00 C ATOM 0 H ALA A 48 -9.458 -3.669 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.744 -6.215 -5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.618 -7.048 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.269 -5.673 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.907 -5.429 -5.832 1.00 0.00 H new ATOM 749 N LEU A 49 -8.918 -5.284 -2.642 1.00 0.00 N ATOM 750 CA LEU A 49 -8.515 -5.642 -1.293 1.00 0.00 C ATOM 751 C LEU A 49 -9.757 -5.958 -0.454 1.00 0.00 C ATOM 752 O LEU A 49 -9.664 -6.368 0.692 1.00 0.00 O ATOM 753 CB LEU A 49 -7.673 -4.526 -0.610 1.00 0.00 C ATOM 754 CG LEU A 49 -6.133 -4.467 -0.878 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.438 -5.740 -0.504 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.783 -4.100 -2.286 1.00 0.00 C ATOM 0 H LEU A 49 -8.899 -4.282 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.878 -6.524 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.096 -3.566 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.816 -4.618 0.467 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.776 -3.666 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.372 -5.646 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.587 -5.937 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.849 -6.564 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.699 -4.079 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.204 -4.837 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.191 -3.116 -2.518 1.00 0.00 H new ATOM 768 N GLY A 50 -10.931 -5.702 -1.029 1.00 0.00 N ATOM 769 CA GLY A 50 -12.189 -6.015 -0.372 1.00 0.00 C ATOM 770 C GLY A 50 -12.515 -5.068 0.757 1.00 0.00 C ATOM 771 O GLY A 50 -13.557 -5.179 1.386 1.00 0.00 O ATOM 0 H GLY A 50 -11.032 -5.277 -1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.994 -5.986 -1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.147 -7.033 0.015 1.00 0.00 H new ATOM 775 N MET A 51 -11.623 -4.131 1.004 1.00 0.00 N ATOM 776 CA MET A 51 -11.812 -3.192 2.081 1.00 0.00 C ATOM 777 C MET A 51 -12.662 -2.052 1.572 1.00 0.00 C ATOM 778 O MET A 51 -13.629 -1.659 2.201 1.00 0.00 O ATOM 779 CB MET A 51 -10.471 -2.692 2.582 1.00 0.00 C ATOM 780 CG MET A 51 -10.526 -1.983 3.930 1.00 0.00 C ATOM 781 SD MET A 51 -11.033 -3.074 5.281 1.00 0.00 S ATOM 782 CE MET A 51 -9.783 -4.370 5.174 1.00 0.00 C ATOM 0 H MET A 51 -10.762 -4.003 0.472 1.00 0.00 H new ATOM 0 HA MET A 51 -12.315 -3.674 2.919 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.787 -3.537 2.658 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.053 -2.009 1.843 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.544 -1.566 4.156 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.221 -1.146 3.866 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.747 -4.919 6.115 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.036 -5.054 4.364 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.809 -3.921 4.979 1.00 0.00 H new ATOM 792 N THR A 52 -12.274 -1.530 0.397 1.00 0.00 N ATOM 793 CA THR A 52 -13.017 -0.516 -0.381 1.00 0.00 C ATOM 794 C THR A 52 -13.339 0.784 0.407 1.00 0.00 C ATOM 795 O THR A 52 -14.152 1.590 -0.035 1.00 0.00 O ATOM 796 CB THR A 52 -14.336 -1.122 -0.971 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.249 -1.516 0.070 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.038 -2.337 -1.826 1.00 0.00 C ATOM 0 H THR A 52 -11.404 -1.810 -0.056 1.00 0.00 H new ATOM 0 HA THR A 52 -12.345 -0.226 -1.189 1.00 0.00 H new ATOM 0 HB THR A 52 -14.794 -0.341 -1.578 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.862 -1.300 0.944 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.970 -2.739 -2.224 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.385 -2.050 -2.650 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.545 -3.097 -1.220 1.00 0.00 H new ATOM 806 N SER A 53 -12.651 0.998 1.509 1.00 0.00 N ATOM 807 CA SER A 53 -12.905 2.133 2.387 1.00 0.00 C ATOM 808 C SER A 53 -12.590 3.454 1.689 1.00 0.00 C ATOM 809 O SER A 53 -11.446 3.692 1.297 1.00 0.00 O ATOM 810 CB SER A 53 -12.080 1.972 3.656 1.00 0.00 C ATOM 811 OG SER A 53 -12.210 3.069 4.542 1.00 0.00 O ATOM 0 H SER A 53 -11.896 0.390 1.827 1.00 0.00 H new ATOM 0 HA SER A 53 -13.963 2.155 2.646 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.386 1.060 4.168 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.030 1.851 3.388 1.00 0.00 H new ATOM 0 HG SER A 53 -11.492 3.039 5.208 1.00 0.00 H new ATOM 817 N SER A 54 -13.608 4.295 1.546 1.00 0.00 N ATOM 818 CA SER A 54 -13.511 5.569 0.856 1.00 0.00 C ATOM 819 C SER A 54 -12.466 6.467 1.528 1.00 0.00 C ATOM 820 O SER A 54 -11.594 7.027 0.848 1.00 0.00 O ATOM 821 CB SER A 54 -14.896 6.251 0.832 1.00 0.00 C ATOM 822 OG SER A 54 -14.926 7.361 -0.057 1.00 0.00 O ATOM 0 H SER A 54 -14.540 4.104 1.914 1.00 0.00 H new ATOM 0 HA SER A 54 -13.188 5.397 -0.171 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.653 5.526 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.154 6.584 1.837 1.00 0.00 H new ATOM 0 HG SER A 54 -15.819 7.765 -0.046 1.00 0.00 H new ATOM 828 N GLN A 55 -12.526 6.549 2.862 1.00 0.00 N ATOM 829 CA GLN A 55 -11.581 7.341 3.637 1.00 0.00 C ATOM 830 C GLN A 55 -10.157 6.911 3.377 1.00 0.00 C ATOM 831 O GLN A 55 -9.287 7.745 3.082 1.00 0.00 O ATOM 832 CB GLN A 55 -11.932 7.334 5.163 1.00 0.00 C ATOM 833 CG GLN A 55 -10.738 7.579 6.112 1.00 0.00 C ATOM 834 CD GLN A 55 -10.017 6.277 6.452 1.00 0.00 C ATOM 835 OE1 GLN A 55 -10.657 5.234 6.582 1.00 0.00 O ATOM 836 NE2 GLN A 55 -8.703 6.293 6.478 1.00 0.00 N ATOM 0 H GLN A 55 -13.228 6.070 3.426 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.668 8.375 3.302 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.687 8.098 5.350 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.382 6.373 5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.038 8.273 5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.092 8.051 7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.201 7.174 6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.185 5.424 6.609 1.00 0.00 H new ATOM 845 N ASP A 56 -9.926 5.611 3.442 1.00 0.00 N ATOM 846 CA ASP A 56 -8.596 5.090 3.266 1.00 0.00 C ATOM 847 C ASP A 56 -8.156 5.318 1.878 1.00 0.00 C ATOM 848 O ASP A 56 -7.066 5.802 1.666 1.00 0.00 O ATOM 849 CB ASP A 56 -8.482 3.603 3.594 1.00 0.00 C ATOM 850 CG ASP A 56 -8.693 3.270 5.047 1.00 0.00 C ATOM 851 OD1 ASP A 56 -7.810 3.544 5.875 1.00 0.00 O ATOM 852 OD2 ASP A 56 -9.746 2.709 5.377 1.00 0.00 O ATOM 0 H ASP A 56 -10.643 4.906 3.615 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.955 5.622 3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.212 3.055 2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.495 3.251 3.292 1.00 0.00 H new ATOM 857 N ARG A 57 -9.047 5.035 0.923 1.00 0.00 N ATOM 858 CA ARG A 57 -8.740 5.175 -0.483 1.00 0.00 C ATOM 859 C ARG A 57 -8.326 6.557 -0.867 1.00 0.00 C ATOM 860 O ARG A 57 -7.478 6.707 -1.697 1.00 0.00 O ATOM 861 CB ARG A 57 -9.849 4.705 -1.399 1.00 0.00 C ATOM 862 CG ARG A 57 -10.080 3.220 -1.366 1.00 0.00 C ATOM 863 CD ARG A 57 -10.663 2.760 -2.669 1.00 0.00 C ATOM 864 NE ARG A 57 -11.991 3.339 -2.960 1.00 0.00 N ATOM 865 CZ ARG A 57 -12.409 3.740 -4.176 1.00 0.00 C ATOM 866 NH1 ARG A 57 -11.536 3.926 -5.165 1.00 0.00 N ATOM 867 NH2 ARG A 57 -13.686 4.024 -4.372 1.00 0.00 N ATOM 0 H ARG A 57 -9.993 4.705 1.113 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.886 4.512 -0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.774 