USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 688 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 42 THR OG1 : rot 180:sc= 0.0363 USER MOD Set 1.2: A 45 SER OG : rot 118:sc= 0.0199 USER MOD Set 2.1: A 11 THR OG1 : rot 94:sc= 0.268 USER MOD Set 2.2: A 14 THR OG1 : rot 34:sc= -0.532 USER MOD Set 3.1: A 10 THR OG1 : rot 99:sc= 0.0166 USER MOD Set 3.2: A 49 GLN : amide:sc= -4.05! C(o=-3.9!,f=-5!) USER MOD Set 3.3: A 80 HIS : no HD1:sc= 0.0858 X(o=-3.9,f=-4.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 127:sc= 1.16 (180deg=-0.0638) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 30:sc= -0.299 USER MOD Single : A 12 ASN : amide:sc= 0.394 K(o=0.39,f=-8.4!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 167:sc= -0.0405 (180deg=-0.295) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 29 ASN : amide:sc= -2.3! C(o=-2.3!,f=-3.4!) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= 0.823 (180deg=0.681) USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= 1.24 (180deg=0.683) USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= 0.449 (180deg=-0.471!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : A 46 MET CE :methyl -153:sc= -0.437 (180deg=-1.27) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.16) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.23) USER MOD Single : A 77 TYR OH : rot -154:sc= 1.19 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.0195 K(o=-0.02,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.805 3.596 -7.381 1.00 0.00 N ATOM 2 CA MET A 1 -19.479 2.181 -7.428 1.00 0.00 C ATOM 3 C MET A 1 -18.628 1.858 -6.233 1.00 0.00 C ATOM 4 O MET A 1 -17.587 2.488 -6.041 1.00 0.00 O ATOM 5 CB MET A 1 -18.668 1.828 -8.699 1.00 0.00 C ATOM 6 CG MET A 1 -19.315 2.178 -10.036 1.00 0.00 C ATOM 7 SD MET A 1 -19.463 3.957 -10.319 1.00 0.00 S ATOM 8 CE MET A 1 -20.215 3.965 -11.947 1.00 0.00 C ATOM 0 H1 MET A 1 -19.547 4.042 -8.285 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.825 3.712 -7.216 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.276 4.049 -6.608 1.00 0.00 H new ATOM 0 HA MET A 1 -20.408 1.611 -7.436 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.705 2.336 -8.642 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.464 0.757 -8.688 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.728 1.737 -10.842 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.306 1.727 -10.080 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.374 4.994 -12.269 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.557 3.461 -12.654 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.172 3.445 -11.908 1.00 0.00 H new ATOM 18 N THR A 2 -19.049 0.918 -5.414 1.00 0.00 N ATOM 19 CA THR A 2 -18.222 0.519 -4.321 1.00 0.00 C ATOM 20 C THR A 2 -17.138 -0.413 -4.868 1.00 0.00 C ATOM 21 O THR A 2 -17.413 -1.514 -5.368 1.00 0.00 O ATOM 22 CB THR A 2 -19.032 -0.116 -3.131 1.00 0.00 C ATOM 23 OG1 THR A 2 -18.151 -0.462 -2.047 1.00 0.00 O ATOM 24 CG2 THR A 2 -19.841 -1.344 -3.558 1.00 0.00 C ATOM 0 H THR A 2 -19.942 0.431 -5.490 1.00 0.00 H new ATOM 0 HA THR A 2 -17.758 1.401 -3.880 1.00 0.00 H new ATOM 0 HB THR A 2 -19.742 0.641 -2.797 1.00 0.00 H new ATOM 0 HG1 THR A 2 -18.671 -0.854 -1.315 1.00 0.00 H new ATOM 0 HG21 THR A 2 -20.380 -1.742 -2.698 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.553 -1.059 -4.333 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.167 -2.107 -3.948 1.00 0.00 H new ATOM 32 N GLU A 3 -15.928 0.036 -4.813 1.00 0.00 N ATOM 33 CA GLU A 3 -14.852 -0.667 -5.405 1.00 0.00 C ATOM 34 C GLU A 3 -13.866 -1.080 -4.368 1.00 0.00 C ATOM 35 O GLU A 3 -13.499 -0.293 -3.486 1.00 0.00 O ATOM 36 CB GLU A 3 -14.250 0.187 -6.500 1.00 0.00 C ATOM 37 CG GLU A 3 -13.119 -0.437 -7.268 1.00 0.00 C ATOM 38 CD GLU A 3 -12.734 0.425 -8.424 1.00 0.00 C ATOM 39 OE1 GLU A 3 -12.192 1.508 -8.206 1.00 0.00 O ATOM 40 OE2 GLU A 3 -12.979 0.021 -9.588 1.00 0.00 O ATOM 0 H GLU A 3 -15.662 0.906 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.205 -1.590 -5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.039 0.452 -7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.894 1.116 -6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.261 -0.580 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.415 -1.424 -7.625 1.00 0.00 H new ATOM 47 N VAL A 4 -13.461 -2.313 -4.453 1.00 0.00 N ATOM 48 CA VAL A 4 -12.581 -2.899 -3.500 1.00 0.00 C ATOM 49 C VAL A 4 -11.373 -3.499 -4.189 1.00 0.00 C ATOM 50 O VAL A 4 -11.401 -3.796 -5.388 1.00 0.00 O ATOM 51 CB VAL A 4 -13.288 -4.003 -2.639 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.446 -3.427 -1.832 1.00 0.00 C ATOM 53 CG2 VAL A 4 -13.772 -5.158 -3.510 1.00 0.00 C ATOM 0 H VAL A 4 -13.741 -2.946 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.265 -2.099 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.546 -4.388 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.912 -4.220 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.073 -2.654 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.182 -2.995 -2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.258 -5.907 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.483 -4.785 -4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.922 -5.609 -4.022 1.00 0.00 H new ATOM 63 N TYR A 5 -10.345 -3.651 -3.447 1.00 0.00 N ATOM 64 CA TYR A 5 -9.126 -4.264 -3.899 1.00 0.00 C ATOM 65 C TYR A 5 -8.909 -5.583 -3.194 1.00 0.00 C ATOM 66 O TYR A 5 -9.286 -5.745 -2.030 1.00 0.00 O ATOM 67 CB TYR A 5 -7.902 -3.326 -3.716 1.00 0.00 C ATOM 68 CG TYR A 5 -7.727 -2.750 -2.316 1.00 0.00 C ATOM 69 CD1 TYR A 5 -7.537 -3.567 -1.216 1.00 0.00 C ATOM 70 CD2 TYR A 5 -7.744 -1.393 -2.109 1.00 0.00 C ATOM 71 CE1 TYR A 5 -7.383 -3.058 0.039 1.00 0.00 C ATOM 72 CE2 TYR A 5 -7.584 -0.868 -0.850 1.00 0.00 C ATOM 73 CZ TYR A 5 -7.407 -1.712 0.223 1.00 0.00 C ATOM 74 OH TYR A 5 -7.261 -1.201 1.490 1.00 0.00 O ATOM 0 H TYR A 5 -10.312 -3.347 -2.474 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.226 -4.452 -4.968 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.000 -3.878 -3.980 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.989 -2.501 -4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -7.510 -4.638 -1.355 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.885 -0.728 -2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -7.243 -3.720 0.881 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.597 0.202 -0.703 1.00 0.00 H new ATOM 0 HH TYR A 5 -6.705 -1.806 2.025 1.00 0.00 H new ATOM 84 N ASP A 6 -8.407 -6.531 -3.910 1.00 0.00 N ATOM 85 CA ASP A 6 -7.998 -7.783 -3.326 1.00 0.00 C ATOM 86 C ASP A 6 -6.486 -7.710 -3.315 1.00 0.00 C ATOM 87 O ASP A 6 -5.857 -7.629 -4.388 1.00 0.00 O ATOM 88 CB ASP A 6 -8.401 -8.961 -4.218 1.00 0.00 C ATOM 89 CG ASP A 6 -9.862 -8.960 -4.641 1.00 0.00 C ATOM 90 OD1 ASP A 6 -10.707 -9.518 -3.924 1.00 0.00 O ATOM 91 OD2 ASP A 6 -10.179 -8.412 -5.731 1.00 0.00 O ATOM 0 H ASP A 6 -8.265 -6.469 -4.918 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.450 -7.931 -2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.777 -8.954 -5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.190 -9.890 -3.689 1.00 0.00 H new ATOM 96 N LEU A 7 -5.917 -7.692 -2.162 1.00 0.00 N ATOM 97 CA LEU A 7 -4.499 -7.551 -2.005 1.00 0.00 C ATOM 98 C LEU A 7 -3.902 -8.734 -1.313 1.00 0.00 C ATOM 99 O LEU A 7 -4.556 -9.402 -0.514 1.00 0.00 O ATOM 100 CB LEU A 7 -4.182 -6.341 -1.147 1.00 0.00 C ATOM 101 CG LEU A 7 -4.565 -4.971 -1.664 1.00 0.00 C ATOM 102 CD1 LEU A 7 -4.192 -3.931 -0.637 1.00 0.00 C ATOM 103 CD2 LEU A 7 -3.876 -4.672 -2.979 1.00 0.00 C ATOM 0 H LEU A 7 -6.426 -7.776 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.084 -7.451 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.671 -6.481 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.108 -6.338 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.641 -4.950 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.466 -2.942 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.723 -4.132 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.118 -3.966 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.170 -3.682 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.795 -4.702 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.166 -5.417 -3.720 1.00 0.00 H new ATOM 115 N GLU A 8 -2.666 -8.973 -1.601 1.00 0.00 N ATOM 116 CA GLU A 8 -1.898 -9.958 -0.913 1.00 0.00 C ATOM 117 C GLU A 8 -0.862 -9.207 -0.109 1.00 0.00 C ATOM 118 O GLU A 8 -0.098 -8.409 -0.650 1.00 0.00 O ATOM 119 CB GLU A 8 -1.263 -10.912 -1.901 1.00 0.00 C ATOM 120 CG GLU A 8 -0.533 -12.072 -1.272 1.00 0.00 C ATOM 121 CD GLU A 8 -0.003 -13.016 -2.307 1.00 0.00 C ATOM 122 OE1 GLU A 8 -0.795 -13.838 -2.838 1.00 0.00 O ATOM 123 OE2 GLU A 8 1.181 -12.948 -2.630 1.00 0.00 O ATOM 0 H GLU A 8 -2.152 -8.482 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.517 -10.567 -0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.039 -11.302 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.564 -10.356 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.291 -11.698 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.207 -12.606 -0.602 1.00 0.00 H new ATOM 130 N ILE A 9 -0.873 -9.420 1.161 1.00 0.00 N ATOM 131 CA ILE A 9 -0.039 -8.684 2.073 1.00 0.00 C ATOM 132 C ILE A 9 1.173 -9.504 2.445 1.00 0.00 C ATOM 133 O ILE A 9 1.064 -10.701 2.726 1.00 0.00 O ATOM 134 CB ILE A 9 -0.805 -8.338 3.385 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.163 -7.687 3.091 1.00 0.00 C ATOM 136 CG2 ILE A 9 0.033 -7.427 4.289 1.00 0.00 C ATOM 137 CD1 ILE A 9 -2.108 -6.413 2.285 1.00 0.00 C ATOM 0 H ILE A 9 -1.466 -10.118 1.611 1.00 0.00 H new ATOM 0 HA ILE A 9 0.258 -7.763 1.571 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.986 -9.277 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.785 -8.407 2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.659 -7.477 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.526 -7.202 5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.963 -7.931 4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.259 -6.500 3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.119 -6.035 2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.519 -5.669 2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.647 -6.614 1.318 1.00 0.00 H new ATOM 149 N THR A 10 2.297 -8.868 2.429 1.00 0.00 N ATOM 150 CA THR A 10 3.528 -9.443 2.847 1.00 0.00 C ATOM 151 C THR A 10 4.122 -8.577 3.914 1.00 0.00 C ATOM 152 O THR A 10 3.779 -7.401 