USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 1065 hydrogens (21 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 Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.95! C(o=-2!,f=-3.1!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -2.9! C(o=-3.6!,f=-2.9!) USER MOD Single : A 37 HIS : no HD1:sc= -9.48! C(o=-9.5!,f=-13!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 ASN : amide:sc= -1.9! C(o=-1.9!,f=-3.5!) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 31 ASN :FLIP amide:sc= -2.3! C(o=-3.1!,f=-2.3!) USER MOD Single : B 37 HIS : no HD1:sc= -9.86! C(o=-9.9!,f=-13!) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 19 SER OG : rot 180:sc= 0 USER MOD Single : C 20 ASN : amide:sc= -1.89! C(o=-1.9!,f=-3.5!) USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 23 SER OG : rot 180:sc= 0 USER MOD Single : C 31 ASN : amide:sc= -2.49! C(o=-2.5!,f=-2.9!) USER MOD Single : C 37 HIS : no HD1:sc= -9.55! C(o=-9.5!,f=-13!) USER MOD Single : C 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 19 SER OG : rot 180:sc= 0 USER MOD Single : D 20 ASN : amide:sc= -2.06! C(o=-2.1!,f=-3.4!) USER MOD Single : D 22 SER OG : rot 180:sc= 0 USER MOD Single : D 23 SER OG : rot 180:sc= 0 USER MOD Single : D 31 ASN :FLIP amide:sc= -2.16! C(o=-2.7!,f=-2.2!) USER MOD Single : D 37 HIS : no HD1:sc= -9.61! C(o=-9.6!,f=-13!) USER MOD Single : D 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 -4.381 28.319 -1.605 1.00 0.00 N ATOM 2 CA SER A 19 -4.077 27.583 -0.346 1.00 0.00 C ATOM 3 C SER A 19 -4.983 26.361 -0.243 1.00 0.00 C ATOM 4 O SER A 19 -4.625 25.363 0.379 1.00 0.00 O ATOM 5 CB SER A 19 -4.307 28.506 0.850 1.00 0.00 C ATOM 6 OG SER A 19 -4.293 27.738 2.046 1.00 0.00 O ATOM 0 HA SER A 19 -3.037 27.258 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.532 29.272 0.887 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.261 29.023 0.747 1.00 0.00 H new ATOM 0 HG SER A 19 -4.439 28.328 2.815 1.00 0.00 H new ATOM 14 N ASN A 20 -6.157 26.447 -0.857 1.00 0.00 N ATOM 15 CA ASN A 20 -7.105 25.339 -0.829 1.00 0.00 C ATOM 16 C ASN A 20 -6.527 24.124 -1.548 1.00 0.00 C ATOM 17 O ASN A 20 -6.708 22.987 -1.114 1.00 0.00 O ATOM 18 CB ASN A 20 -8.417 25.756 -1.495 1.00 0.00 C ATOM 19 CG ASN A 20 -9.404 24.593 -1.475 1.00 0.00 C ATOM 20 OD1 ASN A 20 -9.062 23.496 -1.029 1.00 0.00 O ATOM 21 ND2 ASN A 20 -10.612 24.764 -1.933 1.00 0.00 N ATOM 0 H ASN A 20 -6.474 27.265 -1.377 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.297 25.074 0.211 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.842 26.614 -0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.230 26.068 -2.523 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -11.276 23.990 -1.923 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.894 25.672 -2.302 1.00 0.00 H new ATOM 28 N ASP A 21 -5.836 24.376 -2.656 1.00 0.00 N ATOM 29 CA ASP A 21 -5.239 23.301 -3.441 1.00 0.00 C ATOM 30 C ASP A 21 -4.013 22.728 -2.732 1.00 0.00 C ATOM 31 O ASP A 21 -3.419 21.755 -3.193 1.00 0.00 O ATOM 32 CB ASP A 21 -4.827 23.828 -4.817 1.00 0.00 C ATOM 33 CG ASP A 21 -6.064 24.179 -5.637 1.00 0.00 C ATOM 34 OD1 ASP A 21 -7.150 23.819 -5.215 1.00 0.00 O ATOM 35 OD2 ASP A 21 -5.906 24.805 -6.671 1.00 0.00 O ATOM 0 H ASP A 21 -5.676 25.312 -3.029 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.981 22.510 -3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.195 24.709 -4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.236 23.077 -5.340 1.00 0.00 H new ATOM 40 N SER A 22 -3.635 23.341 -1.615 1.00 0.00 N ATOM 41 CA SER A 22 -2.471 22.883 -0.862 1.00 0.00 C ATOM 42 C SER A 22 -2.668 21.441 -0.402 1.00 0.00 C ATOM 43 O SER A 22 -1.754 20.619 -0.498 1.00 0.00 O ATOM 44 CB SER A 22 -2.252 23.779 0.357 1.00 0.00 C ATOM 45 OG SER A 22 -1.077 23.365 1.042 1.00 0.00 O ATOM 0 H SER A 22 -4.112 24.148 -1.213 1.00 0.00 H new ATOM 0 HA SER A 22 -1.598 22.933 -1.512 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.157 24.819 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.113 23.723 1.023 1.00 0.00 H new ATOM 0 HG SER A 22 -0.934 23.939 1.823 1.00 0.00 H new ATOM 51 N SER A 23 -3.868 21.139 0.094 1.00 0.00 N ATOM 52 CA SER A 23 -4.195 19.791 0.567 1.00 0.00 C ATOM 53 C SER A 23 -5.357 19.218 -0.238 1.00 0.00 C ATOM 54 O SER A 23 -6.518 19.537 0.022 1.00 0.00 O ATOM 55 CB SER A 23 -4.576 19.842 2.045 1.00 0.00 C ATOM 56 OG SER A 23 -4.896 18.530 2.491 1.00 0.00 O ATOM 0 H SER A 23 -4.632 21.810 0.179 1.00 0.00 H new ATOM 0 HA SER A 23 -3.322 19.151 0.437 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.752 20.247 2.632 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.428 20.506 2.191 1.00 0.00 H new ATOM 0 HG SER A 23 -5.140 18.557 3.440 1.00 0.00 H new ATOM 62 N ASP A 24 -5.042 18.373 -1.214 1.00 0.00 N ATOM 63 CA ASP A 24 -6.075 17.767 -2.054 1.00 0.00 C ATOM 64 C ASP A 24 -6.699 16.556 -1.344 1.00 0.00 C ATOM 65 O ASP A 24 -6.048 15.912 -0.522 1.00 0.00 O ATOM 66 CB ASP A 24 -5.462 17.337 -3.399 1.00 0.00 C ATOM 67 CG ASP A 24 -4.020 16.889 -3.190 1.00 0.00 C ATOM 68 OD1 ASP A 24 -3.729 16.375 -2.123 1.00 0.00 O ATOM 69 OD2 ASP A 24 -3.228 17.068 -4.100 1.00 0.00 O ATOM 0 H ASP A 24 -4.089 18.092 -1.444 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.860 18.501 -2.237 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.046 16.525 -3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.496 18.166 -4.106 1.00 0.00 H new ATOM 74 N PRO A 25 -7.939 16.237 -1.641 1.00 0.00 N ATOM 75 CA PRO A 25 -8.645 15.077 -1.008 1.00 0.00 C ATOM 76 C PRO A 25 -8.034 13.740 -1.427 1.00 0.00 C ATOM 77 O PRO A 25 -8.252 12.716 -0.778 1.00 0.00 O ATOM 78 CB PRO A 25 -10.096 15.214 -1.507 1.00 0.00 C ATOM 79 CG PRO A 25 -9.993 15.986 -2.784 1.00 0.00 C ATOM 80 CD PRO A 25 -8.806 16.936 -2.610 1.00 0.00 C ATOM 0 HA PRO A 25 -8.569 15.089 0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.551 14.237 -1.672 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.717 15.736 -0.779 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.837 15.319 -3.632 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.911 16.541 -2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.291 17.111 -3.555 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.123 17.909 -2.235 1.00 0.00 H new ATOM 88 N LEU A 26 -7.280 13.757 -2.521 1.00 0.00 N ATOM 89 CA LEU A 26 -6.654 12.541 -3.024 1.00 0.00 C ATOM 90 C LEU A 26 -5.671 11.979 -1.999 1.00 0.00 C ATOM 91 O LEU A 26 -5.627 10.771 -1.766 1.00 0.00 O ATOM 92 CB LEU A 26 -5.913 12.841 -4.329 1.00 0.00 C ATOM 93 CG LEU A 26 -6.919 13.184 -5.442 1.00 0.00 C ATOM 94 CD1 LEU A 26 -6.152 13.728 -6.653 1.00 0.00 C ATOM 95 CD2 LEU A 26 -7.718 11.930 -5.856 1.00 0.00 C ATOM 0 H LEU A 26 -7.089 14.593 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.434 11.801 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.224 13.673 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.314 11.979 -4.623 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.620 13.933 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.855 13.975 -7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.603 14.624 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.452 12.973 -7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.424 12.192 -6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.032 11.166 -6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.263 11.545 -4.994 1.00 0.00 H new ATOM 107 N VAL A 27 -4.885 12.861 -1.388 1.00 0.00 N ATOM 108 CA VAL A 27 -3.909 12.438 -0.388 1.00 0.00 C ATOM 109 C VAL A 27 -4.618 11.858 0.833 1.00 0.00 C ATOM 110 O VAL A 27 -4.221 10.817 1.357 1.00 0.00 O ATOM 111 CB VAL A 27 -3.041 13.627 0.034 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.107 13.207 1.175 1.00 0.00 C ATOM 113 CG2 VAL A 27 -2.203 14.094 -1.160 1.00 0.00 C ATOM 0 H VAL A 27 -4.904 13.865 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.274 11.668 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.684 14.440 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.491 14.056 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.700 12.873 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.465 12.393 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.584 14.940 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.564 13.278 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.864 14.396 -1.972 1.00 0.00 H new ATOM 123 N VAL A 28 -5.667 12.542 1.278 1.00 0.00 N ATOM 124 CA VAL A 28 -6.429 12.091 2.438 1.00 0.00 C ATOM 125 C VAL A 28 -7.085 10.742 2.157 1.00 0.00 C ATOM 126 O VAL A 28 -7.055 9.840 2.995 1.00 0.00 O ATOM 127 CB VAL A 28 -7.504 13.121 2.790 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.376 12.587 3.929 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.836 14.425 3.229 1.00 0.00 C ATOM 0 H VAL A 28 -6.008 13.406 0.856 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.744 11.981 3.279 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.127 13.306 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.141 13.323 4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.854 11.658 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.755 12.399 4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.601 15.159 3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.212 14.238 4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.218 14.808 2.417 1.00 0.00 H new ATOM 139 N ALA A 29 -7.680 10.610 0.974 1.00 0.00 N ATOM 140 CA ALA A 29 -8.343 9.364 0.601 1.00 0.00 C ATOM 141 C ALA A 29 -7.345 8.213 0.577 1.00 0.00 C ATOM 142 O ALA A 29 -7.660 7.101 0.994 1.00 0.00 O ATOM 143 CB ALA A 29 -8.985 9.502 -0.782 1.00 0.00 C ATOM 0 H ALA A 29 -7.717 11.342 0.264 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.114 9.154 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.477 8.567 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.721 10.306 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.215 9.732 -1.519 1.00 0.00 H new ATOM 149 N ALA A 30 -6.143 8.484 0.087 1.00 0.00 N ATOM 150 CA ALA A 30 -5.118 7.453 0.012 1.00 0.00 C ATOM 151 C ALA A 30 -4.748 6.955 1.407 1.00 0.00 C ATOM 152 O ALA A 30 -4.556 5.757 1.617 1.00 0.00 O ATOM 153 CB ALA A 30 -3.873 8.006 -0.681 1.00 0.00 C ATOM 0 H ALA A 30 -5.856 9.399 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.515 6.617 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.110 7.229 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.131 8.330 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.488 8.854 -0.115 1.00 0.00 H new ATOM 159 N ASN A 31 -4.650 7.880 2.356 1.00 0.00 N ATOM 160 CA ASN A 31 -4.302 7.515 3.724 1.00 0.00 C ATOM 161 C ASN A 31 -5.389 6.631 4.336 1.00 0.00 C ATOM 162 O ASN A 31 -5.091 5.626 4.983 1.00 0.00 O ATOM 163 CB ASN A 31 -4.137 8.779 4.570 1.00 0.00 C ATOM 164 CG ASN A 31 -2.915 9.570 4.110 1.00 0.00 C ATOM 165 OD1 ASN A 31 -2.034 9.006 3.330 1.00 0.00 O flip ATOM 166 ND2 ASN A 31 -2.762 10.737 4.467 1.00 0.00 N flip ATOM 0 H ASN A 31 -4.805 8.877 2.206 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.364 6.960 3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.031 9.398 4.489 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.030 8.510 5.621 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.450 11.178 5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.947 11.264 4.153 1.00 0.00 H new ATOM 173 N ILE A 32 -6.644 7.010 4.122 1.00 0.00 N ATOM 174 CA ILE A 32 -7.770 6.244 4.647 1.00 0.00 C ATOM 175 C ILE A 32 -7.840 4.873 3.984 1.00 0.00 C ATOM 176 O ILE A 32 -8.072 3.860 4.645 1.00 0.00 O ATOM 177 CB ILE A 32 -9.080 7.009 4.413 1.00 0.00 C ATOM 178 CG1 ILE A 32 -9.085 8.275 5.272 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.270 6.125 4.803 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.238 9.181 4.835 1.00 0.00 C ATOM 0 H ILE A 32 -6.908 7.840 3.591 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.625 6.104 5.718 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.160 7.278 3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.193 8.013 6.325 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.136 8.801 5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.199 6.671 4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.266 5.220 4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.193 5.854 5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.243 10.084 5.446 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.110 9.453 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.183 8.653 4.960 1.00 0.00 H new ATOM 192 N ILE A 33 -7.647 4.852 2.670 1.00 0.00 N ATOM 193 CA ILE A 33 -7.701 3.606 1.917 1.00 0.00 C ATOM 194 C ILE A 33 -6.601 2.650 2.386 1.00 0.00 C ATOM 195 O ILE A 33 -6.842 1.455 2.561 1.00 0.00 O ATOM 196 CB ILE A 33 -7.531 3.903 0.417 1.00 0.00 C ATOM 197 CG1 ILE A 33 -8.765 4.673 -0.120 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.352 2.589 -0.354 1.00 0.00 C ATOM 199 CD1 ILE A 33 -9.889 3.708 -0.526 1.00 0.00 C ATOM 0 H ILE A 33 -7.453 5.680 2.107 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.668 3.133 2.086 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.646 4.523 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.130 5.359 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.474 5.278 -0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.232 2.804 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.467 2.069 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.230 1.959 -0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.741 4.277 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.530 3.039 