5.213 -1.124 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.614 5.003 -2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.140 2.702 -1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.754 2.967 -0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.978 3.020 -3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.744 1.673 -2.658 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.641 3.443 -2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.542 3.765 -5.005 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.862 4.230 -6.083 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.351 3.939 -3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.006 4.328 -5.292 1.00 0.00 H new ATOM 881 N ALA A 58 -8.906 7.559 -0.256 1.00 0.00 N ATOM 882 CA ALA A 58 -8.551 8.937 -0.577 1.00 0.00 C ATOM 883 C ALA A 58 -7.167 9.283 -0.017 1.00 0.00 C ATOM 884 O ALA A 58 -6.437 10.116 -0.573 1.00 0.00 O ATOM 885 CB ALA A 58 -9.602 9.894 -0.040 1.00 0.00 C ATOM 0 H ALA A 58 -9.622 7.458 0.463 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.514 9.040 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.322 10.918 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.568 9.663 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.671 9.789 1.043 1.00 0.00 H new ATOM 891 N LEU A 59 -6.794 8.609 1.052 1.00 0.00 N ATOM 892 CA LEU A 59 -5.531 8.864 1.710 1.00 0.00 C ATOM 893 C LEU A 59 -4.416 8.077 1.060 1.00 0.00 C ATOM 894 O LEU A 59 -3.371 8.640 0.678 1.00 0.00 O ATOM 895 CB LEU A 59 -5.578 8.523 3.192 1.00 0.00 C ATOM 896 CG LEU A 59 -4.271 8.829 3.926 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.887 10.292 3.771 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.347 8.449 5.375 1.00 0.00 C ATOM 0 H LEU A 59 -7.354 7.875 1.486 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.338 9.932 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.389 9.081 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.812 7.465 3.307 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.492 8.221 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.954 10.482 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.756 10.524 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.675 10.921 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.400 8.681 5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.150 9.008 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.547 7.381 5.461 1.00 0.00 H new ATOM 910 N VAL A 60 -4.634 6.772 0.912 1.00 0.00 N ATOM 911 CA VAL A 60 -3.669 5.893 0.287 1.00 0.00 C ATOM 912 C VAL A 60 -3.414 6.337 -1.158 1.00 0.00 C ATOM 913 O VAL A 60 -2.346 6.168 -1.679 1.00 0.00 O ATOM 914 CB VAL A 60 -4.103 4.373 0.342 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.484 4.158 -0.220 1.00 0.00 C ATOM 916 CG2 VAL A 60 -3.121 3.531 -0.414 1.00 0.00 C ATOM 0 H VAL A 60 -5.484 6.303 1.224 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.743 5.970 0.856 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.118 4.078 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.740 3.100 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.205 4.738 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.507 4.480 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.428 2.486 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.087 3.856 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.132 3.637 0.031 1.00 0.00 H new ATOM 926 N LYS A 61 -4.363 7.054 -1.709 1.00 0.00 N ATOM 927 CA LYS A 61 -4.333 7.466 -3.113 1.00 0.00 C ATOM 928 C LYS A 61 -3.264 8.499 -3.292 1.00 0.00 C ATOM 929 O LYS A 61 -2.566 8.549 -4.305 1.00 0.00 O ATOM 930 CB LYS A 61 -5.671 8.071 -3.515 1.00 0.00 C ATOM 931 CG