4.027 1.00 0.00 O ATOM 153 CB THR A 10 4.531 -9.560 1.692 1.00 0.00 C ATOM 154 OG1 THR A 10 4.643 -8.301 1.004 1.00 0.00 O ATOM 155 CG2 THR A 10 4.149 -10.654 0.734 1.00 0.00 C ATOM 0 H THR A 10 2.385 -7.902 2.114 1.00 0.00 H new ATOM 0 HA THR A 10 3.324 -10.448 3.217 1.00 0.00 H new ATOM 0 HB THR A 10 5.501 -9.821 2.115 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.437 -7.824 1.323 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.883 -10.706 -0.070 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.121 -11.607 1.262 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.165 -10.443 0.314 1.00 0.00 H new ATOM 163 N THR A 11 4.988 -9.129 4.678 1.00 0.00 N ATOM 164 CA THR A 11 5.649 -8.424 5.710 1.00 0.00 C ATOM 165 C THR A 11 6.988 -9.105 5.852 1.00 0.00 C ATOM 166 O THR A 11 7.180 -10.213 5.358 1.00 0.00 O ATOM 167 CB THR A 11 4.903 -8.556 7.066 1.00 0.00 C ATOM 168 OG1 THR A 11 3.480 -8.529 6.877 1.00 0.00 O ATOM 169 CG2 THR A 11 5.275 -7.426 8.025 1.00 0.00 C ATOM 0 H THR A 11 5.264 -10.108 4.601 1.00 0.00 H new ATOM 0 HA THR A 11 5.711 -7.363 5.467 1.00 0.00 H new ATOM 0 HB THR A 11 5.206 -9.512 7.493 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.142 -9.446 6.803 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.734 -7.552 8.963 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.347 -7.451 8.219 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.010 -6.468 7.579 1.00 0.00 H new ATOM 177 N ASN A 12 7.869 -8.479 6.508 1.00 0.00 N ATOM 178 CA ASN A 12 9.189 -9.011 6.760 1.00 0.00 C ATOM 179 C ASN A 12 9.131 -9.990 7.925 1.00 0.00 C ATOM 180 O ASN A 12 9.956 -10.907 8.045 1.00 0.00 O ATOM 181 CB ASN A 12 10.174 -7.875 7.078 1.00 0.00 C ATOM 182 CG ASN A 12 9.813 -7.063 8.327 1.00 0.00 C ATOM 183 OD1 ASN A 12 8.635 -6.882 8.656 1.00 0.00 O ATOM 184 ND2 ASN A 12 10.812 -6.583 9.022 1.00 0.00 N ATOM 0 H ASN A 12 7.716 -7.553 6.908 1.00 0.00 H new ATOM 0 HA ASN A 12 9.537 -9.531 5.867 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.170 -8.298 7.209 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.224 -7.202 6.222 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.631 -6.039 9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.771 -6.753 8.720 1.00 0.00 H new ATOM 191 N ALA A 13 8.144 -9.783 8.776 1.00 0.00 N ATOM 192 CA ALA A 13 7.932 -10.596 9.936 1.00 0.00 C ATOM 193 C ALA A 13 7.081 -11.821 9.617 1.00 0.00 C ATOM 194 O ALA A 13 7.176 -12.842 10.289 1.00 0.00 O ATOM 195 CB ALA A 13 7.288 -9.771 11.030 1.00 0.00 C ATOM 0 H ALA A 13 7.462 -9.032 8.670 1.00 0.00 H new ATOM 0 HA ALA A 13 8.902 -10.955 10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.129 -10.394 11.910 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.941 -8.937 11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.330 -9.387 10.680 1.00 0.00 H new ATOM 201 N THR A 14 6.256 -11.725 8.598 1.00 0.00 N ATOM 202 CA THR A 14 5.403 -12.825 8.239 1.00 0.00 C ATOM 203 C THR A 14 5.977 -13.580 7.062 1.00 0.00 C ATOM 204 O THR A 14 6.476 -12.978 6.110 1.00 0.00 O ATOM 205 CB THR A 14 3.961 -12.356 7.909 1.00 0.00 C ATOM 206 OG1 THR A 14 3.989 -11.370 6.860 1.00 0.00 O ATOM 207 CG2 THR A 14 3.290 -11.768 9.142 1.00 0.00 C ATOM 0 H THR A 14 6.161 -10.898 8.008 1.00 0.00 H new ATOM 0 HA THR A 14 5.352 -13.487 9.103 1.00 0.00 H new ATOM 0 HB THR A 14 3.389 -13.222 7.577 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.714 -11.578 6.234 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.280 -11.446 8.888 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.243 -12.524 9.926 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.865 -10.913 9.496 1.00 0.00 H new ATOM 215 N ASP A 15 5.937 -14.875 7.130 1.00 0.00 N ATOM 216 CA ASP A 15 6.400 -15.696 6.031 1.00 0.00 C ATOM 217 C ASP A 15 5.223 -16.026 5.153 1.00 0.00 C ATOM 218 O ASP A 15 5.325 -16.060 3.928 1.00 0.00 O ATOM 219 CB ASP A 15 7.044 -16.980 6.548 1.00 0.00 C ATOM 220 CG ASP A 15 7.612 -17.835 5.435 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.721 -17.519 4.944 1.00 0.00 O ATOM 222 OD2 ASP A 15 6.982 -18.848 5.055 1.00 0.00 O ATOM 0 H ASP A 15 5.589 -15.397 7.934 1.00 0.00 H new ATOM 0 HA ASP A 15 7.152 -15.150 5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.840 -16.727 7.249 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.303 -17.556 7.102 1.00 0.00 H new ATOM 227 N PHE A 16 4.092 -16.224 5.801 1.00 0.00 N ATOM 228 CA PHE A 16 2.858 -16.556 5.139 1.00 0.00 C ATOM 229 C PHE A 16 2.130 -15.270 4.722 1.00 0.00 C ATOM 230 O PHE A 16 1.779 -14.446 5.579 1.00 0.00 O ATOM 231 CB PHE A 16 1.985 -17.391 6.095 1.00 0.00 C ATOM 232 CG PHE A 16 0.691 -17.900 5.515 1.00 0.00 C ATOM 233 CD1 PHE A 16 0.675 -19.030 4.713 1.00 0.00 C ATOM 234 CD2 PHE A 16 -0.508 -17.258 5.781 1.00 0.00 C ATOM 235 CE1 PHE A 16 -0.507 -19.505 4.185 1.00 0.00 C ATOM 236 CE2 PHE A 16 -1.695 -17.730 5.257 1.00 0.00 C ATOM 237 CZ PHE A 16 -1.696 -18.855 4.459 1.00 0.00 C ATOM 0 H PHE A 16 4.009 -16.157 6.815 1.00 0.00 H new ATOM 0 HA PHE A 16 3.061 -17.140 4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.569 -18.244 6.440 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.756 -16.786 6.972 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.600 -19.545 4.499 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.514 -16.377 6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.504 -20.384 3.558 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.622 -17.219 5.472 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.623 -19.227 4.049 1.00 0.00 H new ATOM 247 N PRO A 17 1.946 -15.057 3.407 1.00 0.00 N ATOM 248 CA PRO A 17 1.224 -13.896 2.886 1.00 0.00 C ATOM 249 C PRO A 17 -0.266 -13.955 3.239 1.00 0.00 C ATOM 250 O PRO A 17 -0.861 -15.038 3.319 1.00 0.00 O ATOM 251 CB PRO A 17 1.405 -13.997 1.360 1.00 0.00 C ATOM 252 CG PRO A 17 2.501 -14.985 1.160 1.00 0.00 C ATOM 253 CD PRO A 17 2.438 -15.918 2.328 1.00 0.00 C ATOM 0 HA PRO A 17 1.600 -12.963 3.306 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.486 -14.326 0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.664 -13.030 0.930 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.372 -15.525 0.222 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.470 -14.488 1.111 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.766 -16.755 2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.415 -16.340 2.561 1.00 0.00 H new ATOM 261 N MET A 18 -0.862 -12.811 3.423 1.00 0.00 N ATOM 262 CA MET A 18 -2.257 -12.728 3.820 1.00 0.00 C ATOM 263 C MET A 18 -3.035 -12.092 2.701 1.00 0.00 C ATOM 264 O MET A 18 -2.464 -11.390 1.890 1.00 0.00 O ATOM 265 CB MET A 18 -2.401 -11.873 5.089 1.00 0.00 C ATOM 266 CG MET A 18 -1.615 -12.379 6.291 1.00 0.00 C ATOM 267 SD MET A 18 -2.125 -14.018 6.844 1.00 0.00 S ATOM 268 CE MET A 18 -0.959 -14.269 8.185 1.00 0.00 C ATOM 0 H MET A 18 -0.405 -11.907 3.305 1.00 0.00 H new ATOM 0 HA MET A 18 -2.636 -13.729 4.028 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.079 -10.856 4.864 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.456 -11.821 5.358 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.555 -12.403 6.038 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.731 -11.674 7.114 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.135 -15.243 8.642 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.058 -14.229 7.795 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.091 -13.488 8.933 1.00 0.00 H new ATOM 278 N GLU A 19 -4.304 -12.337 2.630 1.00 0.00 N ATOM 279 CA GLU A 19 -5.110 -11.714 1.609 1.00 0.00 C ATOM 280 C GLU A 19 -6.112 -10.776 2.240 1.00 0.00 C ATOM 281 O GLU A 19 -6.808 -11.138 3.198 1.00 0.00 O ATOM 282 CB GLU A 19 -5.771 -12.748 0.706 1.00 0.00 C ATOM 283 CG GLU A 19 -6.660 -13.736 1.423 1.00 0.00 C ATOM 284 CD GLU A 19 -7.195 -14.780 0.499 1.00 0.00 C ATOM 285 OE1 GLU A 19 -8.204 -14.535 -0.176 1.00 0.00 O ATOM 286 OE2 GLU A 19 -6.614 -15.883 0.433 1.00 0.00 O ATOM 0 H GLU A 19 -4.810 -12.960 3.260 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.459 -11.122 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.363 -12.227 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.993 -13.298 0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.097 -14.215 2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.490 -13.205 1.889 1.00 0.00 H new ATOM 293 N LYS A 20 -6.162 -9.573 1.743 1.00 0.00 N ATOM 294 CA LYS A 20 -7.024 -8.587 2.268 1.00 0.00 C ATOM 295 C LYS A 20 -7.864 -7.974 1.165 1.00 0.00 C ATOM 296 O LYS A 20 -7.347 -7.590 0.124 1.00 0.00 O ATOM 297 CB LYS A 20 -6.204 -7.495 2.926 1.00 0.00 C ATOM 298 CG LYS A 20 -5.324 -7.932 4.098 1.00 0.00 C ATOM 299 CD LYS A 20 -6.102 -8.540 5.249 1.00 0.00 C ATOM 300 CE LYS A 20 -5.158 -8.949 6.378 1.00 0.00 C ATOM 301 NZ LYS A 20 -5.868 -9.570 7.509 1.00 0.00 N ATOM 0 H LYS A 20 -5.595 -9.259 0.955 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.682 -9.056 3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.566 -7.040 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.884 -6.719 3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.593 -8.658 3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.766 -7.070 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.833 -7.822 5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.659 -9.410 4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.416 -9.647 5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.617 -8.071 6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.184 -9.829 8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.559 -8.896 7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.364 -10.424 7.181 1.00 0.00 H new ATOM 315 N LYS A 21 -9.133 -7.900 1.399 1.00 0.00 N ATOM 316 CA LYS A 21 -10.059 -7.282 0.506 1.00 0.00 C ATOM 317 C LYS A 21 -10.665 -6.062 1.211 1.00 0.00 C ATOM 318 O LYS A 21 -11.353 -6.209 2.227 1.00 0.00 O ATOM 319 CB LYS A 21 -11.153 -8.296 0.169 1.00 0.00 C ATOM 320 CG LYS A 21 -12.208 -7.818 -0.816 1.00 0.00 C ATOM 321 CD LYS A 21 -13.291 -8.880 -1.024 1.00 0.00 C ATOM 322 CE LYS A 21 -12.716 -10.193 -1.558 1.00 0.00 C ATOM 323 NZ LYS A 21 -13.763 -11.216 -1.760 1.00 0.00 N ATOM 0 H LYS A 21 -9.567 -8.279 2.241 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.568 -6.962 -0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.682 -9.191 -0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.650 -8.588 1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.663 -6.898 -0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.738 -7.582 -1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.801 -9.066 -0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.039 -8.502 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.204 -10.007 -2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.969 -10.572 -0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.330 -12.089 -2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.235 -11.414 -0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.462 -10.866 -2.446 1.00 0.00 H new ATOM 337 N TYR A 22 -10.403 -4.879 0.689 1.00 0.00 N ATOM 338 CA TYR A 22 -10.915 -3.627 1.266 1.00 0.00 C ATOM 339 C TYR A 22 -11.187 -2.618 0.149 1.00 0.00 C ATOM 340 O TYR A 22 -10.648 -2.754 -0.936 1.00 0.00 O ATOM 341 CB TYR A 22 -9.911 -3.003 2.276 1.00 0.00 C ATOM 342 CG TYR A 22 -9.629 -3.803 3.526 1.00 0.00 C ATOM 343 CD1 TYR A 22 -10.557 -3.865 4.554 1.00 0.00 C ATOM 344 CD2 TYR A 22 -8.433 -4.489 3.683 1.00 0.00 C ATOM 345 CE1 TYR A 22 -10.303 -4.586 5.701 1.00 0.00 C ATOM 346 CE2 TYR A 22 -8.174 -5.210 4.829 1.00 0.00 C ATOM 347 CZ TYR A 22 -9.110 -5.255 5.831 1.00 0.00 C ATOM 348 OH TYR A 22 -8.853 -5.980 6.972 1.00 0.00 O ATOM 0 H TYR A 22 -9.831 -4.747 -0.145 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.836 -3.863 1.800 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.967 -2.834 1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.290 -2.026 2.574 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.495 -3.339 4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.694 -4.458 2.896 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.037 -4.625 6.492 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.238 -5.737 4.938 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.967 -6.393 6.905 1.00 0.00 H new ATOM 358 N PRO A 23 -12.055 -1.616 0.393 1.00 0.00 N ATOM 359 CA PRO A 23 -12.367 -0.551 -0.582 1.00 0.00 C ATOM 360 C PRO A 23 -11.136 0.194 -1.109 1.00 0.00 C ATOM 361 O PRO A 23 -10.275 0.612 -0.338 1.00 0.00 O ATOM 362 CB PRO A 23 -13.237 0.431 0.208 1.00 0.00 C ATOM 363 CG PRO A 23 -13.161 -0.003 1.632 1.00 0.00 C ATOM 364 CD PRO A 23 -12.854 -1.460 1.617 1.00 0.00 C ATOM 0 HA PRO A 23 -12.840 -0.982 -1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.875 1.453 0.092 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.266 0.415 -0.150 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.388 0.550 2.165 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.103 0.189 2.146 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.298 -1.765 2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.761 -2.064 1.587 1.00 0.00 H new ATOM 372 N ALA A 24 -11.096 0.399 -2.426 1.00 0.00 N ATOM 373 CA ALA A 24 -9.985 1.117 -3.065 1.00 0.00 C ATOM 374 C ALA A 24 -10.077 2.616 -2.811 1.00 0.00 C ATOM 375 O ALA A 24 -9.099 3.353 -2.947 1.00 0.00 O ATOM 376 CB ALA A 24 -9.936 0.800 -4.554 1.00 0.00 C ATOM 0 H ALA A 24 -11.817 0.080 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.052 0.775 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.108 1.339 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.793 -0.272 -4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.872 1.105 -5.022 1.00 0.00 H new ATOM 382 N GLY A 25 -11.245 3.049 -2.411 1.00 0.00 N ATOM 383 CA GLY A 25 -11.466 4.446 -2.115 1.00 0.00 C ATOM 384 C GLY A 25 -11.008 4.809 -0.715 1.00 0.00 C ATOM 385 O GLY A 25 -10.977 5.980 -0.350 1.00 0.00 O ATOM 0 H GLY A 25 -12.063 2.453 -2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.933 5.059 -2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.526 4.676 -2.221 1.00 0.00 H new ATOM 389 N MET A 26 -10.655 3.804 0.071 1.00 0.00 N ATOM 390 CA MET A 26 -10.173 4.030 1.427 1.00 0.00 C ATOM 391 C MET A 26 -8.737 4.606 1.397 1.00 0.00 C ATOM 392 O MET A 26 -8.018 4.450 0.403 1.00 0.00 O ATOM 393 CB MET A 26 -10.248 2.723 2.246 1.00 0.00 C ATOM 394 CG MET A 26 -9.828 2.857 3.703 1.00 0.00 C ATOM 395 SD MET A 26 -10.806 4.084 4.613 1.00 0.00 S ATOM 396 CE MET A 26 -12.453 3.368 4.520 1.00 0.00 C ATOM 0 H MET A 26 -10.693 2.823 -0.206 1.00 0.00 H new ATOM 0 HA MET A 26 -10.813 4.764 1.917 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.270 2.347 2.210 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.616 1.975 1.768 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.924 1.888 4.193 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.775 3.134 3.748 1.00 0.00 H new ATOM 0 HE1 MET A 26 -13.112 3.880 5.221 1.00 0.00 H new ATOM 0 HE2 MET A 26 -12.842 3.480 3.508 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.404 2.309 4.775 1.00 0.00 H new ATOM 406 N SER A 27 -8.345 5.273 2.465 1.00 0.00 N ATOM 407 CA SER A 27 -7.052 5.910 2.562 1.00 0.00 C ATOM 408 C SER A 27 -5.959 4.950 3.003 1.00 0.00 C ATOM 409 O SER A 27 -6.213 3.939 3.671 1.00 0.00 O ATOM 410 CB SER A 27 -7.137 7.069 3.545 1.00 0.00 C ATOM 411 OG SER A 27 -7.676 6.636 4.781 1.00 0.00 O ATOM 0 H SER A 27 -8.924 5.387 3.297 1.00 0.00 H new ATOM 0 HA SER A 27 -6.786 6.266 1.567 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.145 7.492 3.703 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.759 7.861 3.128 1.00 0.00 H new ATOM 0 HG SER A 27 -7.722 7.393 5.401 1.00 0.00 H new ATOM 417 N LEU A 28 -4.744 5.288 2.623 1.00 0.00 N ATOM 418 CA LEU A 28 -3.548 4.563 3.019 1.00 0.00 C ATOM 419 C LEU A 28 -3.379 4.609 4.525 1.00 0.00 C ATOM 420 O LEU A 28 -2.914 3.653 5.152 1.00 0.00 O ATOM 421 CB LEU A 28 -2.376 5.209 2.283 1.00 0.00 C ATOM 422 CG LEU A 28 -0.945 4.645 2.432 1.00 0.00 C ATOM 423 CD1 LEU A 28 -0.290 5.124 3.700 1.00 0.00 C ATOM 424 CD2 LEU A 28 -0.959 3.129 2.394 1.00 0.00 C ATOM 0 H LEU A 28 -4.554 6.088 2.020 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.610 3.508 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.617 5.195 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.342 6.255 2.588 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.360 5.015 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.715 4.707 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.231 6.212 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.878 4.800 4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.059 2.753 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.573 2.750 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.372 2.793 1.443 1.00 0.00 H new ATOM 436 N ASN A 29 -3.786 5.705 5.089 1.00 0.00 N ATOM 437 CA ASN A 29 -3.699 5.915 6.544 1.00 0.00 C ATOM 438 C ASN A 29 -4.555 4.947 7.313 1.00 0.00 C ATOM 439 O ASN A 29 -4.200 4.554 8.428 1.00 0.00 O ATOM 440 CB ASN A 29 -3.985 7.367 6.939 1.00 0.00 C ATOM 441 CG ASN A 29 -2.892 8.310 6.470 1.00 0.00 C ATOM 442 OD1 ASN A 29 -1.735 7.916 6.348 1.00 0.00 O ATOM 443 ND2 ASN A 29 -3.240 9.544 6.204 1.00 0.00 N ATOM 0 H ASN A 29 -4.189 6.489 4.577 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.665 5.710 6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.939 7.677 6.513 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.083 7.435 8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.540 10.213 5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.211 9.836 6.317 1.00 0.00 H new ATOM 450 N ASP A 30 -5.653 4.526 6.714 1.00 0.00 N ATOM 451 CA ASP A 30 -6.552 3.572 7.352 1.00 0.00 C ATOM 452 C ASP A 30 -5.948 2.193 7.297 1.00 0.00 C ATOM 453 O ASP A 30 -6.064 1.415 8.230 1.00 0.00 O ATOM 454 CB ASP A 30 -7.883 3.543 6.633 1.00 0.00 C ATOM 455 CG ASP A 30 -8.946 2.737 7.374 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.575 3.284 8.307 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.183 1.566 7.040 1.00 0.00 O ATOM 0 H ASP A 30 -5.948 4.828 5.785 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.702 3.878 8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.239 4.564 6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.743 3.120 5.638 1.00 0.00 H new ATOM 462 N LEU A 31 -5.253 1.922 6.211 1.00 0.00 N ATOM 463 CA LEU A 31 -4.661 0.611 5.970 1.00 0.00 C ATOM 464 C LEU A 31 -3.538 0.441 6.979 1.00 0.00 C ATOM 465 O LEU A 31 -3.405 -0.610 7.605 1.00 0.00 O ATOM 466 CB LEU A 31 -4.128 0.558 4.511 1.00 0.00 C ATOM 467 CG LEU A 31 -3.881 -0.833 3.849 1.00 0.00 C ATOM 468 CD1 LEU A 31 -3.381 -0.664 2.426 1.00 0.00 C ATOM 469 CD2 LEU A 31 -2.908 -1.679 4.627 1.00 0.00 C ATOM 0 H LEU A 31 -5.080 2.599 5.468 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.385 -0.195 6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.833 1.102 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.187 1.108 4.484 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.840 -1.351 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.214 -1.645 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.124 -0.121 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.445 -0.105 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.773 -2.636 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.949 -1.164 4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.297 -1.850 5.631 1.00 0.00 H new ATOM 481 N LYS A 32 -2.750 1.496 7.159 1.00 0.00 N ATOM 482 CA LYS A 32 -1.715 1.495 8.150 1.00 0.00 C ATOM 483 C LYS A 32 -2.291 1.344 9.517 1.00 0.00 C ATOM 484 O LYS A 32 -1.755 0.667 10.287 1.00 0.00 O ATOM 485 CB LYS A 32 -0.966 2.773 8.107 1.00 0.00 C ATOM 486 CG LYS A 32 -0.264 3.029 6.818 1.00 0.00 C ATOM 487 CD LYS A 32 0.408 4.376 6.863 1.00 0.00 C ATOM 488 CE LYS A 32 1.337 4.538 8.048 1.00 0.00 C ATOM 489 NZ LYS A 32 2.551 3.678 7.991 1.00 0.00 N ATOM 0 H LYS A 32 -2.820 2.360 6.621 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.052 0.657 7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.658 3.593 8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.233 2.778 8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.475 2.249 6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.975 2.994 5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.973 4.524 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.354 5.154 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.647 5.581 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.787 4.311 8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.229 3.985 8.