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.196 3.122 0.340 1.00 0.00 H new ATOM 211 N GLY A 34 -5.393 3.178 2.585 1.00 0.00 N ATOM 212 CA GLY A 34 -4.277 2.351 3.030 1.00 0.00 C ATOM 213 C GLY A 34 -4.573 1.716 4.388 1.00 0.00 C ATOM 214 O GLY A 34 -4.363 0.519 4.582 1.00 0.00 O ATOM 0 H GLY A 34 -5.166 4.163 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.082 1.571 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.374 2.958 3.097 1.00 0.00 H new ATOM 218 N ILE A 35 -5.072 2.525 5.319 1.00 0.00 N ATOM 219 CA ILE A 35 -5.403 2.031 6.652 1.00 0.00 C ATOM 220 C ILE A 35 -6.542 1.014 6.574 1.00 0.00 C ATOM 221 O ILE A 35 -6.506 -0.023 7.234 1.00 0.00 O ATOM 222 CB ILE A 35 -5.804 3.200 7.560 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.583 4.089 7.808 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.315 2.657 8.899 1.00 0.00 C ATOM 225 CD1 ILE A 35 -5.024 5.390 8.481 1.00 0.00 C ATOM 0 H ILE A 35 -5.255 3.518 5.177 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.525 1.540 7.071 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.591 3.781 7.079 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.863 3.568 8.439 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.082 4.307 6.865 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.600 3.488 9.544 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.181 2.019 8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.528 2.077 9.381 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.153 6.022 8.657 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.728 5.914 7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.505 5.163 9.432 1.00 0.00 H new ATOM 237 N LEU A 36 -7.552 1.323 5.761 1.00 0.00 N ATOM 238 CA LEU A 36 -8.699 0.431 5.606 1.00 0.00 C ATOM 239 C LEU A 36 -8.238 -0.928 5.078 1.00 0.00 C ATOM 240 O LEU A 36 -8.747 -1.972 5.481 1.00 0.00 O ATOM 241 CB LEU A 36 -9.722 1.043 4.636 1.00 0.00 C ATOM 242 CG LEU A 36 -11.113 0.399 4.848 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.878 1.145 5.950 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.923 0.472 3.550 1.00 0.00 C ATOM 0 H LEU A 36 -7.599 2.176 5.204 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.170 0.297 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.784 2.120 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.395 0.890 3.607 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.972 -0.642 5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.855 0.683 6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.315 1.094 6.882 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.008 2.188 5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.901 0.017 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.050 1.515 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.395 -0.064 2.761 1.00 0.00 H new ATOM 256 N HIS A 37 -7.273 -0.906 4.174 1.00 0.00 N ATOM 257 CA HIS A 37 -6.752 -2.142 3.613 1.00 0.00 C ATOM 258 C HIS A 37 -6.042 -2.962 4.684 1.00 0.00 C ATOM 259 O HIS A 37 -6.180 -4.183 4.734 1.00 0.00 O ATOM 260 CB HIS A 37 -5.765 -1.832 2.488 1.00 0.00 C ATOM 261 CG HIS A 37 -5.267 -3.124 1.900 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.493 -3.472 0.579 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.554 -4.163 2.444 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.925 -4.675 0.379 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.341 -5.140 1.484 1.00 0.00 N ATOM 0 H HIS A 37 -6.838 -0.056 3.816 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.591 -2.716 3.220 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.249 -1.230 1.718 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.929 -1.247 2.872 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.210 -4.212 3.467 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.940 -5.201 -0.564 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.845 -6.024 1.598 1.00 0.00 H new ATOM 273 N LEU A 38 -5.250 -2.290 5.515 1.00 0.00 N ATOM 274 CA LEU A 38 -4.482 -2.977 6.554 1.00 0.00 C ATOM 275 C LEU A 38 -5.386 -3.741 7.523 1.00 0.00 C ATOM 276 O LEU A 38 -5.121 -4.898 7.831 1.00 0.00 O ATOM 277 CB LEU A 38 -3.632 -1.938 7.322 1.00 0.00 C ATOM 278 CG LEU A 38 -2.162 -2.000 6.868 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.454 -0.710 7.274 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.454 -3.196 7.521 1.00 0.00 C ATOM 0 H LEU A 38 -5.122 -1.278 5.492 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.835 -3.711 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.029 -0.937 7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.696 -2.128 8.393 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.129 -2.117 5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.413 -0.750 6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.946 0.140 6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.497 -0.597 8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.415 -3.228 7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.488 -3.091 8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.956 -4.119 7.230 1.00 0.00 H new ATOM 292 N ILE A 39 -6.438 -3.097 8.004 1.00 0.00 N ATOM 293 CA ILE A 39 -7.344 -3.751 8.937 1.00 0.00 C ATOM 294 C ILE A 39 -7.971 -4.983 8.285 1.00 0.00 C ATOM 295 O ILE A 39 -8.106 -6.034 8.915 1.00 0.00 O ATOM 296 CB ILE A 39 -8.422 -2.762 9.399 1.00 0.00 C ATOM 297 CG1 ILE A 39 -9.049 -2.092 8.179 1.00 0.00 C ATOM 298 CG2 ILE A 39 -7.783 -1.694 10.287 1.00 0.00 C ATOM 299 CD1 ILE A 39 -10.171 -1.147 8.614 1.00 0.00 C ATOM 0 H ILE A 39 -6.684 -2.136 7.769 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.784 -4.080 9.812 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.189 -3.295 9.961 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.289 -1.537 7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.444 -2.849 7.502 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.547 -0.990 10.617 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.328 -2.168 11.156 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.018 -1.161 9.722 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.610 -0.675 7.735 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.938 -1.712 9.144 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.765 -0.380 9.273 1.00 0.00 H new ATOM 311 N LEU A 40 -8.349 -4.854 7.018 1.00 0.00 N ATOM 312 CA LEU A 40 -8.947 -5.971 6.294 1.00 0.00 C ATOM 313 C LEU A 40 -7.911 -7.064 5.995 1.00 0.00 C ATOM 314 O LEU A 40 -8.187 -8.252 6.167 1.00 0.00 O ATOM 315 CB LEU A 40 -9.566 -5.454 4.986 1.00 0.00 C ATOM 316 CG LEU A 40 -10.921 -4.770 5.277 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.255 -3.781 4.156 1.00 0.00 C ATOM 318 CD2 LEU A 40 -12.041 -5.819 5.357 1.00 0.00 C ATOM 0 H LEU A 40 -8.254 -3.996 6.475 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.722 -6.414 6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.888 -4.747 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.709 -6.280 4.290 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.844 -4.244 6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.211 -3.302 4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.475 -3.022 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.317 -4.314 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.990 -5.323 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.108 -6.353 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.821 -6.526 6.157 1.00 0.00 H new ATOM 330 N TRP A 41 -6.722 -6.658 5.545 1.00 0.00 N ATOM 331 CA TRP A 41 -5.661 -7.612 5.222 1.00 0.00 C ATOM 332 C TRP A 41 -5.151 -8.316 6.480 1.00 0.00 C ATOM 333 O TRP A 41 -5.025 -9.541 6.506 1.00 0.00 O ATOM 334 CB TRP A 41 -4.507 -6.886 4.510 1.00 0.00 C ATOM 335 CG TRP A 41 -3.295 -7.766 4.436 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.053 -8.693 3.481 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.144 -7.790 5.325 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.836 -9.299 3.743 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.236 -8.770 4.866 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.805 -7.061 6.479 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -0.038 -9.016 5.531 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.595 -7.305 7.140 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.285 -8.279 6.668 1.00 0.00 C ATOM 0 H TRP A 41 -6.471 -5.680 5.397 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.072 -8.372 4.557 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.816 -6.599 3.505 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.264 -5.967 5.044 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.703 -8.923 2.650 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.433 -10.045 3.175 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.482 -6.309 6.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.638 -9.775 5.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.341 -6.735 8.022 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.216 -8.462 7.184 1.00 0.00 H new ATOM 354 N ILE A 42 -4.848 -7.542 7.517 1.00 0.00 N ATOM 355 CA ILE A 42 -4.343 -8.118 8.759 1.00 0.00 C ATOM 356 C ILE A 42 -5.413 -8.997 9.407 1.00 0.00 C ATOM 357 O ILE A 42 -5.125 -10.081 9.907 1.00 0.00 O ATOM 358 CB ILE A 42 -3.916 -7.000 9.725 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.065 -7.588 10.857 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.155 -6.323 10.327 1.00 0.00 C ATOM 361 CD1 ILE A 42 -2.451 -6.447 11.673 1.00 0.00 C ATOM 0 H ILE A 42 -4.942 -6.526 7.524 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.474 -8.736 8.532 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.333 -6.263 9.172 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.679 -8.220 11.499 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.278 -8.220 10.445 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.842 -5.533 11.010 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.760 -5.894 9.528 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.744 -7.061 10.872 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.845 -6.861 12.479 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.824 -5.833 11.026 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.246 -5.833 12.096 1.00 0.00 H new ATOM 373 N LEU A 43 -6.653 -8.519 9.388 1.00 0.00 N ATOM 374 CA LEU A 43 -7.758 -9.273 9.968 1.00 0.00 C ATOM 375 C LEU A 43 -7.966 -10.584 9.217 1.00 0.00 C ATOM 376 O LEU A 43 -8.208 -11.626 9.822 1.00 0.00 O ATOM 377 CB LEU A 43 -9.043 -8.433 9.928 1.00 0.00 C ATOM 378 CG LEU A 43 -10.232 -9.245 10.463 1.00 0.00 C ATOM 379 CD1 LEU A 43 -9.929 -9.762 11.879 1.00 0.00 C ATOM 380 CD2 LEU A 43 -11.469 -8.345 10.505 1.00 0.00 C ATOM 0 H LEU A 43 -6.916 -7.621 8.981 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.514 -9.504 11.005 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.913 -7.530 10.525 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.244 -8.113 8.906 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.410 -10.098 9.808 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.780 -10.336 12.247 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.045 -10.400 11.852 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.747 -8.917 12.543 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.319 -8.912 10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.279 -7.495 11.161 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.691 -7.985 9.500 1.00 0.00 H new ATOM 392 N ASP A 44 -7.873 -10.519 7.893 1.00 0.00 N ATOM 393 CA ASP A 44 -8.060 -11.704 7.061 1.00 0.00 C ATOM 394 C ASP A 44 -6.998 -12.755 7.372 1.00 0.00 C ATOM 395 O ASP A 44 -7.250 -13.955 7.265 1.00 0.00 O ATOM 396 CB ASP A 44 -7.985 -11.322 5.584 1.00 0.00 C ATOM 397 CG ASP A 44 -9.235 -10.547 5.180 1.00 0.00 C ATOM 398 OD1 ASP A 44 -10.191 -10.562 5.938 1.00 0.00 O ATOM 399 OD2 ASP A 44 -9.218 -9.948 4.117 1.00 0.00 O ATOM 0 H ASP A 44 -7.671 -9.664 7.375 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.042 -12.124 7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.097 -10.717 5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.890 -12.219 4.972 1.00 0.00 H new ATOM 404 N ARG A 45 -5.815 -12.298 7.758 1.00 0.00 N ATOM 405 CA ARG A 45 -4.724 -13.209 8.082 1.00 0.00 C ATOM 406 C ARG A 45 -5.151 -14.186 9.175 1.00 0.00 C ATOM 407 O ARG A 45 -4.778 -15.358 9.151 1.00 0.00 O ATOM 408 CB ARG A 45 -3.499 -12.420 8.549 1.00 0.00 C ATOM 409 CG ARG A 45 -2.334 -13.378 8.801 1.00 0.00 C ATOM 410 CD ARG A 45 -1.092 -12.577 9.192 1.00 0.00 C ATOM 411 NE ARG A 45 0.016 -13.480 9.483 1.00 0.00 N ATOM 412 CZ ARG A 45 0.729 -14.028 8.504 1.00 0.00 C ATOM 413 NH1 ARG A 45 0.438 -13.767 7.260 1.00 0.00 N ATOM 414 NH2 ARG A 45 1.718 -14.829 8.790 1.00 0.00 N ATOM 0 H ARG A 45 -5.586 -11.309 7.854 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.468 -13.772 7.184 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.220 -11.683 7.796 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.734 -11.870 9.460 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.592 -14.080 9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.133 -13.967 7.906 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.817 -11.900 8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.307 -11.960 10.064 1.00 0.00 H new ATOM 0 HE ARG A 45 0.247 -13.694 10.453 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.337 -13.142 7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.985 -14.188 6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.943 -15.034 9.764 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.266 -15.250 8.040 1.00 0.00 H new ATOM 428 N LEU A 46 -5.925 -13.695 10.137 1.00 0.00 N ATOM 429 CA LEU A 46 -6.380 -14.540 11.236 1.00 0.00 C ATOM 430 C LEU A 46 -7.229 -15.695 10.703 1.00 0.00 C ATOM 431 O LEU A 46 -7.078 -16.838 11.135 1.00 0.00 O ATOM 432 CB LEU A 46 -7.211 -13.704 12.219 1.00 0.00 C ATOM 433 CG LEU A 46 -6.286 -12.884 13.124 1.00 0.00 C ATOM 434 CD1 LEU A 46 -5.495 -11.885 12.273 1.00 0.00 C ATOM 435 CD2 LEU A 46 -7.128 -12.123 14.149 1.00 0.00 C ATOM 0 H LEU A 46 -6.247 -12.728 10.179 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.509 -14.949 11.748 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.878 -13.040 11.670 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.839 -14.358 12.824 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.594 -13.550 13.640 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.836 -11.301 12.916 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.899 -12.425 11.538 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.186 -11.217 11.759 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.474 -11.538 14.795 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.817 -11.456 13.631 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.695 -12.832 14.753 1.00 0.00 H new ATOM 447 N PHE A 47 -8.119 -15.392 9.762 1.00 0.00 N ATOM 448 CA PHE A 47 -8.980 -16.416 9.181 1.00 0.00 C ATOM 449 C PHE A 47 -8.150 -17.462 8.444 1.00 0.00 C ATOM 450 O PHE A 47 -8.366 -18.664 8.601 1.00 0.00 O ATOM 451 CB PHE A 47 -9.977 -15.772 8.211 1.00 0.00 C ATOM 452 CG PHE A 47 -11.017 -15.010 8.997 1.00 0.00 C ATOM 453 CD1 PHE A 47 -10.744 -13.712 9.444 1.00 0.00 C ATOM 454 CD2 PHE A 47 -12.253 -15.601 9.283 1.00 0.00 C ATOM 455 CE1 PHE A 47 -11.707 -13.008 10.178 1.00 0.00 C ATOM 456 CE2 PHE A 47 -13.215 -14.896 10.015 1.00 0.00 C ATOM 457 CZ PHE A 47 -12.942 -13.599 10.461 1.00 0.00 C ATOM 0 H PHE A 47 -8.262 -14.454 9.388 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.524 -16.907 9.988 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.456 -15.100 7.529 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.455 -16.538 7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.791 -13.254 9.223 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -12.465 -16.602 8.938 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.495 -12.008 10.526 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.168 -15.354 10.235 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.685 -13.054 11.024 1.00 0.00 H new ATOM 467 N PHE A 48 -7.193 -16.996 7.642 1.00 0.00 N ATOM 468 CA PHE A 48 -6.320 -17.893 6.878 1.00 0.00 C ATOM 469 C PHE A 48 -4.856 -17.530 7.097 1.00 0.00 C ATOM 470 O PHE A 48 -4.480 -16.358 7.033 1.00 0.00 O ATOM 471 CB PHE A 48 -6.656 -17.793 5.389 1.00 0.00 C ATOM 472 CG PHE A 48 -7.998 -18.435 5.135 1.00 0.00 C ATOM 473 CD1 PHE A 48 -8.075 -19.799 4.831 1.00 0.00 C ATOM 474 CD2 PHE A 48 -9.166 -17.667 5.208 1.00 0.00 C ATOM 475 CE1 PHE A 48 -9.320 -20.396 4.599 1.00 0.00 C ATOM 476 CE2 PHE A 48 -10.412 -18.263 4.975 1.00 0.00 C ATOM 477 CZ PHE A 48 -10.489 -19.627 4.670 1.00 0.00 C ATOM 0 H PHE A 48 -7.001 -16.004 7.503 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.482 -18.914 7.222 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.675 -16.748 5.078 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.886 -18.287 4.797 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.174 -20.391 4.775 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.106 -16.615 5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.379 -21.449 4.365 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.313 -17.670 5.031 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.450 -20.087 4.489 1.00 0.00 H new ATOM 487 N LYS A 49 -4.028 -18.543 7.351 1.00 0.00 N ATOM 488 CA LYS A 49 -2.598 -18.329 7.577 1.00 0.00 C ATOM 489 C LYS A 49 -1.803 -18.647 6.316 1.00 0.00 C ATOM 490 O LYS A 49 -1.913 -17.893 5.363 1.00 0.00 O ATOM 491 CB LYS A 49 -2.113 -19.219 8.722 1.00 0.00 C ATOM 492 CG LYS A 49 -2.747 -18.753 10.036 1.00 0.00 C ATOM 493 CD LYS A 49 -2.256 -19.638 11.183 1.00 0.00 C ATOM 494 CE LYS A 49 -2.885 -19.167 12.496 1.00 0.00 C ATOM 495 NZ LYS A 49 -2.399 -20.021 13.615 1.00 0.00 N ATOM 496 OXT LYS A 49 -1.096 -19.641 6.319 1.00 0.00 O ATOM 0 H LYS A 49 -4.322 -19.518 7.405 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.443 -17.282 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.378 -20.258 8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.026 -19.176 8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.486 -17.712 10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.834 -18.802 9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.521 -20.678 10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.169 -19.593 11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.627 -18.124 12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.972 -19.219 12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.827 -19.701 14.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.667 -21.010 13.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.364 -19.949 13.682 1.00 0.00 H new TER 510 LYS A 49 ATOM 511 N SER B 19 3.931 27.010 -8.926 1.00 0.00 N ATOM 512 CA SER B 19 2.621 26.444 -8.499 1.00 0.00 C ATOM 513 C SER B 19 2.400 25.104 -9.193 1.00 0.00 C ATOM 514 O SER B 19 1.703 24.234 -8.675 1.00 0.00 O ATOM 515 CB SER B 19 1.501 27.415 -8.873 1.00 0.00 C ATOM 516 OG SER B 19 0.246 26.764 -8.728 1.00 0.00 O ATOM 0 HA SER B 19 2.619 26.295 -7.419 1.00 0.00 H new ATOM 0 HB2 SER B 19 1.541 28.298 -8.235 1.00 0.00 H new ATOM 0 HB3 SER B 19 1.629 27.758 -9.900 1.00 0.00 H new ATOM 0 HG SER B 19 -0.474 27.385 -8.966 1.00 0.00 H new ATOM 524 N ASN B 20 2.998 24.943 -10.367 1.00 0.00 N ATOM 525 CA ASN B 20 2.860 23.704 -11.121 1.00 0.00 C ATOM 526 C ASN B 20 3.485 22.540 -10.354 1.00 0.00 C ATOM 527 O ASN B 20 2.952 21.431 -10.344 1.00 0.00 O ATOM 528 CB ASN B 20 3.535 23.841 -12.486 1.00 0.00 C ATOM 529 CG ASN B 20 3.400 22.539 -13.269 1.00 0.00 C ATOM 530 OD1 ASN B 20 2.870 21.556 -12.750 1.00 0.00 O ATOM 531 ND2 ASN B 20 3.849 22.471 -14.491 1.00 0.00 N ATOM 0 H ASN B 20 3.580 25.651 -10.815 1.00 0.00 H new ATOM 0 HA ASN B 20 1.798 23.504 -11.263 1.00 0.00 H new ATOM 0 HB2 ASN B 20 3.081 24.659 -13.045 1.00 0.00 H new ATOM 0 HB3 ASN B 20 4.588 24.089 -12.356 1.00 0.00 H new ATOM 0 HD21 ASN B 20 3.762 21.603 -15.019 1.00 0.00 H new ATOM 0 HD22 ASN B 20 4.288 23.286 -14.919 1.00 0.00 H new ATOM 538 N ASP B 21 4.622 22.807 -9.719 1.00 0.00 N ATOM 539 CA ASP B 21 5.323 21.779 -8.955 1.00 0.00 C ATOM 540 C ASP B 21 4.591 21.478 -7.650 1.00 0.00 C ATOM 541 O ASP B 21 4.981 20.580 -6.904 1.00 0.00 O ATOM 542 CB ASP B 21 6.746 22.246 -8.640 1.00 0.00 C ATOM 543 CG ASP B 21 7.569 22.322 -9.921 1.00 0.00 C ATOM 544 OD1 ASP B 21 7.112 21.807 -10.929 1.00 0.00 O ATOM 545 OD2 ASP B 21 8.647 22.893 -9.876 1.00 0.00 O ATOM 0 H ASP B 21 5.076 23.720 -9.717 1.00 0.00 H new ATOM 0 HA ASP B 21 5.356 20.871 -9.556 1.00 0.00 H new ATOM 0 HB2 ASP B 21 6.718 23.223 -8.158 1.00 0.00 H new ATOM 0 HB3 ASP B 21 7.216 21.558 -7.937 1.00 0.00 H new ATOM 550 N SER B 22 3.534 22.237 -7.374 1.00 0.00 N ATOM 551 CA SER B 22 2.766 22.039 -6.148 1.00 0.00 C ATOM 552 C SER B 22 2.185 20.630 -6.104 1.00 0.00 C ATOM 553 O SER B 22 2.224 19.965 -5.070 1.00 0.00 O ATOM 554 CB SER B 22 1.631 23.062 -6.074 1.00 0.00 C ATOM 555 OG SER B 22 0.936 22.904 -4.845 1.00 0.00 O ATOM 0 H SER B 22 3.192 22.987 -7.975 1.00 0.00 H new ATOM 0 HA SER B 22 3.433 22.173 -5.296 1.00 0.00 H new ATOM 0 HB2 SER B 22 2.031 24.073 -6.151 1.00 0.00 H new ATOM 0 HB3 SER B 22 0.947 22.925 -6.912 1.00 0.00 H new ATOM 0 HG SER B 22 0.209 23.559 -4.794 1.00 0.00 H new ATOM 561 N SER B 23 1.645 20.181 -7.238 1.00 0.00 N ATOM 562 CA SER B 23 1.054 18.842 -7.338 1.00 0.00 C ATOM 563 C SER B 23 1.786 18.021 -8.394 1.00 0.00 C ATOM 564 O SER B 23 1.535 18.170 -9.590 1.00 0.00 O ATOM 565 CB SER B 23 -0.422 18.958 -7.717 1.00 0.00 C ATOM 566 OG SER B 23 -0.982 17.656 -7.818 1.00 0.00 O ATOM 0 H SER B 23 1.604 20.723 -8.101 1.00 0.00 H new ATOM 0 HA SER B 23 1.146 18.344 -6.373 1.00 0.00 H new ATOM 0 HB2 SER B 23 -0.958 19.540 -6.967 1.00 0.00 H new ATOM 0 HB3 SER B 23 -0.526 19.486 -8.665 1.00 0.00 H new ATOM 0 HG SER B 23 -1.929 17.725 -8.059 1.00 0.00 H new ATOM 572 N ASP B 24 2.695 17.160 -7.948 1.00 0.00 N ATOM 573 CA ASP B 24 3.463 16.323 -8.869 1.00 0.00 C ATOM 574 C ASP B 24 2.643 15.093 -9.284 1.00 0.00 C ATOM 575 O ASP B 24 1.784 14.636 -8.533 1.00 0.00 O ATOM 576 CB ASP B 24 4.776 15.883 -8.198 1.00 0.00 C ATOM 577 CG ASP B 24 4.556 15.697 -6.700 1.00 0.00 C ATOM 578 OD1 ASP B 24 3.454 15.333 -6.327 1.00 0.00 O ATOM 579 OD2 ASP B 24 5.491 15.925 -5.951 1.00 0.00 O ATOM 0 H ASP B 24 2.918 17.022 -6.962 1.00 0.00 H new ATOM 0 HA ASP B 24 3.694 16.902 -9.763 1.00 0.00 H new ATOM 0 HB2 ASP B 24 5.127 14.951 -8.641 1.00 0.00 H new ATOM 0 HB3 ASP B 24 5.551 16.630 -8.371 1.00 0.00 H new ATOM 584 N PRO B 25 2.891 14.550 -10.457 1.00 0.00 N ATOM 585 CA PRO B 25 2.152 13.351 -10.960 1.00 0.00 C ATOM 586 C PRO B 25 2.467 12.098 -10.140 1.00 0.00 C ATOM 587 O PRO B 25 1.730 11.113 -10.183 1.00 0.00 O ATOM 588 CB PRO B 25 2.635 13.205 -12.416 1.00 0.00 C ATOM 589 CG PRO B 25 3.974 13.872 -12.446 1.00 0.00 C ATOM 590 CD PRO B 25 3.898 15.014 -11.429 1.00 0.00 C ATOM 0 HA PRO B 25 1.071 13.470 -10.882 1.00 0.00 H new ATOM 0 HB2 PRO B 25 2.709 12.156 -12.704 1.00 0.00 H new ATOM 0 HB3 PRO B 25 1.942 13.678 -13.112 1.00 0.00 H new ATOM 0 HG2 PRO B 25 4.766 13.170 -12.186 1.00 0.00 H new ATOM 0 HG3 PRO B 25 4.199 14.251 -13.443 1.00 0.00 H new ATOM 0 HD2 PRO B 25 4.862 15.191 -10.953 1.00 0.00 H new ATOM 0 HD3 PRO B 25 3.598 15.950 -11.900 1.00 0.00 H new ATOM 598 N LEU B 26 3.570 12.145 -9.401 1.00 0.00 N ATOM 599 CA LEU B 26 3.980 11.007 -8.585 1.00 0.00 C ATOM 600 C LEU B 26 2.928 10.705 -7.521 1.00 0.00 C ATOM 601 O LEU B 26 2.596 9.543 -7.278 1.00 0.00 O ATOM 602 CB LEU B 26 5.318 11.311 -7.907 1.00 0.00 C ATOM 603 CG LEU B 26 6.438 11.388 -8.958 1.00 0.00 C ATOM 604 CD1 LEU B 26 7.704 11.945 -8.298 1.00 0.00 C ATOM 605 CD2 LEU B 26 6.731 9.990 -9.544 1.00 0.00 C ATOM 0 H LEU B 26 4.192 12.952 -9.350 1.00 0.00 H new ATOM 0 HA LEU B 26 4.087 10.137 -9.232 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.253 12.254 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.548 10.537 -7.175 1.00 0.00 H new ATOM 0 HG LEU B 26 6.120 12.042 -9.770 1.00 0.00 H new ATOM 0 HD11 LEU B 26 8.504 12.003 -9.036 1.00 0.00 H new ATOM 0 HD12 LEU B 26 7.501 12.941 -7.904 1.00 0.00 H new ATOM 0 HD13 LEU B 26 8.009 11.288 -7.484 1.00 0.00 H new ATOM 0 HD21 LEU B 26 7.526 10.066 -10.286 1.00 0.00 H new ATOM 0 HD22 LEU B 26 7.043 9.318 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.831 9.597 -10.016 1.00 0.00 H new ATOM 617 N VAL B 27 2.408 11.753 -6.889 1.00 0.00 N ATOM 618 CA VAL B 27 1.391 11.582 -5.855 1.00 0.00 C ATOM 619 C VAL B 27 0.116 11.000 -6.455 1.00 0.00 C ATOM 620 O VAL B 27 -0.489 10.087 -5.891 1.00 0.00 O ATOM 621 CB VAL B 27 1.085 12.928 -5.192 1.00 0.00 C ATOM 622 CG1 VAL B 27 -0.069 12.764 -4.197 1.00 0.00 C ATOM 623 CG2 VAL B 27 2.328 13.424 -4.449 1.00 0.00 C ATOM 0 H VAL B 27 2.671 12.722 -7.072 1.00 0.00 H new ATOM 0 HA VAL B 27 1.773 10.891 -5.103 1.00 0.00 H new ATOM 0 HB VAL B 27 0.803 13.650 -5.958 1.00 0.00 H new ATOM 0 HG11 VAL B 27 -0.284 13.724 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -0.956 12.411 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL B 27 0.211 12.040 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL B 27 2.111 14.382 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL B 27 2.609 12.698 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.150 13.545 -5.155 1.00 0.00 H new ATOM 633 N VAL B 28 -0.290 11.538 -7.601 1.00 0.00 N ATOM 634 CA VAL B 28 -1.496 11.071 -8.275 1.00 0.00 C ATOM 635 C VAL B 28 -1.341 9.614 -8.702 1.00 0.00 C ATOM 636 O VAL B 28 -2.251 8.805 -8.525 1.00 0.00 O ATOM 637 CB VAL B 28 -1.778 11.939 -9.504 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.975 11.371 -10.272 1.00 0.00 C ATOM 639 CG2 VAL B 28 -2.094 13.367 -9.057 1.00 0.00 C ATOM 0 H VAL B 28 0.197 12.295 -8.081 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.331 11.147 -7.579 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.901 11.944 -10.151 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.174 11.991 -11.146 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.752 10.353 -10.592 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.852 11.364 -9.625 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.295 13.986 -9.931 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.970 13.360 -8.408 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -1.243 13.774 -8.512 1.00 0.00 H new ATOM 649 N ALA B 29 -0.184 9.285 -9.271 1.00 0.00 N ATOM 650 CA ALA B 29 0.072 7.923 -9.722 1.00 0.00 C ATOM 651 C ALA B 29 0.017 6.951 -8.550 1.00 0.00 C ATOM 652 O ALA B 29 -0.498 5.843 -8.677 1.00 0.00 O ATOM 653 CB ALA B 29 1.450 7.837 -10.383 1.00 0.00 C ATOM 0 H ALA B 29 0.584 9.937 -9.429 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.698 7.654 -10.445 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.631 6.815 -10.716 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.485 8.510 -11.240 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.217 8.125 -9.664 1.00 0.00 H new ATOM 659 N ALA B 30 0.552 7.371 -7.410 1.00 0.00 N ATOM 660 CA ALA B 30 0.556 6.517 -6.229 1.00 0.00 C ATOM 661 C ALA B 30 -0.869 6.207 -5.782 1.00 0.00 C ATOM 662 O ALA B 30 -1.175 5.078 -5.396 1.00 0.00 