LYS A 61 -5.877 8.246 -5.010 1.00 0.00 C ATOM 932 CD LYS A 61 -5.827 6.903 -5.725 1.00 0.00 C ATOM 933 CE LYS A 61 -6.287 7.011 -7.172 1.00 0.00 C ATOM 934 NZ LYS A 61 -5.364 7.801 -8.013 1.00 0.00 N ATOM 0 H LYS A 61 -5.188 7.376 -1.203 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.132 6.594 -3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.469 7.439 -3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.771 9.044 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.838 8.726 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.108 8.906 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.809 6.514 -5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.457 6.187 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.386 6.010 -7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.276 7.468 -7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.728 7.840 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.288 8.766 -7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.425 7.354 -8.013 1.00 0.00 H new ATOM 948 N LYS A 62 -3.104 9.275 -2.277 1.00 0.00 N ATOM 949 CA LYS A 62 -2.153 10.331 -2.283 1.00 0.00 C ATOM 950 C LYS A 62 -0.803 9.774 -1.936 1.00 0.00 C ATOM 951 O LYS A 62 0.197 10.066 -2.583 1.00 0.00 O ATOM 952 CB LYS A 62 -2.557 11.432 -1.292 1.00 0.00 C ATOM 953 CG LYS A 62 -1.526 12.528 -1.176 1.00 0.00 C ATOM 954 CD LYS A 62 -1.994 13.697 -0.342 1.00 0.00 C ATOM 955 CE LYS A 62 -0.919 14.771 -0.305 1.00 0.00 C ATOM 956 NZ LYS A 62 -1.314 15.958 0.479 1.00 0.00 N ATOM 0 H LYS A 62 -3.635 9.193 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.116 10.779 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.506 11.866 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.719 10.988 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.616 12.118 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.267 12.882 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.915 14.106 -0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.222 13.364 0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.007 14.350 0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.685 15.078 -1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.542 16.654 0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.168 16.381 0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.511 15.676 1.460 1.00 0.00 H new ATOM 970 N LYS A 63 -0.802 8.924 -0.955 1.00 0.00 N ATOM 971 CA LYS A 63 0.407 8.364 -0.439 1.00 0.00 C ATOM 972 C LYS A 63 1.055 7.395 -1.417 1.00 0.00 C ATOM 973 O LYS A 63 2.263 7.332 -1.510 1.00 0.00 O ATOM 974 CB LYS A 63 0.125 7.625 0.824 1.00 0.00 C ATOM 975 CG LYS A 63 1.144 7.891 1.908 1.00 0.00 C ATOM 976 CD LYS A 63 0.968 9.263 2.536 1.00 0.00 C ATOM 977 CE LYS A 63 -0.358 9.374 3.294 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.363 10.572 4.169 1.00 0.00 N ATOM 0 H LYS A 63 -1.648 8.598 -0.487 1.00 0.00 H new ATOM 0 HA LYS A 63 1.091 9.195 -0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.864 7.904 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.098 6.556 0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.059 7.126 2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.147 7.811 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.795 9.459 3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.008 10.027 1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.184 9.432 2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.515 8.478 3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.906 10.369 5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.614 10.819 4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.801 11.369 3.664 1.00 0.00 H new ATOM 992 N LEU A 64 0.242 6.646 -2.138 1.00 