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.284 2.688 8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.990 3.759 7.052 1.00 0.00 H new ATOM 503 N LYS A 33 -3.399 2.004 9.788 1.00 0.00 N ATOM 504 CA LYS A 33 -4.050 1.948 11.082 1.00 0.00 C ATOM 505 C LYS A 33 -4.537 0.515 11.377 1.00 0.00 C ATOM 506 O LYS A 33 -4.502 0.050 12.514 1.00 0.00 O ATOM 507 CB LYS A 33 -5.222 2.932 11.054 1.00 0.00 C ATOM 508 CG LYS A 33 -5.838 3.222 12.391 1.00 0.00 C ATOM 509 CD LYS A 33 -4.793 3.760 13.347 1.00 0.00 C ATOM 510 CE LYS A 33 -4.088 5.008 12.815 1.00 0.00 C ATOM 511 NZ LYS A 33 -3.035 5.469 13.744 1.00 0.00 N ATOM 0 H LYS A 33 -3.877 2.599 9.111 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.353 2.221 11.875 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.879 3.870 10.618 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.993 2.536 10.393 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.644 3.947 12.278 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.281 2.314 12.799 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.266 3.995 14.300 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.052 2.985 13.541 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.648 4.792 11.842 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.817 5.804 12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.836 6.475 13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.358 5.343 14.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.169 4.914 13.590 1.00 0.00 H new ATOM 525 N LYS A 34 -4.976 -0.165 10.353 1.00 0.00 N ATOM 526 CA LYS A 34 -5.394 -1.524 10.444 1.00 0.00 C ATOM 527 C LYS A 34 -4.185 -2.448 10.619 1.00 0.00 C ATOM 528 O LYS A 34 -4.201 -3.360 11.437 1.00 0.00 O ATOM 529 CB LYS A 34 -6.217 -1.859 9.200 1.00 0.00 C ATOM 530 CG LYS A 34 -7.735 -1.715 9.341 1.00 0.00 C ATOM 531 CD LYS A 34 -8.152 -0.287 9.678 1.00 0.00 C ATOM 532 CE LYS A 34 -9.661 -0.148 9.786 1.00 0.00 C ATOM 533 NZ LYS A 34 -10.064 1.256 10.042 1.00 0.00 N ATOM 0 H LYS A 34 -5.052 0.226 9.414 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.021 -1.675 11.323 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.885 -1.216 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.995 -2.885 8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.215 -2.021 8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.091 -2.389 10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.692 0.013 10.619 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.779 0.391 8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.126 -0.498 8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.029 -0.785 10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.997 1.271 10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.364 1.710 10.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.114 1.773 9.141 1.00 0.00 H new ATOM 547 N LEU A 35 -3.143 -2.190 9.869 1.00 0.00 N ATOM 548 CA LEU A 35 -1.913 -2.927 9.989 1.00 0.00 C ATOM 549 C LEU A 35 -1.162 -2.584 11.275 1.00 0.00 C ATOM 550 O LEU A 35 -0.429 -3.401 11.806 1.00 0.00 O ATOM 551 CB LEU A 35 -1.056 -2.769 8.740 1.00 0.00 C ATOM 552 CG LEU A 35 -1.489 -3.587 7.506 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.487 -3.441 6.376 1.00 0.00 C ATOM 554 CD2 LEU A 35 -1.681 -5.062 7.856 1.00 0.00 C ATOM 0 H LEU A 35 -3.125 -1.460 9.156 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.164 -3.985 10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.044 -1.714 8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.032 -3.044 8.991 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.447 -3.189 7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.817 -4.028 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.411 -2.392 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.488 -3.798 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.986 -5.611 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.743 -5.472 8.231 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.451 -5.157 8.622 1.00 0.00 H new ATOM 566 N GLU A 36 -1.366 -1.380 11.752 1.00 0.00 N ATOM 567 CA GLU A 36 -0.839 -0.875 13.020 1.00 0.00 C ATOM 568 C GLU A 36 -1.318 -1.806 14.126 1.00 0.00 C ATOM 569 O GLU A 36 -0.587 -2.154 15.047 1.00 0.00 O ATOM 570 CB GLU A 36 -1.419 0.549 13.238 1.00 0.00 C ATOM 571 CG GLU A 36 -0.892 1.317 14.423 1.00 0.00 C ATOM 572 CD GLU A 36 -1.550 2.665 14.594 1.00 0.00 C ATOM 573 OE1 GLU A 36 -1.077 3.665 14.012 1.00 0.00 O ATOM 574 OE2 GLU A 36 -2.547 2.757 15.330 1.00 0.00 O ATOM 0 H GLU A 36 -1.926 -0.688 11.255 1.00 0.00 H new ATOM 0 HA GLU A 36 0.250 -0.834 13.020 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.229 1.136 12.339 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.501 0.464 13.340 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.044 0.728 15.327 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.183 1.456 14.310 1.00 0.00 H new ATOM 581 N LEU A 37 -2.546 -2.241 13.972 1.00 0.00 N ATOM 582 CA LEU A 37 -3.200 -3.136 14.898 1.00 0.00 C ATOM 583 C LEU A 37 -2.665 -4.578 14.743 1.00 0.00 C ATOM 584 O LEU A 37 -2.597 -5.336 15.708 1.00 0.00 O ATOM 585 CB LEU A 37 -4.714 -3.111 14.629 1.00 0.00 C ATOM 586 CG LEU A 37 -5.606 -3.905 15.593 1.00 0.00 C ATOM 587 CD1 LEU A 37 -5.492 -3.365 17.013 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.050 -3.877 15.120 1.00 0.00 C ATOM 0 H LEU A 37 -3.132 -1.976 13.181 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.994 -2.806 15.916 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.043 -2.072 14.641 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.885 -3.488 13.621 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.264 -4.940 15.601 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.134 -3.945 17.676 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.458 -3.443 17.350 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.802 -2.320 17.031 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.671 -4.444 15.813 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.400 -2.845 15.080 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.116 -4.321 14.127 1.00 0.00 H new ATOM 600 N VAL A 38 -2.293 -4.940 13.533 1.00 0.00 N ATOM 601 CA VAL A 38 -1.835 -6.297 13.247 1.00 0.00 C ATOM 602 C VAL A 38 -0.344 -6.472 13.569 1.00 0.00 C ATOM 603 O VAL A 38 0.067 -7.479 14.153 1.00 0.00 O ATOM 604 CB VAL A 38 -2.084 -6.667 11.755 1.00 0.00 C ATOM 605 CG1 VAL A 38 -1.614 -8.083 11.445 1.00 0.00 C ATOM 606 CG2 VAL A 38 -3.554 -6.510 11.399 1.00 0.00 C ATOM 0 H VAL A 38 -2.296 -4.317 12.725 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.411 -6.966 13.887 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.500 -5.978 11.145 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.803 -8.308 10.395 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.546 -8.164 11.647 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.156 -8.792 12.071 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.705 -6.774 10.352 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.153 -7.168 12.029 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.859 -5.476 11.560 1.00 0.00 H new ATOM 616 N VAL A 39 0.447 -5.494 13.217 1.00 0.00 N ATOM 617 CA VAL A 39 1.880 -5.581 13.398 1.00 0.00 C ATOM 618 C VAL A 39 2.299 -5.011 14.754 1.00 0.00 C ATOM 619 O VAL A 39 3.305 -5.430 15.326 1.00 0.00 O ATOM 620 CB VAL A 39 2.649 -4.866 12.241 1.00 0.00 C ATOM 621 CG1 VAL A 39 4.154 -5.086 12.357 1.00 0.00 C ATOM 622 CG2 VAL A 39 2.152 -5.349 10.881 1.00 0.00 C ATOM 0 H VAL A 39 0.125 -4.620 12.800 1.00 0.00 H new ATOM 0 HA VAL A 39 2.146 -6.638 13.373 1.00 0.00 H new ATOM 0 HB VAL A 39 2.453 -3.797 12.328 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.660 -4.576 11.538 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.508 -4.686 13.307 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.370 -6.153 12.309 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.701 -4.838 10.090 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.311 -6.424 10.796 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.089 -5.130 10.784 1.00 0.00 H new ATOM 632 N GLY A 40 1.516 -4.079 15.284 1.00 0.00 N ATOM 633 CA GLY A 40 1.852 -3.495 16.567 1.00 0.00 C ATOM 634 C GLY A 40 2.739 -2.276 16.423 1.00 0.00 C ATOM 635 O GLY A 40 2.995 -1.564 17.398 1.00 0.00 O ATOM 0 H GLY A 40 0.664 -3.721 14.853 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.937 -3.217 17.089 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.357 -4.239 17.183 1.00 0.00 H new ATOM 639 N THR A 41 3.207 -2.041 15.220 1.00 0.00 N ATOM 640 CA THR A 41 4.038 -0.916 14.921 1.00 0.00 C ATOM 641 C THR A 41 3.227 0.356 14.867 1.00 0.00 C ATOM 642 O THR A 41 2.048 0.325 14.530 1.00 0.00 O ATOM 643 CB THR A 41 4.707 -1.127 13.571 1.00 0.00 C ATOM 644 OG1 THR A 41 3.724 -1.583 12.615 1.00 0.00 O ATOM 645 CG2 THR A 41 5.855 -2.109 13.673 1.00 0.00 C ATOM 0 H THR A 41 3.014 -2.638 14.416 1.00 0.00 H new ATOM 0 HA THR A 41 4.786 -0.825 15.708 1.00 0.00 H new ATOM 0 HB THR A 41 5.123 -0.178 13.234 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.153 -1.718 11.744 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.312 -2.238 12.692 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.599 -1.728 14.372 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.482 -3.069 14.028 1.00 0.00 H new ATOM 653 N THR A 42 3.845 1.450 15.204 1.00 0.00 N ATOM 654 CA THR A 42 3.215 2.730 15.124 1.00 0.00 C ATOM 655 C THR A 42 3.299 3.267 13.677 1.00 0.00 C ATOM 656 O THR A 42 3.893 2.616 12.808 1.00 0.00 O ATOM 657 CB THR A 42 3.869 3.688 16.126 1.00 0.00 C ATOM 658 OG1 THR A 42 5.286 3.612 15.977 1.00 0.00 O ATOM 659 CG2 THR A 42 3.499 3.319 17.552 1.00 0.00 C ATOM 0 H THR A 42 4.806 1.477 15.544 1.00 0.00 H new ATOM 0 HA THR A 42 2.160 2.642 15.383 1.00 0.00 H new ATOM 0 HB THR A 42 3.515 4.699 15.927 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.715 4.222 16.612 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.976 4.014 18.243 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.417 3.372 17.673 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.838 2.305 17.765 1.00 0.00 H new ATOM 667 N VAL A 43 2.739 4.444 13.433 1.00 0.00 N ATOM 668 CA VAL A 43 2.634 5.001 12.070 1.00 0.00 C ATOM 669 C VAL A 43 3.983 5.190 11.362 1.00 0.00 C ATOM 670 O VAL A 43 4.138 4.735 10.215 1.00 0.00 O ATOM 671 CB VAL A 43 1.854 6.354 12.058 1.00 0.00 C ATOM 672 CG1 VAL A 43 1.763 6.939 10.654 1.00 0.00 C ATOM 673 CG2 VAL A 43 0.469 6.182 12.638 1.00 0.00 C ATOM 0 H VAL A 43 2.345 5.043 14.159 1.00 0.00 H new ATOM 0 HA VAL A 43 2.080 4.248 11.511 1.00 0.00 H new ATOM 0 HB VAL A 43 2.413 7.053 12.680 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.213 7.880 10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.767 7.118 10.269 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.244 