O ATOM 663 CB ALA B 30 1.313 7.204 -5.092 1.00 0.00 C ATOM 0 H ALA B 30 0.984 8.286 -7.278 1.00 0.00 H new ATOM 0 HA ALA B 30 1.053 5.581 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.312 6.560 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.341 7.394 -5.402 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.827 8.149 -4.850 1.00 0.00 H new ATOM 669 N ASN B 31 -1.735 7.213 -5.830 1.00 0.00 N ATOM 670 CA ASN B 31 -3.123 7.027 -5.422 1.00 0.00 C ATOM 671 C ASN B 31 -3.826 6.035 -6.348 1.00 0.00 C ATOM 672 O ASN B 31 -4.547 5.149 -5.889 1.00 0.00 O ATOM 673 CB ASN B 31 -3.856 8.370 -5.462 1.00 0.00 C ATOM 674 CG ASN B 31 -3.304 9.305 -4.388 1.00 0.00 C ATOM 675 OD1 ASN B 31 -2.572 8.824 -3.421 1.00 0.00 O flip ATOM 676 ND2 ASN B 31 -3.538 10.510 -4.439 1.00 0.00 N flip ATOM 0 H ASN B 31 -1.505 8.156 -6.144 1.00 0.00 H new ATOM 0 HA ASN B 31 -3.137 6.631 -4.407 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.741 8.826 -6.445 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -4.923 8.215 -5.305 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -4.110 10.887 -5.195 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -3.160 11.134 -3.726 1.00 0.00 H new ATOM 683 N ILE B 32 -3.604 6.187 -7.650 1.00 0.00 N ATOM 684 CA ILE B 32 -4.213 5.296 -8.633 1.00 0.00 C ATOM 685 C ILE B 32 -3.667 3.880 -8.479 1.00 0.00 C ATOM 686 O ILE B 32 -4.415 2.904 -8.540 1.00 0.00 O ATOM 687 CB ILE B 32 -3.936 5.813 -10.049 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.686 7.131 -10.261 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.421 4.785 -11.079 1.00 0.00 C ATOM 690 CD1 ILE B 32 -4.196 7.796 -11.548 1.00 0.00 C ATOM 0 H ILE B 32 -3.010 6.915 -8.048 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.290 5.274 -8.465 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.865 5.972 -10.173 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.759 6.946 -10.320 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.524 7.795 -9.412 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.222 5.156 -12.085 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.894 3.843 -10.929 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.492 4.625 -10.956 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.730 8.734 -11.699 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -3.127 7.995 -11.470 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.381 7.133 -12.393 1.00 0.00 H new ATOM 702 N ILE B 33 -2.356 3.779 -8.289 1.00 0.00 N ATOM 703 CA ILE B 33 -1.712 2.480 -8.142 1.00 0.00 C ATOM 704 C ILE B 33 -2.241 1.760 -6.898 1.00 0.00 C ATOM 705 O ILE B 33 -2.520 0.562 -6.939 1.00 0.00 O ATOM 706 CB ILE B 33 -0.190 2.672 -8.026 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.389 3.180 -9.371 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.471 1.341 -7.638 1.00 0.00 C ATOM 709 CD1 ILE B 33 0.698 2.014 -10.318 1.00 0.00 C ATOM 0 H ILE B 33 -1.722 4.576 -8.233 1.00 0.00 H new ATOM 0 HA ILE B 33 -1.937 1.872 -9.018 1.00 0.00 H new ATOM 0 HB ILE B 33 0.017 3.414 -7.254 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.323 3.857 -9.844 1.00 0.00 H new ATOM 0 HG13 ILE B 33 1.298 3.752 -9.186 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.549 1.480 -7.557 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.075 1.004 -6.680 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.258 0.593 -8.402 1.00 0.00 H new ATOM 0 HD11 ILE B 33 1.103 2.402 -11.253 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.429 1.352 -9.853 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.217 1.458 -10.522 1.00 0.00 H new ATOM 721 N GLY B 34 -2.373 2.492 -5.793 1.00 0.00 N ATOM 722 CA GLY B 34 -2.867 1.897 -4.553 1.00 0.00 C ATOM 723 C GLY B 34 -4.278 1.343 -4.738 1.00 0.00 C ATOM 724 O GLY B 34 -4.571 0.219 -4.332 1.00 0.00 O ATOM 0 H GLY B 34 -2.148 3.485 -5.730 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.197 1.098 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.867 2.646 -3.761 1.00 0.00 H new ATOM 728 N ILE B 35 -5.145 2.137 -5.360 1.00 0.00 N ATOM 729 CA ILE B 35 -6.521 1.714 -5.602 1.00 0.00 C ATOM 730 C ILE B 35 -6.549 0.522 -6.559 1.00 0.00 C ATOM 731 O ILE B 35 -7.295 -0.437 -6.353 1.00 0.00 O ATOM 732 CB ILE B 35 -7.335 2.874 -6.183 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.486 3.967 -5.120 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.722 2.373 -6.594 1.00 0.00 C ATOM 735 CD1 ILE B 35 -8.054 5.235 -5.762 1.00 0.00 C ATOM 0 H ILE B 35 -4.921 3.071 -5.704 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.965 1.412 -4.653 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.822 3.277 -7.056 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.146 3.624 -4.323 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.519 4.180 -4.664 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.300 3.200 -7.007 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.618 1.591 -7.346 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.237 1.971 -5.721 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -8.160 6.011 -5.004 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.378 5.582 -6.543 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -9.029 5.017 -6.197 1.00 0.00 H new ATOM 747 N LEU B 36 -5.731 0.590 -7.609 1.00 0.00 N ATOM 748 CA LEU B 36 -5.670 -0.488 -8.594 1.00 0.00 C ATOM 749 C LEU B 36 -5.252 -1.794 -7.917 1.00 0.00 C ATOM 750 O LEU B 36 -5.750 -2.868 -8.247 1.00 0.00 O ATOM 751 CB LEU B 36 -4.671 -0.136 -9.706 1.00 0.00 C ATOM 752 CG LEU B 36 -4.959 -0.976 -10.973 1.00 0.00 C ATOM 753 CD1 LEU B 36 -6.009 -0.274 -11.846 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.674 -1.147 -11.789 1.00 0.00 C ATOM 0 H LEU B 36 -5.106 1.374 -7.798 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.659 -0.614 -9.034 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.739 0.926 -9.942 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.653 -0.322 -9.362 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.334 -1.952 -10.663 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.204 -0.874 -12.735 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.932 -0.155 -11.279 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.637 0.706 -12.145 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.885 -1.739 -12.679 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.298 -0.168 -12.085 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.924 -1.656 -11.184 1.00 0.00 H new ATOM 766 N HIS B 37 -4.334 -1.692 -6.971 1.00 0.00 N ATOM 767 CA HIS B 37 -3.870 -2.871 -6.256 1.00 0.00 C ATOM 768 C HIS B 37 -4.995 -3.469 -5.418 1.00 0.00 C ATOM 769 O HIS B 37 -5.150 -4.686 -5.355 1.00 0.00 O ATOM 770 CB HIS B 37 -2.711 -2.502 -5.335 1.00 0.00 C ATOM 771 CG HIS B 37 -2.222 -3.739 -4.635 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.940 -4.229 -4.807 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.839 -4.601 -3.763 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.830 -5.340 -4.051 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.957 -5.607 -3.395 1.00 0.00 N ATOM 0 H HIS B 37 -3.899 -0.816 -6.682 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.540 -3.605 -6.991 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.902 -2.052 -5.911 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.033 -1.760 -4.605 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.858 -4.510 -3.416 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.065 -5.941 -3.986 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.134 -6.384 -2.759 1.00 0.00 H new ATOM 783 N LEU B 38 -5.751 -2.607 -4.744 1.00 0.00 N ATOM 784 CA LEU B 38 -6.829 -3.067 -3.869 1.00 0.00 C ATOM 785 C LEU B 38 -7.874 -3.882 -4.633 1.00 0.00 C ATOM 786 O LEU B 38 -8.275 -4.952 -4.182 1.00 0.00 O ATOM 787 CB LEU B 38 -7.492 -1.843 -3.195 1.00 0.00 C ATOM 788 CG LEU B 38 -7.018 -1.704 -1.737 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.301 -0.287 -1.243 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.755 -2.711 -0.842 1.00 0.00 C ATOM 0 H LEU B 38 -5.640 -1.594 -4.785 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.400 -3.723 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.247 -0.938 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.576 -1.949 -3.222 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.947 -1.904 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.966 -0.188 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.768 0.429 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.372 -0.090 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.411 -2.603 0.187 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.827 -2.522 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.550 -3.724 -1.189 1.00 0.00 H new ATOM 802 N ILE B 39 -8.316 -3.379 -5.777 1.00 0.00 N ATOM 803 CA ILE B 39 -9.317 -4.092 -6.561 1.00 0.00 C ATOM 804 C ILE B 39 -8.780 -5.462 -6.980 1.00 0.00 C ATOM 805 O ILE B 39 -9.498 -6.459 -6.939 1.00 0.00 O ATOM 806 CB ILE B 39 -9.713 -3.255 -7.787 1.00 0.00 C ATOM 807 CG1 ILE B 39 -8.454 -2.801 -8.517 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.497 -2.026 -7.326 1.00 0.00 C ATOM 809 CD1 ILE B 39 -8.827 -2.022 -9.778 1.00 0.00 C ATOM 0 H ILE B 39 -8.004 -2.495 -6.179 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.207 -4.250 -5.952 1.00 0.00 H new ATOM 0 HB ILE B 39 -10.329 -3.856 -8.456 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -7.849 -2.176 -7.860 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -7.846 -3.666 -8.782 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.780 -1.429 -8.193 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -11.395 -2.345 -6.796 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -9.876 -1.427 -6.660 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.919 -1.703 -10.291 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -9.412 -2.660 -10.440 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -9.416 -1.146 -9.504 1.00 0.00 H new ATOM 821 N LEU B 40 -7.515 -5.504 -7.380 1.00 0.00 N ATOM 822 CA LEU B 40 -6.900 -6.762 -7.790 1.00 0.00 C ATOM 823 C LEU B 40 -6.675 -7.693 -6.591 1.00 0.00 C ATOM 824 O LEU B 40 -6.952 -8.890 -6.667 1.00 0.00 O ATOM 825 CB LEU B 40 -5.563 -6.467 -8.490 1.00 0.00 C ATOM 826 CG LEU B 40 -5.819 -5.990 -9.937 1.00 0.00 C ATOM 827 CD1 LEU B 40 -4.626 -5.168 -10.432 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.004 -7.196 -10.872 1.00 0.00 C ATOM 0 H LEU B 40 -6.900 -4.692 -7.429 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.575 -7.270 -8.479 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.015 -5.704 -7.938 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.942 -7.363 -8.498 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.723 -5.380 -9.943 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -4.812 -4.835 -11.453 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -4.489 -4.301 -9.786 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.726 -5.783 -10.410 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.184 -6.844 -11.888 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -5.104 -7.811 -10.855 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.855 -7.789 -10.537 1.00 0.00 H new ATOM 840 N TRP B 41 -6.170 -7.137 -5.487 1.00 0.00 N ATOM 841 CA TRP B 41 -5.911 -7.931 -4.284 1.00 0.00 C ATOM 842 C TRP B 41 -7.215 -8.433 -3.661 1.00 0.00 C ATOM 843 O TRP B 41 -7.341 -9.613 -3.337 1.00 0.00 O ATOM 844 CB TRP B 41 -5.121 -7.091 -3.268 1.00 0.00 C ATOM 845 CG TRP B 41 -5.101 -7.766 -1.929 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.224 -8.722 -1.544 1.00 0.00 C ATOM 847 CD2 TRP B 41 -5.969 -7.527 -0.788 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.517 -9.099 -0.245 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.581 -8.385 0.265 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.051 -6.655 -0.568 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.246 -8.377 1.489 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.711 -6.643 0.669 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.308 -7.500 1.690 1.00 0.00 C ATOM 0 H TRP B 41 -5.934 -6.148 -5.401 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.321 -8.803 -4.567 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.101 -6.945 -3.623 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.571 -6.103 -3.177 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.426 -9.125 -2.151 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.009 -9.817 0.272 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.375 -5.991 -1.356 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.939 -9.048 2.278 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.536 -5.965 0.831 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.821 -7.484 2.640 1.00 0.00 H new ATOM 864 N ILE B 42 -8.178 -7.533 -3.487 1.00 0.00 N ATOM 865 CA ILE B 42 -9.454 -7.912 -2.888 1.00 0.00 C ATOM 866 C ILE B 42 -10.191 -8.892 -3.799 1.00 0.00 C ATOM 867 O ILE B 42 -10.775 -9.868 -3.332 1.00 0.00 O ATOM 868 CB ILE B 42 -10.315 -6.660 -2.647 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.476 -7.001 -1.706 1.00 0.00 C ATOM 870 CG2 ILE B 42 -10.881 -6.145 -3.977 1.00 0.00 C ATOM 871 CD1 ILE B 42 -12.184 -5.711 -1.284 1.00 0.00 C ATOM 0 H ILE B 42 -8.102 -6.550 -3.748 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.265 -8.398 -1.931 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.691 -5.888 -2.196 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.179 -7.668 -2.205 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -11.104 -7.529 