0.00 N ATOM 993 CA LEU A 64 0.738 5.624 -3.060 1.00 0.00 C ATOM 994 C LEU A 64 1.419 6.246 -4.252 1.00 0.00 C ATOM 995 O LEU A 64 2.098 5.571 -4.983 1.00 0.00 O ATOM 996 CB LEU A 64 -0.391 4.653 -3.498 1.00 0.00 C ATOM 997 CG LEU A 64 -1.384 5.120 -4.595 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.814 4.896 -5.995 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.727 4.428 -4.445 1.00 0.00 C ATOM 0 H LEU A 64 -0.775 6.722 -2.107 1.00 0.00 H new ATOM 0 HA LEU A 64 1.482 5.036 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.079 3.733 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.972 4.398 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.536 6.191 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.535 5.234 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.113 5.459 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.613 3.835 -6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.404 4.774 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.593 3.350 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.150 4.663 -3.468 1.00 0.00 H new ATOM 1011 N LYS A 65 1.178 7.514 -4.481 1.00 0.00 N ATOM 1012 CA LYS A 65 1.870 8.196 -5.566 1.00 0.00 C ATOM 1013 C LYS A 65 3.078 9.001 -5.072 1.00 0.00 C ATOM 1014 O LYS A 65 3.793 9.614 -5.857 1.00 0.00 O ATOM 1015 CB LYS A 65 0.925 9.042 -6.431 1.00 0.00 C ATOM 1016 CG LYS A 65 0.136 10.087 -5.684 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.722 10.898 -6.637 1.00 0.00 C ATOM 1018 CE LYS A 65 -1.543 11.935 -5.902 1.00 0.00 C ATOM 1019 NZ LYS A 65 -2.331 12.763 -6.826 1.00 0.00 N ATOM 0 H LYS A 65 0.525 8.090 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 65 2.260 7.412 -6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.512 9.537 -7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.227 8.375 -6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.496 9.607 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.816 10.748 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.085 11.391 -7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.386 10.231 -7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.212 11.438 -5.199 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.882 12.573 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.880 13.461 -6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.692 13.257 -7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.980 12.157 -7.368 1.00 0.00 H new ATOM 1033 N GLU A 66 3.328 8.960 -3.775 1.00 0.00 N ATOM 1034 CA GLU A 66 4.488 9.647 -3.191 1.00 0.00 C ATOM 1035 C GLU A 66 5.259 8.653 -2.337 1.00 0.00 C ATOM 1036 O GLU A 66 6.206 8.983 -1.616 1.00 0.00 O ATOM 1037 CB GLU A 66 4.069 10.862 -2.375 1.00 0.00 C ATOM 1038 CG GLU A 66 3.189 10.538 -1.200 1.00 0.00 C ATOM 1039 CD GLU A 66 2.786 11.773 -0.447 1.00 0.00 C ATOM 1040 OE1 GLU A 66 3.551 12.220 0.424 1.00 0.00 O ATOM 1041 OE2 GLU A 66 1.710 12.346 -0.724 1.00 0.00 O ATOM 0 H GLU A 66 2.749 8.461 -3.099 1.00 0.00 H new ATOM 0 HA GLU A 66 5.127 10.017 -3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.963 11.371 -2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.544 11.561 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.297 10.017 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.714 9.859 -0.529 1.00 0.00 H new ATOM 1048 N MET A 67 4.878 7.416 -2.520 1.00 0.00 N ATOM 1049 CA MET A 67 5.421 6.235 -1.868 1.00 0.00 C ATOM 1050 C MET A 67 6.909 6.124 -2.143 1.00 0.00 C ATOM 1051 O MET A 67 7.662 5.586 -1.358 1.00 0.00 O ATOM 1052 CB MET A 67 4.670 5.004 -2.395 1.00 0.00 C ATOM 1053 CG MET A 67 4.922 4.635 -3.872 1.00 0.00 C ATOM 1054 SD MET A 67 4.918 6.063 -5.040 1.00 0.00 S ATOM 1055 CE MET A 67 5.020 5.282 -6.646 1.00 