6.238 10.001 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.055 7.138 12.619 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.085 5.453 12.047 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.546 5.831 13.667 1.00 0.00 H new ATOM 683 N ASP A 44 4.953 5.800 12.020 1.00 0.00 N ATOM 684 CA ASP A 44 6.241 6.068 11.362 1.00 0.00 C ATOM 685 C ASP A 44 7.135 4.851 11.396 1.00 0.00 C ATOM 686 O ASP A 44 7.969 4.648 10.508 1.00 0.00 O ATOM 687 CB ASP A 44 6.949 7.284 11.964 1.00 0.00 C ATOM 688 CG ASP A 44 8.261 7.611 11.265 1.00 0.00 C ATOM 689 OD1 ASP A 44 8.224 8.262 10.188 1.00 0.00 O ATOM 690 OD2 ASP A 44 9.346 7.228 11.774 1.00 0.00 O ATOM 0 H ASP A 44 4.888 6.117 12.987 1.00 0.00 H new ATOM 0 HA ASP A 44 6.025 6.302 10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.287 8.148 11.907 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.142 7.099 13.021 1.00 0.00 H new ATOM 695 N SER A 45 6.932 4.014 12.398 1.00 0.00 N ATOM 696 CA SER A 45 7.666 2.814 12.554 1.00 0.00 C ATOM 697 C SER A 45 7.135 1.716 11.631 1.00 0.00 C ATOM 698 O SER A 45 7.605 0.577 11.658 1.00 0.00 O ATOM 699 CB SER A 45 7.599 2.394 13.990 1.00 0.00 C ATOM 700 OG SER A 45 8.210 3.363 14.830 1.00 0.00 O ATOM 0 H SER A 45 6.236 4.170 13.127 1.00 0.00 H new ATOM 0 HA SER A 45 8.705 2.986 12.274 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.559 2.256 14.285 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.097 1.432 14.116 1.00 0.00 H new ATOM 0 HG SER A 45 7.541 3.732 15.444 1.00 0.00 H new ATOM 706 N MET A 46 6.152 2.058 10.856 1.00 0.00 N ATOM 707 CA MET A 46 5.620 1.182 9.854 1.00 0.00 C ATOM 708 C MET A 46 5.827 1.779 8.475 1.00 0.00 C ATOM 709 O MET A 46 5.250 2.826 8.159 1.00 0.00 O ATOM 710 CB MET A 46 4.124 0.998 10.035 1.00 0.00 C ATOM 711 CG MET A 46 3.512 0.172 8.923 1.00 0.00 C ATOM 712 SD MET A 46 1.729 0.262 8.871 1.00 0.00 S ATOM 713 CE MET A 46 1.440 -0.693 7.394 1.00 0.00 C ATOM 0 H MET A 46 5.689 2.966 10.901 1.00 0.00 H new ATOM 0 HA MET A 46 6.136 0.227 9.952 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.932 0.514 10.993 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.641 1.974 10.069 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.913 0.509 7.967 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.812 -0.869 9.046 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.506 -0.374 6.931 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.262 -0.540 6.695 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.374 -1.750 7.651 1.00 0.00 H new ATOM 723 N ARG A 47 6.618 1.146 7.655 1.00 0.00 N ATOM 724 CA ARG A 47 6.709 1.574 6.290 1.00 0.00 C ATOM 725 C ARG A 47 5.930 0.680 5.391 1.00 0.00 C ATOM 726 O ARG A 47 5.878 -0.542 5.590 1.00 0.00 O ATOM 727 CB ARG A 47 8.111 1.859 5.783 1.00 0.00 C ATOM 728 CG ARG A 47 8.647 3.181 6.282 1.00 0.00 C ATOM 729 CD ARG A 47 9.966 3.544 5.639 1.00 0.00 C ATOM 730 NE ARG A 47 11.031 2.611 5.979 1.00 0.00 N ATOM 731 CZ ARG A 47 12.323 2.924 6.023 1.00 0.00 C ATOM 732 NH1 ARG A 47 12.742 4.113 5.602 1.00 0.00 N ATOM 733 NH2 ARG A 47 13.188 2.028 6.436 1.00 0.00 N ATOM 0 H ARG A 47 7.199 0.345 7.903 1.00 0.00 H new ATOM 0 HA ARG A 47 6.243 2.559 6.270 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.778 1.057 6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.107 1.860 4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.918 3.966 6.079 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.773 3.135 7.364 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.843 3.570 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.254 4.548 5.951 1.00 0.00 H new ATOM 0 HE ARG A 47 10.768 1.650 6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.071 4.792 5.242 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.734 4.346 5.639 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.867 1.102 6.719 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.181 2.257 6.474 1.00 0.00 H new ATOM 747 N ILE A 48 5.303 1.275 4.432 1.00 0.00 N ATOM 748 CA ILE A 48 4.397 0.571 3.581 1.00 0.00 C ATOM 749 C ILE A 48 4.918 0.545 2.130 1.00 0.00 C ATOM 750 O ILE A 48 5.112 1.587 1.513 1.00 0.00 O ATOM 751 CB ILE A 48 2.980 1.245 3.660 1.00 0.00 C ATOM 752 CG1 ILE A 48 1.922 0.477 2.893 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.989 2.720 3.284 1.00 0.00 C ATOM 754 CD1 ILE A 48 1.620 -0.858 3.503 1.00 0.00 C ATOM 0 H ILE A 48 5.403 2.266 4.214 1.00 0.00 H new ATOM 0 HA ILE A 48 4.317 -0.463 3.918 1.00 0.00 H new ATOM 0 HB ILE A 48 2.705 1.201 4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.007 1.069 2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.256 0.335 1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.978 3.121 3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.648 3.264 3.961 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.347 2.832 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.856 -1.363 2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.526 -1.464 3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.258 -0.719 4.522 1.00 0.00 H new ATOM 766 N GLN A 49 5.155 -0.634 1.604 1.00 0.00 N ATOM 767 CA GLN A 49 5.611 -0.768 0.239 1.00 0.00 C ATOM 768 C GLN A 49 4.556 -1.409 -0.619 1.00 0.00 C ATOM 769 O GLN A 49 3.853 -2.309 -0.180 1.00 0.00 O ATOM 770 CB GLN A 49 6.933 -1.567 0.077 1.00 0.00 C ATOM 771 CG GLN A 49 8.227 -0.895 0.545 1.00 0.00 C ATOM 772 CD GLN A 49 8.376 -0.794 2.043 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.900 -1.694 2.674 1.00 0.00 O ATOM 774 NE2 GLN A 49 7.955 0.286 2.610 1.00 0.00 N ATOM 0 H GLN A 49 5.039 -1.517 2.102 1.00 0.00 H new ATOM 0 HA GLN A 49 5.811 0.253 -0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.827 -2.507 0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.047 -1.819 -0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.075 -1.451 0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.275 0.108 0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.521 1.020 2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.057 0.406 3.618 1.00 0.00 H new ATOM 783 N LEU A 50 4.424 -0.932 -1.812 1.00 0.00 N ATOM 784 CA LEU A 50 3.501 -1.524 -2.773 1.00 0.00 C ATOM 785 C LEU A 50 4.262 -2.254 -3.883 1.00 0.00 C ATOM 786 O LEU A 50 5.249 -1.729 -4.432 1.00 0.00 O ATOM 787 CB LEU A 50 2.601 -0.455 -3.402 1.00 0.00 C ATOM 788 CG LEU A 50 1.552 -0.953 -4.428 1.00 0.00 C ATOM 789 CD1 LEU A 50 0.486 -1.808 -3.783 1.00 0.00 C ATOM 790 CD2 LEU A 50 0.957 0.195 -5.221 1.00 0.00 C ATOM 0 H LEU A 50 4.941 -0.126 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 50 2.882 -2.238 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.075 0.063 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.237 0.281 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 50 2.078 -1.594 -5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.227 -2.134 -4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.949 -2.680 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.034 -1.228 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.226 -0.193 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.468 0.892 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.749 0.712 -5.763 1.00 0.00 H new ATOM 802 N PHE A 51 3.838 -3.463 -4.179 1.00 0.00 N ATOM 803 CA PHE A 51 4.373 -4.209 -5.293 1.00 0.00 C ATOM 804 C PHE A 51 3.374 -4.139 -6.429 1.00 0.00 C ATOM 805 O PHE A 51 2.177 -4.399 -6.225 1.00 0.00 O ATOM 806 CB PHE A 51 4.590 -5.697 -4.966 1.00 0.00 C ATOM 807 CG PHE A 51 5.536 -6.015 -3.842 1.00 0.00 C ATOM 808 CD1 PHE A 51 6.850 -5.597 -3.881 1.00 0.00 C ATOM 809 CD2 PHE A 51 5.116 -6.777 -2.767 1.00 0.00 C ATOM 810 CE1 PHE A 51 7.728 -5.923 -2.870 1.00 0.00 C ATOM 811 CE2 PHE A 51 5.985 -7.104 -1.752 1.00 0.00 C ATOM 812 CZ PHE A 51 7.297 -6.678 -1.804 1.00 0.00 C ATOM 0 H PHE A 51 3.114 -3.954 -3.655 1.00 0.00 H new ATOM 0 HA PHE A 51 5.338 -3.771 -5.547 1.00 0.00 H new ATOM 0 HB2 PHE A 51 3.621 -6.137 -4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.954 -6.193 -5.866 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.196 -5.006 -4.716 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.093 -7.120 -2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.753 -5.586 -2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.641 -7.694 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.983 -6.937 -1.011 1.00 0.00 H new ATOM 822 N ASP A 52 3.839 -3.805 -7.601 1.00 0.00 N ATOM 823 CA ASP A 52 2.978 -3.758 -8.764 1.00 0.00 C ATOM 824 C ASP A 52 2.981 -5.067 -9.411 1.00 0.00 C ATOM 825 O ASP A 52 3.987 -5.738 -9.429 1.00 0.00 O ATOM 826 CB ASP A 52 3.418 -2.718 -9.761 1.00 0.00 C ATOM 827 CG ASP A 52 2.587 -2.632 -11.035 1.00 0.00 C ATOM 828 OD1 ASP A 52 2.869 -3.353 -11.992 1.00 0.00 O ATOM 829 OD2 ASP A 52 1.660 -1.824 -11.092 1.00 0.00 O ATOM 0 H ASP A 52 4.812 -3.559 -7.783 1.00 0.00 H new ATOM 0 HA ASP A 52 1.978 -3.490 -8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.403 -1.744 -9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.453 -2.920 -10.037 1.00 0.00 H new ATOM 834 N GLY A 53 1.875 -5.351 -9.971 1.00 0.00 N ATOM 835 CA GLY A 53 1.512 -6.616 -10.637 1.00 0.00 C ATOM 836 C GLY A 53 1.898 -7.887 -9.886 1.00 0.00 C ATOM 837 O GLY A 53 1.052 -8.640 -9.400 1.00 0.00 O ATOM 0 H GLY A 53 1.111 -4.676 -9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.434 -6.624 -10.800 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.984 -6.638 -11.619 1.00 0.00 H new ATOM 841 N ASP A 54 3.164 -8.070 -9.796 1.00 0.00 N ATOM 842 CA ASP A 54 3.825 -9.228 -9.233 1.00 0.00 C ATOM 843 C ASP A 54 5.288 -8.893 -8.949 1.00 0.00 C ATOM 844 O ASP A 54 6.010 -8.460 -9.855 1.00 0.00 O ATOM 845 CB ASP A 54 3.765 -10.400 -10.222 1.00 0.00 C ATOM 846 CG ASP A 54 4.545 -11.618 -9.754 1.00 0.00 C ATOM 847 OD1 ASP A 54 4.010 -12.420 -8.964 1.00 0.00 O ATOM 848 OD2 ASP A 54 5.696 -11.801 -10.200 1.00 0.00 O ATOM 0 H ASP A 54 3.829 -7.374 -10.134 1.00 0.00 H new ATOM 0 HA ASP A 54 3.321 -9.507 -8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.724 -10.682 -10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.156 -10.074 -11.186 1.00 0.00 H new ATOM 853 N ASP A 55 5.691 -9.055 -7.692 1.00 0.00 N ATOM 854 CA ASP A 55 7.095 -8.902 -7.209 1.00 0.00 C ATOM 855 C ASP A 55 7.677 -7.481 -7.244 1.00 0.00 C ATOM 856 O ASP A 55 8.212 -7.022 -6.241 1.00 0.00 O ATOM 857 CB ASP A 55 8.055 -9.883 -7.893 1.00 0.00 C ATOM 858 CG ASP A 55 9.486 -9.734 -7.394 1.00 0.00 C ATOM 859 OD1 ASP A 55 9.815 -10.272 -6.309 1.00 0.00 O ATOM 