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.489 -5.259 -3.795 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.060 -5.891 -4.648 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.497 -6.919 -4.435 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -13.010 -5.952 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -11.478 -5.060 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.569 -5.202 -2.167 1.00 0.00 H new ATOM 883 N LEU B 43 -10.154 -8.628 -5.099 1.00 0.00 N ATOM 884 CA LEU B 43 -10.815 -9.498 -6.063 1.00 0.00 C ATOM 885 C LEU B 43 -10.180 -10.886 -6.056 1.00 0.00 C ATOM 886 O LEU B 43 -10.874 -11.897 -6.123 1.00 0.00 O ATOM 887 CB LEU B 43 -10.727 -8.886 -7.469 1.00 0.00 C ATOM 888 CG LEU B 43 -11.350 -9.831 -8.506 1.00 0.00 C ATOM 889 CD1 LEU B 43 -12.797 -10.170 -8.119 1.00 0.00 C ATOM 890 CD2 LEU B 43 -11.338 -9.144 -9.876 1.00 0.00 C ATOM 0 H LEU B 43 -9.677 -7.824 -5.508 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.863 -9.595 -5.781 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -11.243 -7.926 -7.487 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.685 -8.693 -7.724 1.00 0.00 H new ATOM 0 HG LEU B 43 -10.771 -10.754 -8.543 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -13.225 -10.841 -8.864 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -12.808 -10.656 -7.144 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -13.386 -9.254 -8.075 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -11.779 -9.808 -10.620 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -11.916 -8.221 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -10.311 -8.914 -10.159 1.00 0.00 H new ATOM 902 N ASP B 44 -8.852 -10.923 -5.979 1.00 0.00 N ATOM 903 CA ASP B 44 -8.127 -12.189 -5.973 1.00 0.00 C ATOM 904 C ASP B 44 -8.506 -13.021 -4.752 1.00 0.00 C ATOM 905 O ASP B 44 -8.501 -14.252 -4.806 1.00 0.00 O ATOM 906 CB ASP B 44 -6.620 -11.928 -5.968 1.00 0.00 C ATOM 907 CG ASP B 44 -6.176 -11.403 -7.329 1.00 0.00 C ATOM 908 OD1 ASP B 44 -6.952 -11.506 -8.265 1.00 0.00 O ATOM 909 OD2 ASP B 44 -5.066 -10.902 -7.416 1.00 0.00 O ATOM 0 H ASP B 44 -8.259 -10.095 -5.920 1.00 0.00 H new ATOM 0 HA ASP B 44 -8.397 -12.743 -6.872 1.00 0.00 H new ATOM 0 HB2 ASP B 44 -6.371 -11.205 -5.191 1.00 0.00 H new ATOM 0 HB3 ASP B 44 -6.084 -12.847 -5.731 1.00 0.00 H new ATOM 914 N ARG B 45 -8.834 -12.347 -3.659 1.00 0.00 N ATOM 915 CA ARG B 45 -9.214 -13.038 -2.433 1.00 0.00 C ATOM 916 C ARG B 45 -10.392 -13.972 -2.690 1.00 0.00 C ATOM 917 O ARG B 45 -10.462 -15.065 -2.129 1.00 0.00 O ATOM 918 CB ARG B 45 -9.592 -12.020 -1.352 1.00 0.00 C ATOM 919 CG ARG B 45 -9.903 -12.751 -0.046 1.00 0.00 C ATOM 920 CD ARG B 45 -10.205 -11.728 1.048 1.00 0.00 C ATOM 921 NE ARG B 45 -10.551 -12.412 2.288 1.00 0.00 N ATOM 922 CZ ARG B 45 -9.610 -12.921 3.073 1.00 0.00 C ATOM 923 NH1 ARG B 45 -8.355 -12.827 2.728 1.00 0.00 N ATOM 924 NH2 ARG B 45 -9.942 -13.520 4.184 1.00 0.00 N ATOM 0 H ARG B 45 -8.845 -11.329 -3.595 1.00 0.00 H new ATOM 0 HA ARG B 45 -8.363 -13.628 -2.092 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -8.775 -11.315 -1.200 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -10.458 -11.440 -1.671 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -10.756 -13.416 -0.183 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -9.057 -13.373 0.246 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -9.338 -11.086 1.207 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -11.027 -11.083 0.737 1.00 0.00 H new ATOM 0 HE ARG B 45 -11.531 -12.501 2.556 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -8.099 -12.363 1.856 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -7.630 -13.218 3.330 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -10.924 -13.597 4.448 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -9.219 -13.912 4.788 1.00 0.00 H new ATOM 938 N LEU B 46 -11.323 -13.533 -3.532 1.00 0.00 N ATOM 939 CA LEU B 46 -12.498 -14.343 -3.836 1.00 0.00 C ATOM 940 C LEU B 46 -12.078 -15.663 -4.487 1.00 0.00 C ATOM 941 O LEU B 46 -12.602 -16.724 -4.148 1.00 0.00 O ATOM 942 CB LEU B 46 -13.422 -13.573 -4.791 1.00 0.00 C ATOM 943 CG LEU B 46 -14.236 -12.540 -4.010 1.00 0.00 C ATOM 944 CD1 LEU B 46 -13.293 -11.500 -3.396 1.00 0.00 C ATOM 945 CD2 LEU B 46 -15.211 -11.840 -4.960 1.00 0.00 C ATOM 0 H LEU B 46 -11.288 -12.633 -4.010 1.00 0.00 H new ATOM 0 HA LEU B 46 -13.027 -14.558 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -12.831 -13.076 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -14.091 -14.266 -5.301 1.00 0.00 H new ATOM 0 HG LEU B 46 -14.791 -13.040 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -13.875 -10.765 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -12.595 -11.995 -2.722 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -12.738 -10.999 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -15.793 -11.103 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -14.652 -11.341 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -15.883 -12.577 -5.399 1.00 0.00 H new ATOM 957 N PHE B 47 -11.132 -15.589 -5.419 1.00 0.00 N ATOM 958 CA PHE B 47 -10.652 -16.787 -6.102 1.00 0.00 C ATOM 959 C PHE B 47 -9.992 -17.742 -5.113 1.00 0.00 C ATOM 960 O PHE B 47 -10.252 -18.947 -5.131 1.00 0.00 O ATOM 961 CB PHE B 47 -9.650 -16.399 -7.195 1.00 0.00 C ATOM 962 CG PHE B 47 -10.386 -15.752 -8.344 1.00 0.00 C ATOM 963 CD1 PHE B 47 -10.718 -14.394 -8.285 1.00 0.00 C ATOM 964 CD2 PHE B 47 -10.742 -16.511 -9.464 1.00 0.00 C ATOM 965 CE1 PHE B 47 -11.407 -13.796 -9.347 1.00 0.00 C ATOM 966 CE2 PHE B 47 -11.430 -15.912 -10.527 1.00 0.00 C ATOM 967 CZ PHE B 47 -11.761 -14.553 -10.468 1.00 0.00 C ATOM 0 H PHE B 47 -10.686 -14.721 -5.717 1.00 0.00 H new ATOM 0 HA PHE B 47 -11.505 -17.291 -6.556 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -8.905 -15.712 -6.793 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -9.115 -17.282 -7.543 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -10.443 -13.808 -7.421 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -10.486 -17.559 -9.509 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -11.665 -12.748 -9.300 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -11.705 -16.498 -11.391 1.00 0.00 H new ATOM 0 HZ PHE B 47 -12.290 -14.090 -11.288 1.00 0.00 H new ATOM 977 N PHE B 48 -9.135 -17.196 -4.249 1.00 0.00 N ATOM 978 CA PHE B 48 -8.436 -18.002 -3.245 1.00 0.00 C ATOM 979 C PHE B 48 -8.598 -17.387 -1.859 1.00 0.00 C ATOM 980 O PHE B 48 -8.430 -16.182 -1.681 1.00 0.00 O ATOM 981 CB PHE B 48 -6.950 -18.087 -3.595 1.00 0.00 C ATOM 982 CG PHE B 48 -6.774 -18.959 -4.816 1.00 0.00 C ATOM 983 CD1 PHE B 48 -6.587 -20.338 -4.670 1.00 0.00 C ATOM 984 CD2 PHE B 48 -6.802 -18.387 -6.095 1.00 0.00 C ATOM 985 CE1 PHE B 48 -6.427 -21.147 -5.802 1.00 0.00 C ATOM 986 CE2 PHE B 48 -6.641 -19.196 -7.226 1.00 0.00 C ATOM 987 CZ PHE B 48 -6.455 -20.575 -7.080 1.00 0.00 C ATOM 0 H PHE B 48 -8.908 -16.202 -4.223 1.00 0.00 H new ATOM 0 HA PHE B 48 -8.869 -19.002 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE B 48 -6.552 -17.090 -3.785 1.00 0.00 H new ATOM 0 HB3 PHE B 48 -6.390 -18.499 -2.756 1.00 0.00 H new ATOM 0 HD1 PHE B 48 -6.566 -20.779 -3.684 1.00 0.00 H new ATOM 0 HD2 PHE B 48 -6.948 -17.323 -6.208 1.00 0.00 H new ATOM 0 HE1 PHE B 48 -6.282 -22.211 -5.689 1.00 0.00 H new ATOM 0 HE2 PHE B 48 -6.660 -18.755 -8.212 1.00 0.00 H new ATOM 0 HZ PHE B 48 -6.333 -21.199 -7.953 1.00 0.00 H new ATOM 997 N LYS B 49 -8.922 -18.228 -0.876 1.00 0.00 N ATOM 998 CA LYS B 49 -9.104 -17.766 0.502 1.00 0.00 C ATOM 999 C LYS B 49 -7.859 -18.058 1.333 1.00 0.00 C ATOM 1000 O LYS B 49 -6.848 -17.418 1.097 1.00 0.00 O ATOM 1001 CB LYS B 49 -10.312 -18.464 1.129 1.00 0.00 C ATOM 1002 CG LYS B 49 -11.591 -17.997 0.431 1.00 0.00 C ATOM 1003 CD LYS B 49 -12.801 -18.687 1.065 1.00 0.00 C ATOM 1004 CE LYS B 49 -14.080 -18.216 0.372 1.00 0.00 C ATOM 1005 NZ LYS B 49 -15.258 -18.879 0.995 1.00 0.00 N ATOM 1006 OXT LYS B 49 -7.936 -18.918 2.195 1.00 0.00 O ATOM 0 H LYS B 49 -9.064 -19.230 -1.007 1.00 0.00 H new ATOM 0 HA LYS B 49 -9.273 -16.689 0.486 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -10.209 -19.545 1.037 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -10.363 -18.238 2.194 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.690 -16.915 0.517 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -11.543 -18.229 -0.633 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.704 -19.769 0.975 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -12.847 -18.458 2.130 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -14.173 -17.133 0.455 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -14.037 -18.452 -0.691 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -16.127 -18.558 0.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -15.170 -19.910 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -15.301 -18.633 2.005 1.00 0.00 H new TER 1020 LYS B 49 ATOM 1021 N SER C 19 11.106 26.467 -0.257 1.00 0.00 N ATOM 1022 CA SER C 19 10.619 25.739 -1.463 1.00 0.00 C ATOM 1023 C SER C 19 11.198 24.329 -1.472 1.00 0.00 C ATOM 1024 O SER C 19 10.602 23.407 -2.023 1.00 0.00 O ATOM 1025 CB SER C 19 11.055 26.491 -2.720 1.00 0.00 C ATOM 1026 OG SER C 19 10.840 25.667 -3.858 1.00 0.00 O ATOM 0 HA SER C 19 9.531 25.678 -1.442 1.00 0.00 H new ATOM 0 HB2 SER C 19 10.491 27.419 -2.817 1.00 0.00 H new ATOM 0 HB3 SER C 19 12.108 26.764 -2.648 1.00 0.00 H new ATOM 0 HG SER C 19 11.117 26.147 -4.666 1.00 0.00 H new ATOM 1034 N ASN C 20 12.364 24.170 -0.856 1.00 0.00 N ATOM 1035 CA ASN C 20 13.012 22.865 -0.798 1.00 0.00 C ATOM 1036 C ASN C 20 12.161 21.881 0.001 1.00 0.00 C ATOM 1037 O ASN C 20 12.053 20.706 -0.352 1.00 0.00 O ATOM 1038 CB ASN C 20 14.392 22.994 -0.152 1.00 0.00 C ATOM 1039 CG ASN C 20 15.066 21.627 -0.081 1.00 0.00 C ATOM 1040 OD1 ASN C 20 14.463 20.620 -0.452 1.00 0.00 O ATOM 1041 ND2 ASN C 20 16.285 21.532 0.372 1.00 0.00 N ATOM 0 H ASN C 20 12.876 24.921 -0.394 1.00 0.00 H new ATOM 0 HA ASN C 20 13.124 22.489 -1.815 1.00 0.00 H new ATOM 0 HB2 ASN C 20 15.009 23.683 -0.728 1.00 0.00 H new ATOM 0 HB3 ASN C 20 14.296 23.413 0.849 1.00 0.00 H new ATOM 0 HD21 ASN C 20 16.742 20.621 0.420 1.00 0.00 H new ATOM 0 HD22 ASN C 20 16.782 22.368 0.679 1.00 0.00 H new ATOM 1048 N ASP C 21 11.565 22.371 1.084 1.00 0.00 N ATOM 1049 CA ASP C 21 10.729 21.533 1.937 1.00 0.00 C ATOM 1050 C ASP C 21 9.394 21.229 1.261 1.00 0.00 C ATOM 1051 O ASP C 21 8.584 20.465 1.785 1.00 0.00 O ATOM 1052 CB ASP C 21 10.471 22.242 3.268 1.00 0.00 C ATOM 1053 CG ASP C 21 11.764 22.338 4.070 1.00 0.00 C ATOM 1054 OD1 ASP C 21 12.727 21.696 3.683 1.00 0.00 O ATOM 1055 OD2 ASP C 21 11.774 23.052 5.059 1.00 0.00 O ATOM 0 H ASP C 21 11.645 23.340 1.391 1.00 0.00 H new ATOM 0 HA ASP C 21 11.255 20.595 2.113 1.00 0.00 H new ATOM 0 HB2 ASP C 21 10.072 23.240 3.086 1.00 0.00 H new ATOM 0 HB3 ASP C 21 9.719 21.697 3.839 1.00 0.00 H new ATOM 1060 N SER C 22 9.169 21.834 0.098 1.00 0.00 N ATOM 1061 CA SER C 22 7.921 21.621 -0.630 1.00 0.00 C ATOM 1062 C SER C 22 7.754 20.147 -0.983 1.00 0.00 C ATOM 1063 O SER C 22 6.671 19.582 -0.839 1.00 0.00 O ATOM 1064 CB SER C 22 7.916 22.456 -1.913 1.00 0.00 C ATOM 1065 OG SER C 22 6.671 22.290 -2.576 1.00 0.00 O ATOM 0 H SER C 22 9.826 22.468 -0.357 1.00 0.00 H new ATOM 0 HA SER C 22 7.092 21.929 0.008 1.00 0.00 H new ATOM 0 HB2 SER C 22 8.078 23.508 -1.677 1.00 0.00 H new ATOM 0 HB3 SER C 22 8.733 22.146 -2.565 1.00 0.00 H new ATOM 0 HG SER C 22 6.664 22.825 -3.397 1.00 0.00 H new ATOM 1071 N SER C 23 8.842 19.527 -1.446 1.00 0.00 N ATOM 1072 CA SER C 23 8.824 18.109 -1.820 1.00 0.00 C ATOM 1073 C SER C 23 9.821 17.328 -0.968 1.00 0.00 C ATOM 1074 O SER C 23 11.022 17.337 -1.239 1.00 0.00 O ATOM 1075 CB SER C 23 9.194 17.959 -3.295 1.00 0.00 C ATOM 1076 OG SER C 23 9.177 16.581 -3.646 1.00 0.00 O ATOM 0 H SER C 23 9.746 19.983 -1.571 1.00 0.00 H new ATOM 0 HA SER C 23 7.822 17.715 -1.652 1.00 0.00 H new ATOM 0 HB2 SER C 23 8.490 18.513 -3.916 1.00 0.00 H new ATOM 0 HB3 SER C 23 10.182 18.381 -3.479 1.00 0.00 H new ATOM 0 HG SER C 23 9.412 16.481 -4.592 1.00 0.00 H new ATOM 1082 N ASP C 24 9.317 16.658 0.065 1.00 0.00 N ATOM 1083 CA ASP C 24 10.180 15.879 0.954 1.00 0.00 C ATOM 1084 C ASP C 24 10.482 14.505 0.337 1.00 0.00 C ATOM 1085 O ASP C 24 9.684 13.984 -0.441 1.00 0.00 O ATOM 1086 CB ASP C 24 9.491 15.707 2.319 1.00 0.00 C ATOM 1087 CG ASP C 24 7.980 15.611 2.130 1.00 0.00 C ATOM 1088 OD1 ASP C 24 7.564 15.111 1.099 1.00 0.00 O ATOM 1089 OD2 ASP C 24 7.263 16.042 3.018 1.00 0.00 O ATOM 0 H ASP C 24 8.326 16.637 0.307 1.00 0.00 H new ATOM 0 HA ASP C 24 11.122 16.410 1.091 1.00 0.00 H new ATOM 0 HB2 ASP C 24 9.862 14.809 2.813 1.00 0.00 H new ATOM 0 HB3 ASP C 24 9.732 16.550 2.967 1.00 0.00 H new ATOM 1094 N PRO C 25 11.610 13.914 0.667 1.00 0.00 N ATOM 1095 CA PRO C 25 12.005 12.576 0.125 1.00 0.00 C ATOM 1096 C PRO C 25 11.089 11.461 0.632 1.00 0.00 C ATOM 1097 O PRO C 25 11.044 10.371 0.058 1.00 0.00 O ATOM 1098 CB PRO C 25 13.450 12.391 0.624 1.00 0.00 C ATOM 1099 CG PRO C 25 13.550 13.253 1.843 1.00 0.00 C ATOM 1100 CD PRO C 25 12.630 14.448 1.589 1.00 0.00 C ATOM 0 HA PRO C 25 11.924 12.528 -0.961 1.00 0.00 H new ATOM 0 HB2 PRO C 25 13.656 11.347 0.860 1.00 0.00 H new ATOM 0 HB3 PRO C 25 14.172 12.694 -0.134 1.00 0.00 H new ATOM 0 HG2 PRO C 25 13.242 12.706 2.734 1.00 0.00 H new ATOM 0 HG3 PRO C 25 14.577 13.579 2.008 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.182 14.812 2.514 1.00 0.00 H new ATOM 0 HD3 PRO C 25 13.172 15.284 1.146 1.00 0.00 H new ATOM 1108 N LEU C 26 10.372 11.739 1.714 1.00 0.00 N ATOM 1109 CA LEU