0.00 C ATOM 0 H MET A 67 4.129 7.182 -3.172 1.00 0.00 H new ATOM 0 HA MET A 67 5.290 6.305 -0.788 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.939 4.148 -1.777 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.601 5.171 -2.261 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.883 4.127 -3.946 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.160 3.923 -4.189 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.577 5.936 -7.397 1.00 0.00 H new ATOM 0 HE2 MET A 67 6.065 5.099 -6.896 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.481 4.335 -6.625 1.00 0.00 H new ATOM 1065 N LYS A 68 7.283 6.699 -3.252 1.00 0.00 N ATOM 1066 CA LYS A 68 8.638 6.794 -3.745 1.00 0.00 C ATOM 1067 C LYS A 68 9.556 7.503 -2.744 1.00 0.00 C ATOM 1068 O LYS A 68 10.718 7.161 -2.623 1.00 0.00 O ATOM 1069 CB LYS A 68 8.605 7.514 -5.092 1.00 0.00 C ATOM 1070 CG LYS A 68 7.980 8.909 -5.036 1.00 0.00 C ATOM 1071 CD LYS A 68 7.655 9.459 -6.415 1.00 0.00 C ATOM 1072 CE LYS A 68 8.885 9.593 -7.293 1.00 0.00 C ATOM 1073 NZ LYS A 68 8.545 10.130 -8.630 1.00 0.00 N ATOM 0 H LYS A 68 6.611 7.143 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 68 9.053 5.794 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.623 7.598 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.048 6.906 -5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.068 8.871 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.664 9.590 -4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.934 8.803 -6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.179 10.434 -6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.608 10.250 -6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.363 8.619 -7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.409 10.208 -9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.874 9.490 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.112 11.070 -8.527 1.00 0.00 H new ATOM 1087 N MET A 69 9.026 8.477 -2.021 1.00 0.00 N ATOM 1088 CA MET A 69 9.814 9.135 -0.999 1.00 0.00 C ATOM 1089 C MET A 69 9.467 8.540 0.342 1.00 0.00 C ATOM 1090 O MET A 69 10.288 8.501 1.239 1.00 0.00 O ATOM 1091 CB MET A 69 9.604 10.666 -0.953 1.00 0.00 C ATOM 1092 CG MET A 69 8.194 11.111 -0.576 1.00 0.00 C ATOM 1093 SD MET A 69 8.052 12.883 -0.277 1.00 0.00 S ATOM 1094 CE MET A 69 8.620 13.544 -1.838 1.00 0.00 C ATOM 0 H MET A 69 8.072 8.822 -2.122 1.00 0.00 H new ATOM 0 HA MET A 69 10.863 8.972 -1.245 1.00 0.00 H new ATOM 0 HB2 MET A 69 10.307 11.093 -0.238 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.851 11.081 -1.930 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.508 10.830 -1.375 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.880 10.574 0.319 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.376 14.605 -1.894 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.700 13.415 -1.916 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.131 13.015 -2.656 1.00 0.00 H new ATOM 1104 N SER A 70 8.251 8.024 0.453 1.00 0.00 N ATOM 1105 CA SER A 70 7.764 7.475 1.698 1.00 0.00 C ATOM 1106 C SER A 70 8.582 6.246 2.076 1.00 0.00 C ATOM 1107 O SER A 70 8.946 6.070 3.237 1.00 0.00 O ATOM 1108 CB SER A 70 6.273 7.131 1.591 1.00 0.00 C ATOM 1109 OG SER A 70 5.724 6.798 2.852 1.00 0.00 O ATOM 0 H SER A 70 7.582 7.977 -0.316 1.00 0.00 H new ATOM 0 HA SER A 70 7.877 8.223 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.733 7.979 1.171 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.140 6.296 0.903 1.00 0.00 H new ATOM 0 HG SER A 70 4.773 6.586 2.749 1.00 0.00 H new ATOM 1115 N LEU A 71 8.902 5.419 1.077 1.00 0.00 N ATOM 1116 CA LEU A 71 9.710 4.227 1.282 1.00 0.00 C ATOM 1117 C LEU A 71 11.078 4.576 1.834 1.00 0.00 C ATOM 1118 O LEU A 71 