860 OD2 ASP A 55 10.308 -9.085 -8.072 1.00 0.00 O ATOM 0 H ASP A 55 5.044 -9.304 -6.944 1.00 0.00 H new ATOM 0 HA ASP A 55 7.009 -9.146 -6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.715 -10.903 -7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.030 -9.721 -8.971 1.00 0.00 H new ATOM 865 N GLN A 56 7.594 -6.815 -8.378 1.00 0.00 N ATOM 866 CA GLN A 56 8.212 -5.502 -8.561 1.00 0.00 C ATOM 867 C GLN A 56 7.787 -4.461 -7.550 1.00 0.00 C ATOM 868 O GLN A 56 6.618 -4.091 -7.430 1.00 0.00 O ATOM 869 CB GLN A 56 8.060 -4.992 -9.968 1.00 0.00 C ATOM 870 CG GLN A 56 6.637 -4.924 -10.451 1.00 0.00 C ATOM 871 CD GLN A 56 6.495 -4.432 -11.858 1.00 0.00 C ATOM 872 OE1 GLN A 56 7.310 -3.650 -12.345 1.00 0.00 O ATOM 873 NE2 GLN A 56 5.454 -4.861 -12.514 1.00 0.00 N ATOM 0 H GLN A 56 7.100 -7.161 -9.201 1.00 0.00 H new ATOM 0 HA GLN A 56 9.272 -5.673 -8.374 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.501 -3.997 -10.031 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.629 -5.636 -10.639 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.191 -5.916 -10.377 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.070 -4.269 -9.789 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.803 -5.510 -12.071 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.290 -4.548 -13.471 1.00 0.00 H new ATOM 882 N LEU A 57 8.759 -4.009 -6.847 1.00 0.00 N ATOM 883 CA LEU A 57 8.591 -3.038 -5.794 1.00 0.00 C ATOM 884 C LEU A 57 8.556 -1.648 -6.396 1.00 0.00 C ATOM 885 O LEU A 57 9.481 -1.248 -7.110 1.00 0.00 O ATOM 886 CB LEU A 57 9.714 -3.236 -4.726 1.00 0.00 C ATOM 887 CG LEU A 57 9.699 -2.369 -3.435 1.00 0.00 C ATOM 888 CD1 LEU A 57 10.625 -2.986 -2.403 1.00 0.00 C ATOM 889 CD2 LEU A 57 10.178 -0.951 -3.712 1.00 0.00 C ATOM 0 H LEU A 57 9.726 -4.303 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 57 7.642 -3.175 -5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.693 -4.282 -4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.670 -3.069 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 57 8.672 -2.333 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.616 -2.380 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.287 -3.995 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.639 -3.027 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.155 -0.372 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.197 -0.980 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.525 -0.484 -4.449 1.00 0.00 H new ATOM 901 N LYS A 58 7.480 -0.934 -6.142 1.00 0.00 N ATOM 902 CA LYS A 58 7.324 0.418 -6.655 1.00 0.00 C ATOM 903 C LYS A 58 7.946 1.412 -5.704 1.00 0.00 C ATOM 904 O LYS A 58 8.643 2.341 -6.110 1.00 0.00 O ATOM 905 CB LYS A 58 5.843 0.748 -6.860 1.00 0.00 C ATOM 906 CG LYS A 58 5.133 -0.131 -7.889 1.00 0.00 C ATOM 907 CD LYS A 58 5.752 -0.012 -9.288 1.00 0.00 C ATOM 908 CE LYS A 58 5.626 1.397 -9.853 1.00 0.00 C ATOM 909 NZ LYS A 58 6.243 1.515 -11.192 1.00 0.00 N ATOM 0 H LYS A 58 6.695 -1.266 -5.581 1.00 0.00 H new ATOM 0 HA LYS A 58 7.832 0.481 -7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.328 0.655 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.756 1.790 -7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.174 -1.171 -7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.080 0.147 -7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.805 -0.291 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.264 -0.717 -9.961 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.573 1.670 -9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.100 2.104 -9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.135 2.489 -11.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.254 1.280 -11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.774 0.859 -11.849 1.00 0.00 H new ATOM 923 N GLY A 59 7.701 1.210 -4.448 1.00 0.00 N ATOM 924 CA GLY A 59 8.250 2.060 -3.440 1.00 0.00 C ATOM 925 C GLY A 59 7.367 2.098 -2.252 1.00 0.00 C ATOM 926 O GLY A 59 6.636 1.128 -1.985 1.00 0.00 O ATOM 0 H GLY A 59 7.116 0.453 -4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.239 1.702 -3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.379 3.067 -3.837 1.00 0.00 H new ATOM 930 N GLU A 60 7.389 3.197 -1.555 1.00 0.00 N ATOM 931 CA GLU A 60 6.562 3.359 -0.410 1.00 0.00 C ATOM 932 C GLU A 60 5.369 4.142 -0.798 1.00 0.00 C ATOM 933 O GLU A 60 5.439 4.998 -1.691 1.00 0.00 O ATOM 934 CB GLU A 60 7.255 4.109 0.746 1.00 0.00 C ATOM 935 CG GLU A 60 8.463 3.444 1.379 1.00 0.00 C ATOM 936 CD GLU A 60 9.670 3.378 0.473 1.00 0.00 C ATOM 937 OE1 GLU A 60 10.396 4.388 0.380 1.00 0.00 O ATOM 938 OE2 GLU A 60 9.907 2.337 -0.156 1.00 0.00 O ATOM 0 H GLU A 60 7.981 4.000 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 60 6.313 2.358 -0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.563 5.088 0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.516 4.281 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.731 3.987 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.192 2.432 1.681 1.00 0.00 H new ATOM 945 N LEU A 61 4.280 3.846 -0.178 1.00 0.00 N ATOM 946 CA LEU A 61 3.081 4.604 -0.406 1.00 0.00 C ATOM 947 C LEU A 61 3.153 5.887 0.367 1.00 0.00 C ATOM 948 O LEU A 61 3.518 6.926 -0.162 1.00 0.00 O ATOM 949 CB LEU A 61 1.847 3.769 -0.071 1.00 0.00 C ATOM 950 CG LEU A 61 1.696 2.497 -0.900 1.00 0.00 C ATOM 951 CD1 LEU A 61 0.525 1.681 -0.419 1.00 0.00 C ATOM 952 CD2 LEU A 61 1.528 2.850 -2.366 1.00 0.00 C ATOM 0 H LEU A 61 4.186 3.084 0.494 1.00 0.00 H new ATOM 0 HA LEU A 61 2.993 4.862 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.884 3.497 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.959 4.385 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 61 2.598 1.897 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.437 0.779 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.678 1.404 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.389 2.268 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.421 1.936 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.639 3.468 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.404 3.400 -2.710 1.00 0.00 H new ATOM 964 N THR A 62 2.779 5.793 1.576 1.00 0.00 N ATOM 965 CA THR A 62 2.998 6.822 2.591 1.00 0.00 C ATOM 966 C THR A 62 1.969 8.013 2.527 1.00 0.00 C ATOM 967 O THR A 62 1.974 8.896 3.388 1.00 0.00 O ATOM 968 CB THR A 62 4.482 7.320 2.546 1.00 0.00 C ATOM 969 OG1 THR A 62 5.365 6.173 2.493 1.00 0.00 O ATOM 970 CG2 THR A 62 4.850 8.101 3.783 1.00 0.00 C ATOM 0 H THR A 62 2.288 4.975 1.936 1.00 0.00 H new ATOM 0 HA THR A 62 2.815 6.353 3.558 1.00 0.00 H new ATOM 0 HB THR A 62 4.584 7.959 1.669 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.296 6.478 2.463 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.887 8.428 3.712 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.200 8.972 3.870 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.729 7.468 4.662 1.00 0.00 H new ATOM 978 N ASP A 63 1.067 8.015 1.545 1.00 0.00 N ATOM 979 CA ASP A 63 0.083 9.114 1.439 1.00 0.00 C ATOM 980 C ASP A 63 -1.304 8.627 1.697 1.00 0.00 C ATOM 981 O ASP A 63 -1.854 7.876 0.913 1.00 0.00 O ATOM 982 CB ASP A 63 0.056 9.775 0.067 1.00 0.00 C ATOM 983 CG ASP A 63 1.341 10.414 -0.372 1.00 0.00 C ATOM 984 OD1 ASP A 63 1.578 11.589 -0.018 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.111 9.772 -1.130 1.00 0.00 O ATOM 0 H ASP A 63 0.990 7.295 0.827 1.00 0.00 H new ATOM 0 HA ASP A 63 0.404 9.839 2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.227 9.025 -0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.726 10.535 0.065 1.00 0.00 H new ATOM 990 N GLY A 64 -1.880 9.065 2.759 1.00 0.00 N ATOM 991 CA GLY A 64 -3.243 8.701 3.055 1.00 0.00 C ATOM 992 C GLY A 64 -4.175 9.844 2.793 1.00 0.00 C ATOM 993 O GLY A 64 -5.363 9.758 3.063 1.00 0.00 O ATOM 0 H GLY A 64 -1.439 9.677 3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.534 7.844 2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.323 8.394 4.098 1.00 0.00 H new ATOM 997 N ALA A 65 -3.627 10.926 2.256 1.00 0.00 N ATOM 998 CA ALA A 65 -4.410 12.101 1.879 1.00 0.00 C ATOM 999 C ALA A 65 -5.193 11.824 0.600 1.00 0.00 C ATOM 1000 O ALA A 65 -6.002 12.633 0.153 1.00 0.00 O ATOM 1001 CB ALA A 65 -3.496 13.293 1.686 1.00 0.00 C ATOM 0 H ALA A 65 -2.628 11.016 2.069 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.116 12.325 2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.088 14.164 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.966 13.499 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.775 13.075 0.898 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.926 10.690 0.020 1.00 0.00 N ATOM 1008 CA LYS A 66 -5.594 10.231 -1.157 1.00 0.00 C ATOM 1009 C LYS A 66 -6.024 8.802 -0.915 1.00 0.00 C ATOM 1010 O LYS A 66 -5.765 8.254 0.174 1.00 0.00 O ATOM 1011 CB LYS A 66 -4.672 10.324 -2.378 1.00 0.00 C ATOM 1012 CG LYS A 66 -3.346 9.585 -2.220 1.00 0.00 C ATOM 1013 CD LYS A 66 -2.524 9.612 -3.499 1.00 0.00 C ATOM 1014 CE LYS A 66 -2.181 11.021 -3.947 1.00 0.00 C ATOM 1015 NZ LYS A 66 -1.426 11.007 -5.214 1.00 0.00 N ATOM 0 H LYS A 66 -4.217 10.043 0.365 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.463 10.855 -1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.196 9.924 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.467 11.374 -2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.773 10.037 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.539 8.551 -1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.603 9.050 -3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.077 9.108 -4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.097 11.599 -4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.593 11.518 -3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.161 11.979 -5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.567 10.432 -5.