C 26 9.472 10.749 2.295 1.00 0.00 C ATOM 1110 C LEU C 26 8.373 10.374 1.305 1.00 0.00 C ATOM 1111 O LEU C 26 8.033 9.199 1.158 1.00 0.00 O ATOM 1112 CB LEU C 26 8.836 11.313 3.570 1.00 0.00 C ATOM 1113 CG LEU C 26 9.904 11.478 4.666 1.00 0.00 C ATOM 1114 CD1 LEU C 26 9.307 12.279 5.827 1.00 0.00 C ATOM 1115 CD2 LEU C 26 10.378 10.100 5.174 1.00 0.00 C ATOM 0 H LEU C 26 10.395 12.633 2.204 1.00 0.00 H new ATOM 0 HA LEU C 26 10.050 9.856 2.535 1.00 0.00 H new ATOM 0 HB2 LEU C 26 8.370 12.275 3.358 1.00 0.00 H new ATOM 0 HB3 LEU C 26 8.047 10.646 3.918 1.00 0.00 H new ATOM 0 HG LEU C 26 10.763 12.006 4.251 1.00 0.00 H new ATOM 0 HD11 LEU C 26 10.057 12.401 6.609 1.00 0.00 H new ATOM 0 HD12 LEU C 26 8.993 13.260 5.469 1.00 0.00 H new ATOM 0 HD13 LEU C 26 8.445 11.747 6.231 1.00 0.00 H new ATOM 0 HD21 LEU C 26 11.133 10.238 5.948 1.00 0.00 H new ATOM 0 HD22 LEU C 26 9.530 9.553 5.587 1.00 0.00 H new ATOM 0 HD23 LEU C 26 10.806 9.535 4.346 1.00 0.00 H new ATOM 1127 N VAL C 27 7.822 11.377 0.626 1.00 0.00 N ATOM 1128 CA VAL C 27 6.764 11.135 -0.350 1.00 0.00 C ATOM 1129 C VAL C 27 7.299 10.313 -1.520 1.00 0.00 C ATOM 1130 O VAL C 27 6.656 9.367 -1.974 1.00 0.00 O ATOM 1131 CB VAL C 27 6.207 12.466 -0.863 1.00 0.00 C ATOM 1132 CG1 VAL C 27 5.191 12.207 -1.978 1.00 0.00 C ATOM 1133 CG2 VAL C 27 5.520 13.206 0.288 1.00 0.00 C ATOM 0 H VAL C 27 8.088 12.356 0.732 1.00 0.00 H new ATOM 0 HA VAL C 27 5.964 10.577 0.136 1.00 0.00 H new ATOM 0 HB VAL C 27 7.024 13.072 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL C 27 4.798 13.157 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL C 27 5.678 11.680 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL C 27 4.373 11.599 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL C 27 5.123 14.154 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL C 27 4.705 12.596 0.678 1.00 0.00 H new ATOM 0 HG23 VAL C 27 6.243 13.395 1.082 1.00 0.00 H new ATOM 1143 N VAL C 28 8.479 10.687 -2.004 1.00 0.00 N ATOM 1144 CA VAL C 28 9.098 9.985 -3.121 1.00 0.00 C ATOM 1145 C VAL C 28 9.408 8.539 -2.740 1.00 0.00 C ATOM 1146 O VAL C 28 9.154 7.616 -3.515 1.00 0.00 O ATOM 1147 CB VAL C 28 10.389 10.695 -3.536 1.00 0.00 C ATOM 1148 CG1 VAL C 28 11.095 9.887 -4.628 1.00 0.00 C ATOM 1149 CG2 VAL C 28 10.056 12.089 -4.071 1.00 0.00 C ATOM 0 H VAL C 28 9.024 11.469 -1.641 1.00 0.00 H new ATOM 0 HA VAL C 28 8.400 9.986 -3.958 1.00 0.00 H new ATOM 0 HB VAL C 28 11.045 10.783 -2.670 1.00 0.00 H new ATOM 0 HG11 VAL C 28 12.013 10.396 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.335 8.894 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.439 9.795 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL C 28 10.975 12.595 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.397 11.999 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.558 12.668 -3.293 1.00 0.00 H new ATOM 1159 N ALA C 29 9.962 8.351 -1.547 1.00 0.00 N ATOM 1160 CA ALA C 29 10.305 7.013 -1.081 1.00 0.00 C ATOM 1161 C ALA C 29 9.059 6.143 -0.984 1.00 0.00 C ATOM 1162 O ALA C 29 9.089 4.961 -1.318 1.00 0.00 O ATOM 1163 CB ALA C 29 10.975 7.088 0.292 1.00 0.00 C ATOM 0 H ALA C 29 10.181 9.100 -0.891 1.00 0.00 H new ATOM 0 HA ALA C 29 10.994 6.570 -1.800 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.226 6.083 0.630 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.884 7.685 0.221 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.292 7.550 1.005 1.00 0.00 H new ATOM 1169 N ALA C 30 7.963 6.733 -0.523 1.00 0.00 N ATOM 1170 CA ALA C 30 6.716 5.991 -0.386 1.00 0.00 C ATOM 1171 C ALA C 30 6.227 5.501 -1.745 1.00 0.00 C ATOM 1172 O ALA C 30 5.746 4.375 -1.870 1.00 0.00 O ATOM 1173 CB ALA C 30 5.651 6.879 0.258 1.00 0.00 C ATOM 0 H ALA C 30 7.912 7.712 -0.241 1.00 0.00 H new ATOM 0 HA ALA C 30 6.898 5.124 0.250 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.721 6.318 0.358 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.990 7.197 1.244 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.481 7.755 -0.368 1.00 0.00 H new ATOM 1179 N ASN C 31 6.348 6.352 -2.758 1.00 0.00 N ATOM 1180 CA ASN C 31 5.909 5.988 -4.100 1.00 0.00 C ATOM 1181 C ASN C 31 6.741 4.822 -4.636 1.00 0.00 C ATOM 1182 O ASN C 31 6.202 3.876 -5.211 1.00 0.00 O ATOM 1183 CB ASN C 31 6.053 7.188 -5.038 1.00 0.00 C ATOM 1184 CG ASN C 31 5.065 8.284 -4.655 1.00 0.00 C ATOM 1185 OD1 ASN C 31 5.198 9.423 -5.103 1.00 0.00 O ATOM 1186 ND2 ASN C 31 4.077 8.014 -3.844 1.00 0.00 N ATOM 0 H ASN C 31 6.742 7.289 -2.677 1.00 0.00 H new ATOM 0 HA ASN C 31 4.863 5.685 -4.052 1.00 0.00 H new ATOM 0 HB2 ASN C 31 7.071 7.575 -4.990 1.00 0.00 H new ATOM 0 HB3 ASN C 31 5.878 6.876 -6.068 1.00 0.00 H new ATOM 0 HD21 ASN C 31 3.417 8.746 -3.583 1.00 0.00 H new ATOM 0 HD22 ASN C 31 3.966 7.071 -3.472 1.00 0.00 H new ATOM 1193 N ILE C 32 8.054 4.900 -4.439 1.00 0.00 N ATOM 1194 CA ILE C 32 8.953 3.846 -4.900 1.00 0.00 C ATOM 1195 C ILE C 32 8.694 2.549 -4.139 1.00 0.00 C ATOM 1196 O ILE C 32 8.665 1.467 -4.724 1.00 0.00 O ATOM 1197 CB ILE C 32 10.411 4.282 -4.709 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.719 5.446 -5.655 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.347 3.110 -5.026 1.00 0.00 C ATOM 1200 CD1 ILE C 32 12.061 6.072 -5.275 1.00 0.00 C ATOM 0 H ILE C 32 8.517 5.676 -3.967 1.00 0.00 H new ATOM 0 HA ILE C 32 8.767 3.670 -5.959 1.00 0.00 H new ATOM 0 HB ILE C 32 10.562 4.596 -3.676 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.750 5.092 -6.686 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.928 6.194 -5.598 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.382 3.424 -4.889 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.128 2.278 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.197 2.794 -6.058 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.280 6.900 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE C 32 12.013 6.440 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.848 5.322 -5.355 1.00 0.00 H new ATOM 1212 N ILE C 33 8.512 2.671 -2.831 1.00 0.00 N ATOM 1213 CA ILE C 33 8.266 1.505 -1.990 1.00 0.00 C ATOM 1214 C ILE C 33 6.962 0.815 -2.400 1.00 0.00 C ATOM 1215 O ILE C 33 6.904 -0.411 -2.489 1.00 0.00 O ATOM 1216 CB ILE C 33 8.187 1.942 -0.516 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.576 2.422 -0.024 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.701 0.767 0.345 1.00 0.00 C ATOM 1219 CD1 ILE C 33 10.431 1.244 0.459 1.00 0.00 C ATOM 0 H ILE C 33 8.530 3.560 -2.331 1.00 0.00 H new ATOM 0 HA ILE C 33 9.086 0.798 -2.116 1.00 0.00 H new ATOM 0 HB ILE C 33 7.482 2.768 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.091 2.942 -0.832 1.00 0.00 H new ATOM 0 HG13 ILE C 33 9.450 3.139 0.787 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.646 1.079 1.388 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.713 0.453 0.007 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.398 -0.065 0.251 1.00 0.00 H new ATOM 0 HD11 ILE C 33 11.399 1.612 0.798 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.925 0.741 1.283 1.00 0.00 H new ATOM 0 HD13 ILE C 33 10.577 0.540 -0.360 1.00 0.00 H new ATOM 1231 N GLY C 34 5.921 1.606 -2.645 1.00 0.00 N ATOM 1232 CA GLY C 34 4.630 1.046 -3.041 1.00 0.00 C ATOM 1233 C GLY C 34 4.752 0.265 -4.345 1.00 0.00 C ATOM 1234 O GLY C 34 4.254 -0.856 -4.457 1.00 0.00 O ATOM 0 H GLY C 34 5.943 2.624 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.256 0.391 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.902 1.849 -3.160 1.00 0.00 H new ATOM 1238 N ILE C 35 5.423 0.860 -5.328 1.00 0.00 N ATOM 1239 CA ILE C 35 5.614 0.208 -6.620 1.00 0.00 C ATOM 1240 C ILE C 35 6.471 -1.048 -6.461 1.00 0.00 C ATOM 1241 O ILE C 35 6.178 -2.090 -7.046 1.00 0.00 O ATOM 1242 CB ILE C 35 6.278 1.175 -7.605 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.305 2.315 -7.926 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.629 0.432 -8.899 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.042 3.420 -8.686 1.00 0.00 C ATOM 0 H ILE C 35 5.841 1.787 -5.255 1.00 0.00 H new ATOM 0 HA ILE C 35 4.639 -0.082 -7.011 1.00 0.00 H new ATOM 0 HB ILE C 35 7.188 1.578 -7.160 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.474 1.940 -8.524 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.880 2.714 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.101 1.122 -9.598 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.316 -0.384 -8.675 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.720 0.029 -9.345 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.349 4.230 -8.913 1.00 0.00 H new ATOM 0 HD12 ILE C 35 6.858 3.802 -8.072 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.445 3.016 -9.615 1.00 0.00 H new ATOM 1257 N LEU C 36 7.532 -0.939 -5.664 1.00 0.00 N ATOM 1258 CA LEU C 36 8.429 -2.070 -5.435 1.00 0.00 C ATOM 1259 C LEU C 36 7.654 -3.234 -4.818 1.00 0.00 C ATOM 1260 O LEU C 36 7.891 -4.398 -5.139 1.00 0.00 O ATOM 1261 CB LEU C 36 9.579 -1.659 -4.502 1.00 0.00 C ATOM 1262 CG LEU C 36 10.769 -2.636 -4.657 1.00 0.00 C ATOM 1263 CD1 LEU C 36 11.683 -2.180 -5.801 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.584 -2.671 -3.359 1.00 0.00 C ATOM 0 H LEU C 36 7.791 -0.085 -5.169 1.00 0.00 H new ATOM 0 HA LEU C 36 8.846 -2.383 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU C 36 9.900 -0.644 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.234 -1.656 -3.468 1.00 0.00 H new ATOM 0 HG LEU C 36 10.376 -3.629 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU C 36 12.516 -2.875 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU C 36 11.117 -2.157 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU C 36 12.066 -1.183 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.421 -3.360 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU C 36 11.963 -1.673 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU C 36 10.948 -3.005 -2.539 1.00 0.00 H new ATOM 1276 N HIS C 37 6.729 -2.916 -3.928 1.00 0.00 N ATOM 1277 CA HIS C 37 5.927 -3.946 -3.285 1.00 0.00 C ATOM 1278 C HIS C 37 5.030 -4.640 -4.301 1.00 0.00 C ATOM 1279 O HIS C 37 4.868 -5.859 -4.265 1.00 0.00 O ATOM 1280 CB HIS C 37 5.053 -3.326 -2.196 1.00 0.00 C ATOM 1281 CG HIS C 37 4.263 -4.412 -1.520 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.413 -4.713 -0.179 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.316 -5.284 -1.996 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.573 -5.726 0.103 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.881 -6.111 -0.970 1.00 0.00 N ATOM 0 H HIS C 37 6.515 -1.963 -3.635 1.00 0.00 H new ATOM 0 HA HIS C 37 6.605 -4.677 -2.845 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.674 -2.804 -1.468 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.380 -2.586 -2.630 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.962 -5.321 -3.016 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.472 -6.173 1.081 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.183 -6.853 -1.025 1.00 0.00 H new ATOM 1293 N LEU C 38 4.419 -3.857 -5.183 1.00 0.00 N ATOM 1294 CA LEU C 38 3.497 -4.406 -6.177 1.00 0.00 C ATOM 1295 C LEU C 38 4.180 -5.433 -7.083 1.00 0.00 C ATOM 1296 O LEU C 38 3.638 -6.512 -7.309 1.00 0.00 O ATOM 1297 CB LEU C 38 2.920 -3.247 -7.023 1.00 0.00 C ATOM 1298 CG LEU C 38 1.483 -2.918 -6.580 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.105 -1.527 -7.082 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.502 -3.951 -7.153 1.00 0.00 C ATOM 0 H LEU C 38 4.543 -2.846 -5.232 1.00 0.00 H new ATOM 0 HA LEU C 38 2.694 -4.924 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.550 -2.364 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.928 -3.520 -8.078 1.00 0.00 H new ATOM 0 HG LEU C 38 1.431 -2.945 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.088 -1.291 -6.770 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.792 -0.791 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.165 -1.504 -8.170 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.511 -3.708 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.552 -3.935 -8.242 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.768 -4.945 -6.792 1.00 0.00 H new ATOM 1312 N ILE C 39 5.354 -5.101 -7.598 1.00 0.00 N ATOM 1313 CA ILE C 39 6.065 -6.023 -8.474 1.00 0.00 C ATOM 1314 C ILE C 39 6.377 -7.321 -7.729 1.00 0.00 C ATOM 1315 O ILE C 39 6.248 -8.413 -8.283 1.00 0.00 O ATOM 1316 CB ILE C 39 7.348 -5.360 -8.995 1.00 0.00 C ATOM 1317 CG1 ILE C 39 8.129 -4.777 -7.821 1.00 0.00 C ATOM 1318 CG2 ILE C 39 6.980 -4.234 -9.962 1.00 0.00 C ATOM 1319 CD1 ILE C 39 9.444 -4.169 -8.313 1.00 0.00 C ATOM 0 H ILE C 39 5.830 -4.215 -7.429 1.00 0.00 H new ATOM 0 HA ILE C 39 5.435 -6.269 -9.329 1.00 0.00 H new ATOM 0 HB ILE C 39 7.958 -6.102 -9.510 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.532 -4.015 -7.320 1.00 0.00 H new ATOM 0 HG13 ILE C 39 8.332 -5.556 -7.087 1.00 0.00 H new ATOM 0 HG21 ILE C 39 7.889 -3.762 -10.333 1.00 0.00 H new ATOM 0 HG22 ILE C 39 6.416 -4.644 -10.800 1.00 0.00 H new ATOM 0 HG23 ILE C 39 6.372 -3.493 -9.443 1.00 0.00 H new ATOM 0 HD11 ILE C 39 9.993 -3.756 -7.467 1.00 0.00 H new ATOM 0 HD12 ILE C 39 10.045 -4.941 -8.793 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.232 -3.376 -9.030 1.00 0.00 H new ATOM 1331 N LEU C 40 6.788 -7.197 -6.472 1.00 0.00 N ATOM 1332 CA LEU C 40 7.103 -8.372 -5.667 1.00 0.00 C ATOM 1333 C LEU C 40 5.837 -9.157 -5.299 1.00 0.00 C ATOM 1334 O LEU C 40 5.813 -10.384 -5.382 1.00 0.00 O ATOM 1335 CB LEU C 40 7.842 -7.931 -4.392 1.00 0.00 C ATOM 1336 CG LEU C 40 9.318 -7.620 -4.721 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.894 -6.667 -3.671 