11.683 3.804 2.575 1.00 0.00 O ATOM 1119 CB LEU A 71 9.858 3.485 -0.061 1.00 0.00 C ATOM 1120 CG LEU A 71 10.692 4.161 -1.203 1.00 0.00 C ATOM 1121 CD1 LEU A 71 12.184 3.884 -1.066 1.00 0.00 C ATOM 1122 CD2 LEU A 71 10.207 3.737 -2.583 1.00 0.00 C ATOM 0 H LEU A 71 8.607 5.561 0.111 1.00 0.00 H new ATOM 0 HA LEU A 71 9.212 3.588 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.306 2.513 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.856 3.298 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 71 10.537 5.235 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.721 4.372 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.540 4.272 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.360 2.809 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.810 4.227 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.300 2.656 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.163 4.024 -2.706 1.00 0.00 H new ATOM 1134 N GLU A 72 11.541 5.745 1.471 1.00 0.00 N ATOM 1135 CA GLU A 72 12.844 6.159 1.760 1.00 0.00 C ATOM 1136 C GLU A 72 12.952 6.739 3.154 1.00 0.00 C ATOM 1137 O GLU A 72 13.888 6.422 3.900 1.00 0.00 O ATOM 1138 CB GLU A 72 13.223 7.238 0.781 1.00 0.00 C ATOM 1139 CG GLU A 72 14.544 7.869 1.061 1.00 0.00 C ATOM 1140 CD GLU A 72 15.700 7.027 0.591 1.00 0.00 C ATOM 1141 OE1 GLU A 72 15.931 6.933 -0.630 1.00 0.00 O ATOM 1142 OE2 GLU A 72 16.391 6.424 1.437 1.00 0.00 O ATOM 0 H GLU A 72 10.992 6.433 0.956 1.00 0.00 H new ATOM 0 HA GLU A 72 13.501 5.292 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.239 6.815 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.453 8.010 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.587 8.843 0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.639 8.044 2.133 1.00 0.00 H new ATOM 1149 N LYS A 73 11.996 7.598 3.488 1.00 0.00 N ATOM 1150 CA LYS A 73 12.064 8.407 4.672 1.00 0.00 C ATOM 1151 C LYS A 73 12.072 7.549 5.927 1.00 0.00 C ATOM 1152 O LYS A 73 13.135 7.298 6.520 1.00 0.00 O ATOM 1153 CB LYS A 73 10.880 9.380 4.740 1.00 0.00 C ATOM 1154 CG LYS A 73 10.800 10.419 3.631 1.00 0.00 C ATOM 1155 CD LYS A 73 9.452 11.147 3.665 1.00 0.00 C ATOM 1156 CE LYS A 73 9.224 11.865 4.992 1.00 0.00 C ATOM 1157 NZ LYS A 73 7.887 12.485 5.068 1.00 0.00 N ATOM 0 H LYS A 73 11.152 7.744 2.934 1.00 0.00 H new ATOM 0 HA LYS A 73 12.995 8.972 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.958 8.799 4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.920 9.902 5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.611 11.139 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.933 9.936 2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.409 11.869 2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.648 10.430 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.341 11.156 5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.987 12.633 5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.777 12.961 5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.783 13.181 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.158 11.750 4.969 1.00 0.00 H new ATOM 1171 N ALA A 74 10.886 7.084 6.264 1.00 0.00 N ATOM 1172 CA ALA A 74 10.565 6.280 7.433 1.00 0.00 C ATOM 1173 C ALA A 74 9.058 6.351 7.575 1.00 0.00 C ATOM 1174 O ALA A 74 8.558 6.969 8.537 1.00 0.00 O ATOM 1175 CB ALA A 74 11.224 6.824 8.718 1.00 0.00 C ATOM 1176 OXT ALA A 74 8.371 5.921 6.647 1.00 0.00 O ATOM 0 H ALA A 74 10.063 7.269 5.691 1.00 0.00 H new ATOM 0 HA ALA A 74 10.935 5.263 7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.954 6.189 9.562 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.307 6.827 8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.877 7.841 8.903 1.00 0.00 H new TER 1182 ALA A 74