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.018 10.600 -5.966 1.00 0.00 H new ATOM 1029 N SER A 67 -6.649 8.192 -1.876 1.00 0.00 N ATOM 1030 CA SER A 67 -7.076 6.875 -1.717 1.00 0.00 C ATOM 1031 C SER A 67 -6.021 5.927 -2.156 1.00 0.00 C ATOM 1032 O SER A 67 -5.046 6.301 -2.837 1.00 0.00 O ATOM 1033 CB SER A 67 -8.342 6.646 -2.504 1.00 0.00 C ATOM 1034 OG SER A 67 -8.184 7.077 -3.850 1.00 0.00 O ATOM 0 H SER A 67 -6.867 8.609 -2.781 1.00 0.00 H new ATOM 0 HA SER A 67 -7.277 6.700 -0.660 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.602 5.588 -2.484 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.167 7.185 -2.039 1.00 0.00 H new ATOM 0 HG SER A 67 -9.015 6.918 -4.344 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.217 4.723 -1.786 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.356 3.650 -2.150 1.00 0.00 C ATOM 1042 C LEU A 68 -5.417 3.396 -3.639 1.00 0.00 C ATOM 1043 O LEU A 68 -4.431 3.010 -4.250 1.00 0.00 O ATOM 1044 CB LEU A 68 -5.731 2.439 -1.326 1.00 0.00 C ATOM 1045 CG LEU A 68 -5.310 2.542 0.138 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -6.012 1.522 0.974 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -3.815 2.333 0.241 1.00 0.00 C ATOM 0 H LEU A 68 -7.004 4.439 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.317 3.900 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.810 2.296 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.272 1.554 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.580 3.531 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.692 1.619 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.089 1.678 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.768 0.524 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.509 2.405 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.558 1.347 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.300 3.096 -0.342 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.558 3.693 -4.230 1.00 0.00 N ATOM 1060 CA LYS A 69 -6.745 3.527 -5.656 1.00 0.00 C ATOM 1061 C LYS A 69 -5.841 4.470 -6.435 1.00 0.00 C ATOM 1062 O LYS A 69 -5.249 4.082 -7.460 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.198 3.773 -6.042 1.00 0.00 C ATOM 1064 CG LYS A 69 -8.469 3.620 -7.523 1.00 0.00 C ATOM 1065 CD LYS A 69 -9.930 3.790 -7.830 1.00 0.00 C ATOM 1066 CE LYS A 69 -10.192 3.660 -9.311 1.00 0.00 C ATOM 1067 NZ LYS A 69 -11.630 3.697 -9.606 1.00 0.00 N ATOM 0 H LYS A 69 -7.376 4.054 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.481 2.500 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.833 3.079 -5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.482 4.779 -5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.890 4.357 -8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.137 2.637 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.508 3.042 -7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.267 4.767 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.689 4.467 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.768 2.725 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.775 3.639 -10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.100 2.892 -9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.035 4.586 -9.248 1.00 0.00 H new ATOM 1081 N ASP A 70 -5.711 5.694 -5.938 1.00 0.00 N ATOM 1082 CA ASP A 70 -4.894 6.712 -6.602 1.00 0.00 C ATOM 1083 C ASP A 70 -3.432 6.372 -6.438 1.00 0.00 C ATOM 1084 O ASP A 70 -2.605 6.660 -7.298 1.00 0.00 O ATOM 1085 CB ASP A 70 -5.167 8.084 -6.019 1.00 0.00 C ATOM 1086 CG ASP A 70 -4.533 9.192 -6.842 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -5.165 9.643 -7.815 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -3.405 9.624 -6.541 1.00 0.00 O ATOM 0 H ASP A 70 -6.159 6.009 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.152 6.729 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.243 8.246 -5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.785 8.127 -4.999 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.141 5.719 -5.340 1.00 0.00 N ATOM 1094 CA LEU A 71 -1.791 5.249 -5.034 1.00 0.00 C ATOM 1095 C LEU A 71 -1.413 4.047 -5.879 1.00 0.00 C ATOM 1096 O LEU A 71 -0.261 3.635 -5.891 1.00 0.00 O ATOM 1097 CB LEU A 71 -1.670 4.871 -3.566 1.00 0.00 C ATOM 1098 CG LEU A 71 -1.680 5.998 -2.549 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -1.663 5.418 -1.163 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.463 6.888 -2.751 1.00 0.00 C ATOM 0 H LEU A 71 -3.830 5.492 -4.623 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.112 6.071 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.489 4.193 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.744 4.311 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.581 6.597 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.670 6.225 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.543 4.791 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.764 4.817 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.476 7.695 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.445 6.298 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.484 7.310 -3.756 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.381 3.476 -6.558 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.110 2.345 -7.402 1.00 0.00 C ATOM 1114 C GLY A 72 -2.354 1.052 -6.695 1.00 0.00 C ATOM 1115 O GLY A 72 -2.118 -0.013 -7.241 1.00 0.00 O ATOM 0 H GLY A 72 -3.356 3.777 -6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.738 2.397 -8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.075 2.384 -7.740 1.00 0.00 H new ATOM 1119 N VAL A 73 -2.831 1.144 -5.484 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.137 -0.016 -4.699 1.00 0.00 C ATOM 1121 C VAL A 73 -4.516 -0.488 -5.121 1.00 0.00 C ATOM 1122 O VAL A 73 -5.542 0.017 -4.655 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.157 0.315 -3.194 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -3.381 -0.925 -2.355 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -1.898 1.037 -2.783 1.00 0.00 C ATOM 0 H VAL A 73 -3.018 2.030 -5.014 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.377 -0.781 -4.861 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.999 0.983 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.389 -0.653 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.337 -1.376 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.579 -1.639 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.937 1.259 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.033 0.407 -2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.812 1.967 -3.344 1.00 0.00 H new ATOM 1135 N ARG A 74 -4.531 -1.378 -6.055 1.00 0.00 N ATOM 1136 CA ARG A 74 -5.748 -1.856 -6.641 1.00 0.00 C ATOM 1137 C ARG A 74 -5.733 -3.364 -6.570 1.00 0.00 C ATOM 1138 O ARG A 74 -4.793 -3.933 -6.020 1.00 0.00 O ATOM 1139 CB ARG A 74 -5.814 -1.351 -8.095 1.00 0.00 C ATOM 1140 CG ARG A 74 -5.686 0.176 -8.192 1.00 0.00 C ATOM 1141 CD ARG A 74 -5.651 0.685 -9.618 1.00 0.00 C ATOM 1142 NE ARG A 74 -5.411 2.147 -9.663 1.00 0.00 N ATOM 1143 CZ ARG A 74 -5.280 2.875 -10.780 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -5.407 2.303 -11.972 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -5.019 4.175 -10.697 1.00 0.00 N ATOM 0 H ARG A 74 -3.688 -1.803 -6.442 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.630 -1.492 -6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.017 -1.817 -8.675 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.758 -1.663 -8.542 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.524 0.638 -7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.777 0.491 -7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.867 0.169 -10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.595 0.454 -10.112 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.340 2.638 -8.772 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.605 1.305 -12.040 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.306 2.862 -12.819 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.919 4.618 -9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.919 4.730 -11.547 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.738 -4.021 -7.098 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.763 -5.475 -7.034 1.00 0.00 C ATOM 1161 C ASP A 75 -5.681 -6.072 -7.877 1.00 0.00 C ATOM 1162 O ASP A 75 -5.355 -5.571 -8.960 1.00 0.00 O ATOM 1163 CB ASP A 75 -8.114 -6.079 -7.391 1.00 0.00 C ATOM 1164 CG ASP A 75 -8.563 -5.801 -8.803 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -9.107 -4.712 -9.061 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -8.401 -6.677 -9.675 1.00 0.00 O ATOM 0 H ASP A 75 -7.535 -3.591 -7.568 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.581 -5.727 -5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.067 -7.158 -7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.865 -5.694 -6.701 1.00 0.00 H new ATOM 1171 N GLY A 76 -5.126 -7.116 -7.370 1.00 0.00 N ATOM 1172 CA GLY A 76 -4.024 -7.780 -8.038 1.00 0.00 C ATOM 1173 C GLY A 76 -2.684 -7.328 -7.499 1.00 0.00 C ATOM 1174 O GLY A 76 -1.655 -7.969 -7.733 1.00 0.00 O ATOM 0 H GLY A 76 -5.408 -7.544 -6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.121 -8.859 -7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.072 -7.577 -9.108 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.701 -6.246 -6.761 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.507 -5.684 -6.175 1.00 0.00 C ATOM 1180 C TYR A 77 -1.147 -6.345 -4.877 1.00 0.00 C ATOM 1181 O TYR A 77 -1.989 -6.961 -4.210 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.617 -4.174 -6.001 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.485 -3.411 -7.287 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -2.512 -3.361 -8.218 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -0.315 -2.743 -7.569 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -2.362 -2.668 -9.397 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -0.160 -2.049 -8.735 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.178 -2.012 -9.648 1.00 0.00 C ATOM 1189 OH TYR A 77 -1.006 -1.323 -10.824 1.00 0.00 O ATOM 0 H TYR A 77 -3.551 -5.725 -6.547 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.698 -5.882 -6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.579 -3.938 -5.545 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.845 -3.839 -5.308 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.441 -3.873 -8.015 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.495 -2.768 -6.855 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.165 -2.639 -10.118 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.765 -1.530 -8.936 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.051 -1.274 -11.037 1.00 0.00 H new ATOM 1199 N ARG A 78 0.102 -6.249 -4.525 1.00 0.00 N ATOM 1200 CA ARG A 78 0.573 -6.839 -3.315 1.00 0.00 C ATOM 1201 C ARG A 78 1.177 -5.767 -2.433 1.00 0.00 C ATOM 1202 O ARG A 78 1.940 -4.926 -2.895 1.00 0.00 O ATOM 1203 CB ARG A 78 1.582 -7.957 -3.608 1.00 0.00 C ATOM 1204 CG ARG A 78 1.036 -9.033 -4.531 1.00 0.00 C ATOM 1205 CD ARG A 78 2.030 -10.149 -4.752 1.00 0.00 C ATOM 1206 NE ARG A 78 1.518 -11.146 -5.702 1.00 0.00 N ATOM 1207 CZ ARG A 78 2.066 -12.347 -5.929 1.00 0.00 C ATOM 1208 NH1 ARG A 78 3.108 -12.746 -5.218 1.00 0.00 N ATOM 1209 NH2 ARG A 78 1.554 -13.149 -6.857 1.00 0.00 N ATOM 0 H ARG A 78 0.815 -5.762 -5.067 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.266 -7.293 -2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.475 -7.522 -4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.888 -8.416 -2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.119 -9.443 -4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.772 -8.588 -5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.966 -9.735 -5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.253 -10.632 -3.801 1.00 0.00 H new ATOM 0 HE ARG A 78 0.679 -10.905 -6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.495 -12.139 -4.496 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.524 -13.661 -5.392 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.742 -12.850 -7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.973 -14.063 -7.028 1.00 0.00 H new ATOM 1223 N ILE A 79 0.816 -5.788 -1.196 1.00 0.00 N ATOM 1224 CA ILE A 79 1.283 -4.824 -0.225 1.00 0.00 C ATOM 1225 C ILE A 79 2.356 -5.443 0.643 1.00 0.00 C ATOM 1226 O ILE A 79 2.246 -6.588 1.053 1.00 0.00 O ATOM 1227 CB ILE A 79 0.118 -4.305 0.675 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.807 -3.353 -0.076 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.625 -3.662 1.954 1.00 0.00 C ATOM 1230 CD1 ILE A 79 -0.159 -2.043 -0.466 1.00 0.00 C ATOM 0 H ILE A 79 0.177 -6.483 -0.811 1.00 0.00 H new ATOM 0 HA ILE A 79 1.694 -3.975 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.464 -5.184 0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.169 -3.850 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.678 -3.145 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.221 -3.316 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.196 -4.393 2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.265 -2.815 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.882 -1.423 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.178 -1.522 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.695 -2.238 -1.114 1.00 0.00 H new ATOM 1242 N HIS A 80 3.388 -4.710 0.880 1.00 0.00 N ATOM 1243 CA HIS A 80 4.447 -5.139 1.729 1.00 0.00 C ATOM 1244 C HIS A 80 4.540 -4.227 2.944 1.00 0.00 C ATOM 1245 O HIS A 80 4.738 -3.028 2.807 1.00 0.00 O ATOM 1246 CB HIS A 80 5.764 -5.137 0.958 1.00 0.00 C ATOM 1247 CG HIS A 80 6.942 -5.511 1.784 1.00 0.00 C ATOM 1248 ND1 HIS A 80 7.251 -6.805 2.087 1.00 0.00 N ATOM 1249 CD2 HIS A 80 7.860 -4.745 2.404 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.301 -6.835 2.868 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.701 -5.596 3.079 1.00 0.00 N ATOM 0 H HIS A 80 3.523 -3.780 0.483 1.00 0.00 H new ATOM 0 HA HIS A 80 4.244 -6.154 2.070 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.685 -5.829 0.120 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.927 -4.145 0.537 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.923 -3.667 2.376 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.762 -7.724 3.272 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.500 -5.317 3.648 1.00 0.00 H new ATOM 1260 N ALA A 81 4.395 -4.790 4.103 1.00 0.00 N ATOM 1261 CA ALA A 81 4.541 -4.052 5.320 1.00 0.00 C ATOM 1262 C ALA A 81 5.883 -4.394 5.922 1.00 0.00 C ATOM 1263 O ALA A 81 6.384 -5.507 5.735 1.00 0.00 O ATOM 1264 CB ALA A 81 3.414 -4.393 6.283 1.00 0.00 C ATOM 0 H ALA A 81 4.171 -5.777 4.233 1.00 0.00 H new ATOM 0 HA ALA A 81 4.490 -2.982 5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.538 -3.824 7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.457 -4.141 5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.438 -5.459 6.509 1.00 0.00 H new ATOM 1270 N VAL A 82 6.480 -3.461 6.586 1.00 0.00 N ATOM 1271 CA VAL A 82 7.741 -3.691 7.213 1.00 0.00 C ATOM 1272 C VAL A 82 7.850 -2.840 8.466 1.00 0.00 C ATOM 1273 O VAL A 82 7.388 -1.674 8.494 1.00 0.00 O ATOM 1274 CB VAL A 82 8.898 -3.379 6.227 1.00 0.00 C ATOM 1275 CG1 VAL A 82 8.898 -1.923 5.803 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.248 -3.793 6.781 1.00 0.00 C ATOM 0 H VAL A 82 6.109 -2.519 6.710 1.00 0.00 H new ATOM 0 HA VAL A 82 7.816 -4.741 7.497 1.00 0.00 H new ATOM 0 HB VAL A 82 8.719 -3.980 5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.723 -1.745 5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.955 -1.688 5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.016 -1.288 6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.027 -3.555 6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.440 -3.256 7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.248 -4.866 6.975 1.00 0.00 H new ATOM 1286 N ASP A 83 8.398 -3.412 9.503 1.00 0.00 N ATOM 1287 CA ASP A 83 8.584 -2.726 10.710 1.00 0.00 C ATOM 1288 C ASP A 83 9.880 -1.949 10.631 1.00 0.00 C ATOM 1289 O ASP A 83 10.862 -2.401 10.037 1.00 0.00 O ATOM 1290 CB ASP A 83 8.644 -3.702 11.875 1.00 0.00 C ATOM 1291 CG ASP A 83 9.992 -4.385 12.050 1.00 0.00 C ATOM 1292 OD1 ASP A 83 10.229 -5.423 11.401 1.00 0.00 O ATOM 1293 OD2 ASP A 83 10.829 -3.882 12.867 1.00 0.00 O ATOM 0 H ASP A 83 8.725 -4.378 9.513 1.00 0.00 H new ATOM 0 HA ASP A 83 7.746 -2.048 10.872 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.398 -3.169 12.793 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.879 -4.465 11.734 1.00 0.00 H new ATOM 1298 N VAL A 84 9.872 -0.778 11.157 1.00 0.00 N ATOM 1299 CA VAL A 84 11.061 0.036 11.209 1.00 0.00 C ATOM 1300 C VAL A 84 11.482 0.154 12.683 1.00 0.00 C ATOM 1301 O VAL A 84 12.419 0.857 13.036 1.00 0.00 O ATOM 1302 CB VAL A 84 10.777 1.454 10.610 1.00 0.00 C ATOM 1303 CG1 VAL A 84 12.047 2.275 10.448 1.00 0.00 C ATOM 1304 CG2 VAL A 84 10.037 1.360 9.285 1.00 0.00 C ATOM 0 H VAL A 84 9.046 -0.344 11.568 1.00 0.00 H new ATOM 0 HA VAL A 84 11.858 -0.419 10.621 1.00 0.00 H new ATOM 0 HB VAL A 84 10.139 1.970 11.327 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.799 3.250 10.029 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.521 2.408 11.421 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.733 1.756 9.778 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.856 2.363 8.897 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.639 0.798 8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.084 0.852 9.435 1.00 0.00 H new ATOM 1314 N THR A 85 10.797 -0.594 13.534 1.00 0.00 N ATOM 1315 CA THR A 85 11.016 -0.513 14.963 1.00 0.00 C ATOM 1316 C THR A 85 12.232 -1.339 15.386 1.00 0.00 C ATOM 1317 O THR A 85 12.949 -0.981 16.327 1.00 0.00 O ATOM 1318 CB THR A 85 9.740 -0.945 15.753 1.00 0.00 C ATOM 1319 OG1 THR A 85 9.926 -0.786 17.162 1.00 0.00 O ATOM 1320 CG2 THR A 85 9.346 -2.387 15.456 1.00 0.00 C ATOM 0 H THR A 85 10.082 -1.266 13.254 1.00 0.00 H new ATOM 0 HA THR A 85 11.223 0.529 15.207 1.00 0.00 H new ATOM 0 HB THR A 85 8.934 -0.291 15.420 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.112 -1.062 17.633 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.454 -2.645 16.026 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.140 -2.496 14.391 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.162 -3.053 15.738 1.00 0.00 H new ATOM 1328 N GLY A 86 12.472 -2.421 14.681 1.00 0.00 N ATOM 1329 CA GLY A 86 13.625 -3.241 14.984 1.00 0.00 C ATOM 1330 C GLY A 86 14.795 -2.893 14.105 1.00 0.00 C ATOM 1331 O GLY A 86 15.893 -3.437 14.260 1.00 0.00 O ATOM 0 H GLY A 86 11.896 -2.751 13.906 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.902 -3.109 16.030 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.370 -4.292 14.852 1.00 0.00 H new ATOM 1335 N GLY A 87 14.563 -1.964 13.183 1.00 0.00 N ATOM 1336 CA GLY A 87 15.588 -1.593 12.227 1.00 0.00 C ATOM 1337 C GLY A 87 15.787 -2.686 11.199 1.00 0.00 C ATOM 1338 O GLY A 87 16.835 -2.778 10.560 1.00 0.00 O ATOM 0 H GLY A 87 13.681 -1.461 13.082 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.307 -0.665 11.728 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.526 -1.403 12.749 1.00 0.00 H new ATOM 1342 N ASN A 88 14.776 -3.516 11.052 1.00 0.00 N ATOM 1343 CA ASN A 88 14.816 -4.626 10.128 1.00 0.00 C ATOM 1344 C ASN A 88 14.566 -4.140 8.726 1.00 0.00 C ATOM 1345 O ASN A 88 13.739 -3.263 8.513 1.00 0.00 O ATOM 1346 CB ASN A 88 13.771 -5.712 10.481 1.00 0.00 C ATOM 1347 CG ASN A 88 14.001 -6.415 11.819 1.00 0.00 C ATOM 1348 OD1 ASN A 88 14.527 -5.844 12.769 1.00 0.00 O ATOM 1349 ND2 ASN A 88 13.605 -7.663 11.896 1.00 0.00 N ATOM 0 H ASN A 88 13.902 -3.438 11.572 1.00 0.00 H new ATOM 0 HA ASN A 88 15.808 -5.071 10.201 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.782 -5.254 10.493 1.00 0.00 H new ATOM 0 HB3 ASN A 88 13.766 -6.461 9.689 1.00 0.00 H new ATOM 0 HD21 ASN A 88 13.731 -8.186 12.763 1.00 0.00 H new ATOM 0 HD22 ASN A 88 13.171 -8.111 11.089 1.00 0.00 H new ATOM 1356 N GLU A 89 15.320 -4.689 7.782 1.00 0.00 N ATOM 1357 CA GLU A 89 15.198 -4.405 6.340 1.00 0.00 C ATOM 1358 C GLU A 89 15.576 -2.954 6.011 1.00 0.00 C ATOM 1359 O GLU A 89 15.293 -2.464 4.915 1.00 0.00 O ATOM 1360 CB GLU A 89 13.772 -4.692 5.841 1.00 0.00 C ATOM 1361 CG GLU A 89 13.258 -6.087 6.158 1.00 0.00 C ATOM 1362 CD GLU A 89 14.130 -7.183 5.614 1.00 0.00 C ATOM 1363 OE1 GLU A 89 14.003 -7.519 4.426 1.00 0.00 O ATOM 1364 OE2 GLU A 89 14.937 -7.744 6.386 1.00 0.00 O ATOM 0 H GLU A 89 16.056 -5.363 7.994 1.00 0.00 H new ATOM 0 HA GLU A 89 15.897 -5.066 5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.094 -3.961 6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.743 -4.545 4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.178 -6.200 7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.253 -6.197 5.751 1.00 0.00 H new ATOM 1371 N ASP A 90 16.235 -2.286 6.933 1.00 0.00 N ATOM 1372 CA ASP A 90 16.577 -0.887 6.745 1.00 0.00 C ATOM 1373 C ASP A 90 18.074 -0.686 6.728 1.00 0.00 C ATOM 1374 O ASP A 90 18.650 -0.643 5.634 1.00 0.00 O ATOM 1375 CB ASP A 90 15.916 0.004 7.800 1.00 0.00 C ATOM 1376 CG ASP A 90 16.226 1.467 7.577 1.00 0.00 C ATOM 1377 OD1 ASP A 90 15.780 2.026 6.548 1.00 0.00 O ATOM 1378 OD2 ASP A 90 16.897 2.095 8.434 1.00 0.00 O ATOM 0 H ASP A 90 16.545 -2.685 7.819 1.00 0.00 H new ATOM 0 HA ASP A 90 16.187 -0.588 5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.837 -0.146 7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.258 -0.293 8.792 1.00 0.00 H new TER 1383 ASP A 90