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.150 -8.913 -4.716 1.00 0.00 C ATOM 0 H LEU C 40 6.910 -6.305 -5.992 1.00 0.00 H new ATOM 0 HA LEU C 40 7.741 -9.032 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.361 -7.049 -3.969 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.786 -8.717 -3.639 1.00 0.00 H new ATOM 0 HG LEU C 40 9.360 -7.161 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.936 -6.451 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.322 -5.739 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.835 -7.131 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.188 -8.678 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU C 40 10.095 -9.377 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.757 -9.602 -5.464 1.00 0.00 H new ATOM 1350 N TRP C 41 4.785 -8.442 -4.889 1.00 0.00 N ATOM 1351 CA TRP C 41 3.527 -9.083 -4.508 1.00 0.00 C ATOM 1352 C TRP C 41 2.848 -9.728 -5.718 1.00 0.00 C ATOM 1353 O TRP C 41 2.425 -10.883 -5.658 1.00 0.00 O ATOM 1354 CB TRP C 41 2.592 -8.048 -3.859 1.00 0.00 C ATOM 1355 CG TRP C 41 1.205 -8.602 -3.732 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.755 -9.372 -2.715 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.075 -8.408 -4.628 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.576 -9.681 -2.944 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.039 -9.103 -4.108 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.088 -7.702 -5.833 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.269 -9.099 -4.762 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.328 -7.691 -6.485 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.413 -8.388 -5.952 1.00 0.00 C ATOM 0 H TRP C 41 4.781 -7.425 -4.813 1.00 0.00 H new ATOM 0 HA TRP C 41 3.746 -9.872 -3.788 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.972 -7.772 -2.875 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.573 -7.139 -4.460 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.338 -9.693 -1.864 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.143 -10.264 -2.328 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.747 -7.165 -6.258 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.106 -9.643 -4.350 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.445 -7.139 -7.406 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.365 -8.376 -6.462 1.00 0.00 H new ATOM 1374 N ILE C 42 2.735 -8.978 -6.810 1.00 0.00 N ATOM 1375 CA ILE C 42 2.093 -9.501 -8.012 1.00 0.00 C ATOM 1376 C ILE C 42 2.911 -10.658 -8.584 1.00 0.00 C ATOM 1377 O ILE C 42 2.361 -11.672 -9.009 1.00 0.00 O ATOM 1378 CB ILE C 42 1.943 -8.385 -9.057 1.00 0.00 C ATOM 1379 CG1 ILE C 42 0.963 -8.825 -10.151 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.304 -8.074 -9.697 1.00 0.00 C ATOM 1381 CD1 ILE C 42 0.639 -7.631 -11.051 1.00 0.00 C ATOM 0 H ILE C 42 3.074 -8.019 -6.888 1.00 0.00 H new ATOM 0 HA ILE C 42 1.102 -9.871 -7.751 1.00 0.00 H new ATOM 0 HB ILE C 42 1.563 -7.492 -8.561 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.397 -9.632 -10.741 1.00 0.00 H new ATOM 0 HG13 ILE C 42 0.050 -9.215 -9.702 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.186 -7.282 -10.436 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.003 -7.750 -8.926 1.00 0.00 H new ATOM 0 HG23 ILE C 42 3.690 -8.970 -10.184 1.00 0.00 H new ATOM 0 HD11 ILE C 42 -0.058 -7.941 -11.830 1.00 0.00 H new ATOM 0 HD12 ILE C 42 0.187 -6.838 -10.455 1.00 0.00 H new ATOM 0 HD13 ILE C 42 1.556 -7.262 -11.510 1.00 0.00 H new ATOM 1393 N LEU C 43 4.229 -10.498 -8.588 1.00 0.00 N ATOM 1394 CA LEU C 43 5.112 -11.538 -9.105 1.00 0.00 C ATOM 1395 C LEU C 43 5.000 -12.804 -8.259 1.00 0.00 C ATOM 1396 O LEU C 43 4.974 -13.913 -8.787 1.00 0.00 O ATOM 1397 CB LEU C 43 6.562 -11.036 -9.113 1.00 0.00 C ATOM 1398 CG LEU C 43 7.514 -12.149 -9.581 1.00 0.00 C ATOM 1399 CD1 LEU C 43 7.081 -12.676 -10.958 1.00 0.00 C ATOM 1400 CD2 LEU C 43 8.932 -11.583 -9.675 1.00 0.00 C ATOM 0 H LEU C 43 4.707 -9.666 -8.242 1.00 0.00 H new ATOM 0 HA LEU C 43 4.811 -11.776 -10.125 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.651 -10.172 -9.772 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.844 -10.704 -8.114 1.00 0.00 H new ATOM 0 HG LEU C 43 7.485 -12.971 -8.866 1.00 0.00 H new ATOM 0 HD11 LEU C 43 7.764 -13.463 -11.277 1.00 0.00 H new ATOM 0 HD12 LEU C 43 6.070 -13.077 -10.893 1.00 0.00 H new ATOM 0 HD13 LEU C 43 7.102 -11.862 -11.682 1.00 0.00 H new ATOM 0 HD21 LEU C 43 9.615 -12.365 -10.006 1.00 0.00 H new ATOM 0 HD22 LEU C 43 8.949 -10.760 -10.390 1.00 0.00 H new ATOM 0 HD23 LEU C 43 9.244 -11.220 -8.696 1.00 0.00 H new ATOM 1412 N ASP C 44 4.937 -12.625 -6.944 1.00 0.00 N ATOM 1413 CA ASP C 44 4.837 -13.756 -6.028 1.00 0.00 C ATOM 1414 C ASP C 44 3.549 -14.536 -6.272 1.00 0.00 C ATOM 1415 O ASP C 44 3.501 -15.751 -6.076 1.00 0.00 O ATOM 1416 CB ASP C 44 4.873 -13.264 -4.581 1.00 0.00 C ATOM 1417 CG ASP C 44 6.277 -12.789 -4.224 1.00 0.00 C ATOM 1418 OD1 ASP C 44 7.192 -13.089 -4.974 1.00 0.00 O ATOM 1419 OD2 ASP C 44 6.417 -12.133 -3.207 1.00 0.00 O ATOM 0 H ASP C 44 4.953 -11.712 -6.490 1.00 0.00 H new ATOM 0 HA ASP C 44 5.685 -14.417 -6.207 1.00 0.00 H new ATOM 0 HB2 ASP C 44 4.160 -12.450 -4.448 1.00 0.00 H new ATOM 0 HB3 ASP C 44 4.570 -14.066 -3.908 1.00 0.00 H new ATOM 1424 N ARG C 45 2.510 -13.833 -6.703 1.00 0.00 N ATOM 1425 CA ARG C 45 1.226 -14.473 -6.971 1.00 0.00 C ATOM 1426 C ARG C 45 1.393 -15.598 -7.988 1.00 0.00 C ATOM 1427 O ARG C 45 0.745 -16.639 -7.886 1.00 0.00 O ATOM 1428 CB ARG C 45 0.227 -13.444 -7.504 1.00 0.00 C ATOM 1429 CG ARG C 45 -1.139 -14.103 -7.696 1.00 0.00 C ATOM 1430 CD ARG C 45 -2.150 -13.053 -8.155 1.00 0.00 C ATOM 1431 NE ARG C 45 -3.447 -13.678 -8.391 1.00 0.00 N ATOM 1432 CZ ARG C 45 -4.261 -13.967 -7.382 1.00 0.00 C ATOM 1433 NH1 ARG C 45 -3.898 -13.701 -6.157 1.00 0.00 N ATOM 1434 NH2 ARG C 45 -5.420 -14.518 -7.617 1.00 0.00 N ATOM 0 H ARG C 45 2.529 -12.828 -6.874 1.00 0.00 H new ATOM 0 HA ARG C 45 0.849 -14.892 -6.038 1.00 0.00 H new ATOM 0 HB2 ARG C 45 0.144 -12.609 -6.808 1.00 0.00 H new ATOM 0 HB3 ARG C 45 0.581 -13.036 -8.451 1.00 0.00 H new ATOM 0 HG2 ARG C 45 -1.069 -14.903 -8.433 1.00 0.00 H new ATOM 0 HG3 ARG C 45 -1.470 -14.558 -6.763 1.00 0.00 H new ATOM 0 HD2 ARG C 45 -2.245 -12.273 -7.399 1.00 0.00 H new ATOM 0 HD3 ARG C 45 -1.798 -12.572 -9.067 1.00 0.00 H new ATOM 0 HE ARG C 45 -3.733 -13.896 -9.345 1.00 0.00 H new ATOM 0 HH11 ARG C 45 -2.991 -13.272 -5.976 1.00 0.00 H new ATOM 0 HH12 ARG C 45 -4.522 -13.922 -5.381 1.00 0.00 H new ATOM 0 HH21 ARG C 45 -5.701 -14.727 -8.575 1.00 0.00 H new ATOM 0 HH22 ARG C 45 -6.045 -14.740 -6.843 1.00 0.00 H new ATOM 1448 N LEU C 46 2.255 -15.379 -8.976 1.00 0.00 N ATOM 1449 CA LEU C 46 2.480 -16.386 -10.009 1.00 0.00 C ATOM 1450 C LEU C 46 3.026 -17.673 -9.388 1.00 0.00 C ATOM 1451 O LEU C 46 2.598 -18.771 -9.742 1.00 0.00 O ATOM 1452 CB LEU C 46 3.481 -15.849 -11.042 1.00 0.00 C ATOM 1453 CG LEU C 46 2.775 -14.894 -12.010 1.00 0.00 C ATOM 1454 CD1 LEU C 46 2.259 -13.675 -11.240 1.00 0.00 C ATOM 1455 CD2 LEU C 46 3.767 -14.438 -13.082 1.00 0.00 C ATOM 0 H LEU C 46 2.803 -14.525 -9.084 1.00 0.00 H new ATOM 0 HA LEU C 46 1.531 -16.606 -10.498 1.00 0.00 H new ATOM 0 HB2 LEU C 46 4.295 -15.330 -10.536 1.00 0.00 H new ATOM 0 HB3 LEU C 46 3.925 -16.677 -11.594 1.00 0.00 H new ATOM 0 HG LEU C 46 1.936 -15.406 -12.482 1.00 0.00 H new ATOM 0 HD11 LEU C 46 1.757 -12.996 -11.929 1.00 0.00 H new ATOM 0 HD12 LEU C 46 1.556 -14.000 -10.473 1.00 0.00 H new ATOM 0 HD13 LEU C 46 3.097 -13.161 -10.769 1.00 0.00 H new ATOM 0 HD21 LEU C 46 3.269 -13.758 -13.773 1.00 0.00 H new ATOM 0 HD22 LEU C 46 4.604 -13.925 -12.608 1.00 0.00 H new ATOM 0 HD23 LEU C 46 4.136 -15.306 -13.629 1.00 0.00 H new ATOM 1467 N PHE C 47 3.971 -17.529 -8.463 1.00 0.00 N ATOM 1468 CA PHE C 47 4.563 -18.689 -7.802 1.00 0.00 C ATOM 1469 C PHE C 47 3.508 -19.446 -7.001 1.00 0.00 C ATOM 1470 O PHE C 47 3.423 -20.672 -7.071 1.00 0.00 O ATOM 1471 CB PHE C 47 5.695 -18.240 -6.874 1.00 0.00 C ATOM 1472 CG PHE C 47 6.883 -17.811 -7.703 1.00 0.00 C ATOM 1473 CD1 PHE C 47 6.930 -16.522 -8.244 1.00 0.00 C ATOM 1474 CD2 PHE C 47 7.934 -18.706 -7.935 1.00 0.00 C ATOM 1475 CE1 PHE C 47 8.028 -16.127 -9.017 1.00 0.00 C ATOM 1476 CE2 PHE C 47 9.033 -18.311 -8.707 1.00 0.00 C ATOM 1477 CZ PHE C 47 9.081 -17.021 -9.248 1.00 0.00 C ATOM 0 H PHE C 47 4.341 -16.629 -8.156 1.00 0.00 H new ATOM 0 HA PHE C 47 4.965 -19.355 -8.566 1.00 0.00 H new ATOM 0 HB2 PHE C 47 5.359 -17.415 -6.245 1.00 0.00 H new ATOM 0 HB3 PHE C 47 5.978 -19.054 -6.207 1.00 0.00 H new ATOM 0 HD1 PHE C 47 6.119 -15.831 -8.065 1.00 0.00 H new ATOM 0 HD2 PHE C 47 7.897 -19.702 -7.518 1.00 0.00 H new ATOM 0 HE1 PHE C 47 8.063 -15.132 -9.436 1.00 0.00 H new ATOM 0 HE2 PHE C 47 9.844 -19.002 -8.885 1.00 0.00 H new ATOM 0 HZ PHE C 47 9.929 -16.715 -9.843 1.00 0.00 H new ATOM 1487 N PHE C 48 2.702 -18.703 -6.242 1.00 0.00 N ATOM 1488 CA PHE C 48 1.644 -19.305 -5.425 1.00 0.00 C ATOM 1489 C PHE C 48 0.311 -18.612 -5.681 1.00 0.00 C ATOM 1490 O PHE C 48 0.232 -17.383 -5.704 1.00 0.00 O ATOM 1491 CB PHE C 48 2.007 -19.185 -3.944 1.00 0.00 C ATOM 1492 CG PHE C 48 3.155 -20.116 -3.634 1.00 0.00 C ATOM 1493 CD1 PHE C 48 2.899 -21.433 -3.233 1.00 0.00 C ATOM 1494 CD2 PHE C 48 4.473 -19.663 -3.749 1.00 0.00 C ATOM 1495 CE1 PHE C 48 3.964 -22.297 -2.949 1.00 0.00 C ATOM 1496 CE2 PHE C 48 5.538 -20.527 -3.465 1.00 0.00 C ATOM 1497 CZ PHE C 48 5.283 -21.843 -3.065 1.00 0.00 C ATOM 0 H PHE C 48 2.760 -17.687 -6.175 1.00 0.00 H new ATOM 0 HA PHE C 48 1.550 -20.357 -5.696 1.00 0.00 H new ATOM 0 HB2 PHE C 48 2.283 -18.157 -3.708 1.00 0.00 H new ATOM 0 HB3 PHE C 48 1.145 -19.434 -3.325 1.00 0.00 H new ATOM 0 HD1 PHE C 48 1.881 -21.782 -3.143 1.00 0.00 H new ATOM 0 HD2 PHE C 48 4.670 -18.647 -4.057 1.00 0.00 H new ATOM 0 HE1 PHE C 48 3.768 -23.313 -2.641 1.00 0.00 H new ATOM 0 HE2 PHE C 48 6.556 -20.177 -3.555 1.00 0.00 H new ATOM 0 HZ PHE C 48 6.104 -22.509 -2.846 1.00 0.00 H new ATOM 1507 N LYS C 49 -0.742 -19.408 -5.870 1.00 0.00 N ATOM 1508 CA LYS C 49 -2.078 -18.868 -6.123 1.00 0.00 C ATOM 1509 C LYS C 49 -2.916 -18.894 -4.848 1.00 0.00 C ATOM 1510 O LYS C 49 -2.616 -18.125 -3.950 1.00 0.00 O ATOM 1511 CB LYS C 49 -2.777 -19.692 -7.206 1.00 0.00 C ATOM 1512 CG LYS C 49 -2.060 -19.490 -8.544 1.00 0.00 C ATOM 1513 CD LYS C 49 -2.763 -20.306 -9.629 1.00 0.00 C ATOM 1514 CE LYS C 49 -2.049 -20.097 -10.966 1.00 0.00 C ATOM 1515 NZ LYS C 49 -2.740 -20.884 -12.027 1.00 0.00 N ATOM 1516 OXT LYS C 49 -3.845 -19.682 -4.789 1.00 0.00 O ATOM 0 H LYS C 49 -0.696 -20.427 -5.853 1.00 0.00 H new ATOM 0 HA LYS C 49 -1.974 -17.836 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS C 49 -2.772 -20.748 -6.935 1.00 0.00 H new ATOM 0 HB3 LYS C 49 -3.821 -19.389 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS C 49 -2.059 -18.433 -8.812 1.00 0.00 H new ATOM 0 HG3 LYS C 49 -1.018 -19.798 -8.460 1.00 0.00 H new ATOM 0 HD2 LYS C 49 -2.759 -21.363 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS C 49 -3.806 -20.001 -9.710 1.00 0.00 H new ATOM 0 HE2 LYS C 49 -2.046 -19.039 -11.227 1.00 0.00 H new ATOM 0 HE3 LYS C 49 -1.008 -20.409 -10.887 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 -2.255 -20.742 -12.936 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 -2.721 -21.894 -11.778 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 -3.727 -20.566 -12.108 1.00 0.00 H new TER 1530 LYS C 49 ATOM 1531 N SER D 19 2.523 27.744 6.912 1.00 0.00 N ATOM 1532 CA SER D 19 3.660 26.854 6.541 1.00 0.00 C ATOM 1533 C SER D 19 3.565 25.556 7.335 1.00 0.00 C ATOM 1534 O SER D 19 4.031 24.509 6.890 1.00 0.00 O ATOM 1535 CB SER D 19 4.978 27.560 6.849 1.00 0.00 C ATOM 1536 OG SER D 19 6.045 26.624 6.761 1.00 0.00 O ATOM 0 HA SER D 19 3.618 26.626 5.476 1.00 0.00 H new ATOM 0 HB2 SER D 19 5.138 28.378 6.147 1.00 0.00 H new ATOM 0 HB3 SER D 19 4.945 27.998 7.847 1.00 0.00 H new ATOM 0 HG SER D 19 6.893 27.075 6.957 1.00 0.00 H new ATOM 1544 N ASN D 20 2.959 25.631 8.514 1.00 0.00 N ATOM 1545 CA ASN D 20 2.808 24.454 9.360 1.00 0.00 C ATOM 1546 C ASN D 20 1.920 23.417 8.677 1.00 0.00 C ATOM 1547 O ASN D 20 2.175 22.215 8.756 1.00 0.00 O ATOM 1548 CB ASN D 20 2.198 24.850 10.706 1.00 0.00 C ATOM 1549 CG ASN D 20 2.031 23.614 11.585 1.00 0.00 C ATOM 1550 OD1 ASN D 20 2.309 22.498 11.147 1.00 0.00 O ATOM 1551 ND2 ASN D 20 1.592 23.747 12.805 1.00 0.00 N ATOM 0 H ASN D 20 2.567 26.488 8.904 1.00 0.00 H new ATOM 0 HA ASN D 20 3.793 24.019 9.526 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.838 25.578 11.205 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.231 25.329 10.550 1.00 0.00 H new ATOM 0 HD21 ASN D 20 1.478 22.925 13.399 1.00 0.00 H new ATOM 0 HD22 ASN D 20 1.362 24.673 13.166 1.00 0.00 H new ATOM 1558 N ASP D 21 0.871 23.893 8.014 1.00 0.00 N ATOM 1559 CA ASP D 21 -0.062 23.007 7.327 1.00 0.00 C ATOM 1560 C ASP D 21 0.566 22.442 6.054 1.00 0.00 C ATOM 1561 O ASP D 21 -0.032 21.608 5.376 1.00 0.00 O ATOM 1562 CB ASP D 21 -1.339 23.771 6.966 1.00 0.00 C ATOM 1563 CG ASP D 21 -2.108 24.135 8.232 1.00 0.00 C ATOM 1564 OD1 ASP D 21 -1.771 23.606 9.280 1.00 0.00 O ATOM 1565 OD2 ASP D 21 -3.021 24.936 8.136 1.00 0.00 O ATOM 0 H ASP D 21 0.646 24.885 7.938 1.00 0.00 H new ATOM 0 HA ASP D 21 -0.305 22.182 7.997 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.087 24.675 6.412 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -1.965 23.162 6.314 1.00 0.00 H new ATOM 1570 N SER D 22 1.767 22.909 5.729 1.00 0.00 N ATOM 1571 CA SER D 22 2.455 22.446 4.527 1.00 0.00 C ATOM 1572 C SER D 22 2.689 20.940 4.595 1.00 0.00 C ATOM 1573 O SER D 22 2.482 20.225 3.612 1.00 0.00 O ATOM 1574 CB SER D 22 3.798 23.162 4.383 1.00 0.00 C ATOM 1575 OG SER D 22 4.423 22.753 3.177 1.00 0.00 O ATOM 0 H SER D 22 2.281 23.601 6.274 1.00 0.00 H new ATOM 0 HA SER D 22 1.829 22.671 3.664 1.00 0.00 H new ATOM 0 HB2 SER D 22 3.649 24.242 4.380 1.00 0.00 H new ATOM 0 HB3 SER D 22 4.439 22.931 5.234 1.00 0.00 H new ATOM 0 HG SER D 22 5.284 23.212 3.082 1.00 0.00 H new ATOM 1581 N SER D 23 3.118 20.461 5.763 1.00 0.00 N ATOM 1582 CA SER D 23 3.378 19.034 5.967 1.00 0.00 C ATOM 1583 C SER D 23 2.483 18.490 7.078 1.00 0.00 C ATOM 1584 O SER D 23 2.774 18.664 8.262 1.00 0.00 O ATOM 1585 CB SER D 23 4.842 18.825 6.348 1.00 0.00 C ATOM 1586 OG SER D 23 5.081 17.439 6.550 1.00 0.00 O ATOM 0 H SER D 23 3.293 21.041 6.584 1.00 0.00 H new ATOM 0 HA SER D 23 3.162 18.502 5.040 1.00 0.00 H new ATOM 0 HB2 SER D 23 5.493 19.207 5.561 1.00 0.00 H new ATOM 0 HB3 SER D 23 5.077 19.382 7.255 1.00 0.00 H new ATOM 0 HG SER D 23 6.020 17.301 6.793 1.00 0.00 H new ATOM 1592 N ASP D 24 1.394 17.835 6.692 1.00 0.00 N ATOM 1593 CA ASP D 24 0.459 17.275 7.669 1.00 0.00 C ATOM 1594 C ASP D 24 0.971 15.920 8.181 1.00 0.00 C ATOM 1595 O ASP D 24 1.690 15.219 7.473 1.00 0.00 O ATOM 1596 CB ASP D 24 -0.928 17.109 7.022 1.00 0.00 C ATOM 1597 CG ASP D 24 -0.773 16.764 5.545 1.00 0.00 C ATOM 1598 OD1 ASP D 24 0.212 16.129 5.206 1.00 0.00 O ATOM 1599 OD2 ASP D 24 -1.638 17.145 4.773 1.00 0.00 O ATOM 0 H ASP D 24 1.135 17.678 5.718 1.00 0.00 H new ATOM 0 HA ASP D 24 0.379 17.957 8.516 1.00 0.00 H new ATOM 0 HB2 ASP D 24 -1.485 16.323 7.532 1.00 0.00 H new ATOM 0 HB3 ASP D 24 -1.502 18.029 7.131 1.00 0.00 H new ATOM 1604 N PRO D 25 0.615 15.543 9.389 1.00 0.00 N ATOM 1605 CA PRO D 25 1.056 14.244 9.988 1.00 0.00 C ATOM 1606 C PRO D 25 0.446 13.043 9.262 1.00 0.00 C ATOM 1607 O PRO D 25 0.930 11.918 9.385 1.00 0.00 O ATOM 1608 CB PRO D 25 0.566 14.327 11.446 1.00 0.00 C ATOM 1609 CG PRO D 25 -0.577 15.290 11.415 1.00 0.00 C ATOM 1610 CD PRO D 25 -0.245 16.303 10.318 1.00 0.00 C ATOM 0 HA PRO D 25 2.133 14.098 9.911 1.00 0.00 H new ATOM 0 HB2 PRO D 25 0.250 13.350 11.812 1.00 0.00 H new ATOM 0 HB3 PRO D 25 1.358 14.675 12.109 1.00 0.00 H new ATOM 0 HG2 PRO D 25 -1.514 14.776 11.201 1.00 0.00 H new ATOM 0 HG3 PRO D 25 -0.697 15.784 12.379 1.00 0.00 H new ATOM 0 HD2 PRO D 25 -1.145 16.667 9.823 1.00 0.00 H new ATOM 0 HD3 PRO D 25 0.272 17.174 10.720 1.00 0.00 H new ATOM 1618 N LEU D 26 -0.624 13.293 8.514 1.00 0.00 N ATOM 1619 CA LEU D 26 -1.298 12.226 7.783 1.00 0.00 C ATOM 1620 C LEU D 26 -0.359 11.603 6.752 1.00 0.00 C ATOM 1621 O LEU D 26 -0.311 10.382 6.603 1.00 0.00 O ATOM 1622 CB LEU D 26 -2.535 12.784 7.074 1.00 0.00 C ATOM 1623 CG LEU D 26 -3.594 13.202 8.107 1.00 0.00 C ATOM 1624 CD1 LEU D 26 -4.700 13.990 7.397 1.00 0.00 C ATOM 1625 CD2 LEU D 26 -4.202 11.962 8.795 1.00 0.00 C ATOM 0 H LEU D 26 -1.040 14.217 8.398 1.00 0.00 H new ATOM 0 HA LEU D 26 -1.599 11.457 8.495 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -2.256 13.641 6.461 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -2.949 12.032 6.402 1.00 0.00 H new ATOM 0 HG LEU D 26 -3.122 13.822 8.869 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.456 14.291 8.123 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.272 14.877 6.930 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.160 13.364 6.633 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -4.949 12.279 9.522 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -4.672 11.324 8.046 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -3.415 11.405 9.303 1.00 0.00 H new ATOM 1637 N VAL D 27 0.386 12.449 6.047 1.00 0.00 N ATOM 1638 CA VAL D 27 1.323 11.967 5.036 1.00 0.00 C ATOM 1639 C VAL D 27 2.434 11.146 5.689 1.00 0.00 C ATOM 1640 O VAL D 27 2.799 10.078 5.200 1.00 0.00 O ATOM 1641 CB VAL D 27 1.930 13.149 4.274 1.00 0.00 C ATOM 1642 CG1 VAL D 27 3.004 12.644 3.306 1.00 0.00 C ATOM 1643 CG2 VAL D 27 0.830 13.863 3.485 1.00 0.00 C ATOM 0 H VAL D 27 0.361 13.463 6.155 1.00 0.00 H new ATOM 0 HA VAL D 27 0.781 11.332 4.336 1.00 0.00 H new ATOM 0 HB VAL D 27 2.382 13.842 4.984 1.00 0.00 H new ATOM 0 HG11 VAL D 27 3.433 13.488 2.766 1.00 0.00 H new ATOM 0 HG12 VAL D 27 3.788 12.135 3.866 1.00 0.00 H new ATOM 0 HG13 VAL D 27 2.556 11.949 2.596 1.00 0.00 H new ATOM 0 HG21 VAL D 27 1.260 14.705 2.942 1.00 0.00 H new ATOM 0 HG22 VAL D 27 0.379 13.167 2.778 1.00 0.00 H new ATOM 0 HG23 VAL D 27 0.067 14.227 4.173 1.00 0.00 H new ATOM 1653 N VAL D 28 2.965 11.659 6.793 1.00 0.00 N ATOM 1654 CA VAL D 28 4.035 10.973 7.509 1.00 0.00 C ATOM 1655 C VAL D 28 3.546 9.631 8.045 1.00 0.00 C ATOM 1656 O VAL D 28 4.240 8.620 7.935 1.00 0.00 O ATOM 1657 CB VAL D 28 4.527 11.840 8.671 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.563 11.066 9.489 1.00 0.00 C ATOM 1659 CG2 VAL D 28 5.166 13.116 8.118 1.00 0.00 C ATOM 0 H VAL D 28 2.674 12.543 7.210 1.00 0.00 H new ATOM 0 HA VAL D 28 4.856 10.797 6.814 1.00 0.00 H new ATOM 0 HB VAL D 28 3.683 12.100 9.310 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.911 11.686 10.315 1.00 0.00 H new ATOM 0 HG12 VAL D 28 5.110 10.157 9.884 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.407 10.803 8.852 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.517 13.735 8.944 1.00 0.00 H new ATOM 0 HG22 VAL D 28 6.008 12.853 7.478 1.00 0.00 H new ATOM 0 HG23 VAL D 28 4.428 13.670 7.538 1.00 0.00 H new ATOM 1669 N ALA D 29 2.352 9.630 8.628 1.00 0.00 N ATOM 1670 CA ALA D 29 1.787 8.403 9.180 1.00 0.00 C ATOM 1671 C ALA D 29 1.599 7.360 8.085 1.00 0.00 C ATOM 1672 O ALA D 29 1.839 6.173 8.300 1.00 0.00 O ATOM 1673 CB ALA D 29 0.436 8.696 9.837 1.00 0.00 C ATOM 0 H ALA D 29 1.762 10.455 8.730 1.00 0.00 H new ATOM 0 HA ALA D 29 2.479 8.014 9.927 1.00 0.00 H new ATOM 0 HB1 ALA D 29 0.023 7.774 10.246 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.571 9.420 10.640 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.250 9.103 9.094 1.00 0.00 H new ATOM 1679 N ALA D 30 1.168 7.805 6.914 1.00 0.00 N ATOM 1680 CA ALA D 30 0.949 6.891 5.800 1.00 0.00 C ATOM 1681 C ALA D 30 2.255 6.222 5.385 1.00 0.00 C ATOM 1682 O ALA D 30 2.283 5.028 5.086 1.00 0.00 O ATOM 1683 CB ALA D 30 0.360 7.652 4.612 1.00 0.00 C ATOM 0 H ALA D 30 0.964 8.783 6.710 1.00 0.00 H new ATOM 0 HA ALA D 30 0.250 6.119 6.121 1.00 0.00 H new ATOM 0 HB1 ALA D 30 0.199 6.963 3.783 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.590 8.100 4.902 1.00 0.00 H new ATOM 0 HB3 ALA D 30 1.051 8.436 4.303 1.00 0.00 H new ATOM 1689 N ASN D 31 3.336 6.996 5.367 1.00 0.00 N ATOM 1690 CA ASN D 31 4.636 6.458 4.984 1.00 0.00 C ATOM 1691 C ASN D 31 5.093 5.400 5.986 1.00 0.00 C ATOM 1692 O ASN D 31 5.584 4.338 5.599 1.00 0.00 O ATOM 1693 CB ASN D 31 5.667 7.588 4.928 1.00 0.00 C ATOM 1694 CG ASN D 31 5.351 8.542 3.779 1.00 0.00 C ATOM 1695 OD1 ASN D 31 4.502 8.187 2.854 1.00 0.00 O flip ATOM 1696 ND2 ASN D 31 5.888 9.650 3.728 1.00 0.00 N flip ATOM 0 H ASN D 31 3.338 7.987 5.610 1.00 0.00 H new ATOM 0 HA ASN D 31 4.545 5.996 4.001 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.669 8.134 5.872 1.00 0.00 H new ATOM 0 HB3 ASN D 31 6.666 7.171 4.798 1.00 0.00 H new ATOM 0 HD21 ASN D 31 6.552 9.929 4.450 1.00 0.00 H new ATOM 0 HD22 ASN D 31 5.669 10.288 2.963 1.00 0.00 H new ATOM 1703 N ILE D 32 4.925 5.697 7.270 1.00 0.00 N ATOM 1704 CA ILE D 32 5.318 4.765 8.323 1.00 0.00 C ATOM 1705 C ILE D 32 4.453 3.510 8.274 1.00 0.00 C ATOM 1706 O ILE D 32 4.949 2.391 8.415 1.00 0.00 O ATOM 1707 CB ILE D 32 5.186 5.436 9.695 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.226 6.555 9.812 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.425 4.404 10.803 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.919 7.411 11.040 1.00 0.00 C ATOM 0 H ILE D 32 4.521 6.571 7.607 1.00 0.00 H new ATOM 0 HA ILE D 32 6.358 4.480 8.163 1.00 0.00 H new ATOM 0 HB ILE D 32 4.183 5.850 9.799 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.226 6.129 9.893 1.00 0.00 H new ATOM 0 HG13 ILE D 32 6.214 7.172 8.914 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.330 4.886 11.776 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.689 3.605 10.721 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.427 3.986 10.701 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.659 8.207 11.123 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.926 7.848 10.940 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.953 6.789 11.935 1.00 0.00 H new ATOM 1722 N ILE D 33 3.154 3.707 8.082 1.00 0.00 N ATOM 1723 CA ILE D 33 2.219 2.590 8.026 1.00 0.00 C ATOM 1724 C ILE D 33 2.550 1.674 6.847 1.00 0.00 C ATOM 1725 O ILE D 33 2.539 0.451 6.980 1.00 0.00 O ATOM 1726 CB ILE D 33 0.784 3.127 7.887 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.356 3.858 9.185 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.176 1.964 7.599 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.204 2.872 10.219 1.00 0.00 C ATOM 0 H ILE D 33 2.726 4.625 7.963 1.00 0.00 H new ATOM 0 HA ILE D 33 2.303 2.012 8.947 1.00 0.00 H new ATOM 0 HB ILE D 33 0.749 3.836 7.060 1.00 0.00 H new ATOM 0 HG12 ILE D 33 1.211 4.385 9.607 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -0.398 4.610 8.950 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.192 2.347 7.501 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.117 1.471 6.672 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.136 1.247 8.419 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -0.496 3.414 11.118 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -1.074 2.364 9.803 1.00 0.00 H new ATOM 0 HD13 ILE D 33 0.560 2.136 10.471 1.00 0.00 H new ATOM 1741 N GLY D 34 2.840 2.269 5.691 1.00 0.00 N ATOM 1742 CA GLY D 34 3.167 1.482 4.503 1.00 0.00 C ATOM 1743 C GLY D 34 4.409 0.626 4.740 1.00 0.00 C ATOM 1744 O GLY D 34 4.423 -0.563 4.424 1.00 0.00 O ATOM 0 H GLY D 34 2.855 3.279 5.552 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.324 0.842 4.243 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.335 2.147 3.656 1.00 0.00 H new ATOM 1748 N ILE D 35 5.447 1.236 5.307 1.00 0.00 N ATOM 1749 CA ILE D 35 6.684 0.520 5.591 1.00 0.00 C ATOM 1750 C ILE D 35 6.441 -0.570 6.636 1.00 0.00 C ATOM 1751 O ILE D 35 6.936 -1.689 6.507 1.00 0.00 O ATOM 1752 CB ILE D 35 7.755 1.497 6.089 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.149 2.441 4.950 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.989 0.716 6.548 1.00 0.00 C ATOM 1755 CD1 ILE D 35 9.008 3.583 5.501 1.00 0.00 C ATOM 0 H ILE D 35 5.455 2.220 5.577 1.00 0.00 H new ATOM 0 HA ILE D 35 7.033 0.050 4.672 1.00 0.00 H new ATOM 0 HB ILE D 35 7.359 2.074 6.925 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.701 1.894 4.186 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.256 2.843 4.472 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.749 1.412 6.902 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.712 0.040 7.357 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.386 0.139 5.713 1.00 0.00 H new ATOM 0 HD11 ILE D 35 9.287 4.253 4.688 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.441 4.137 6.249 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.908 3.173 5.958 1.00 0.00 H new ATOM 1767 N LEU D 36 5.673 -0.230 7.669 1.00 0.00 N ATOM 1768 CA LEU D 36 5.371 -1.186 8.733 1.00 0.00 C ATOM 1769 C LEU D 36 4.650 -2.403 8.157 1.00 0.00 C ATOM 1770 O LEU D 36 4.882 -3.536 8.571 1.00 0.00 O ATOM 1771 CB LEU D 36 4.493 -0.524 9.810 1.00 0.00 C ATOM 1772 CG LEU D 36 4.589 -1.312 11.137 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.782 -0.813 11.963 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.307 -1.114 11.954 1.00 0.00 C ATOM 0 H LEU D 36 5.252 0.691 7.792 1.00 0.00 H new ATOM 0 HA LEU D 36 6.308 -1.508 9.187 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.812 0.506 9.967 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.457 -0.489 9.474 1.00 0.00 H new ATOM 0 HG LEU D 36 4.721 -2.368 10.903 1.00 0.00 H new ATOM 0 HD11 LEU D 36 5.840 -1.375 12.895 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.702 -0.955 11.396 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.653 0.246 12.185 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.381 -1.672 12.888 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.175 -0.054 12.174 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.452 -1.475 11.382 1.00 0.00 H new ATOM 1786 N HIS D 37 3.771 -2.161 7.198 1.00 0.00 N ATOM 1787 CA HIS D 37 3.036 -3.247 6.569 1.00 0.00 C ATOM 1788 C HIS D 37 3.978 -4.155 5.787 1.00 0.00 C ATOM 1789 O HIS D 37 3.842 -5.376 5.820 1.00 0.00 O ATOM 1790 CB HIS D 37 1.985 -2.686 5.614 1.00 0.00 C ATOM 1791 CG HIS D 37 1.211 -3.821 5.007 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.149 -3.979 5.203 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.597 -4.868 4.207 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.527 -5.084 4.533 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.498 -5.662 3.910 1.00 0.00 N ATOM 0 H HIS D 37 3.550 -1.232 6.840 1.00 0.00 H new ATOM 0 HA HIS D 37 2.551 -3.825 7.356 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.312 -2.016 6.149 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.465 -2.098 4.832 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.604 -5.047 3.861 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.540 -5.457 4.504 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.480 -6.506 3.338 1.00 0.00 H new ATOM 1803 N LEU D 38 4.909 -3.550 5.058 1.00 0.00 N ATOM 1804 CA LEU D 38 5.840 -4.315 4.228 1.00 0.00 C ATOM 1805 C LEU D 38 6.672 -5.293 5.060 1.00 0.00 C ATOM 1806 O LEU D 38 6.803 -6.458 4.693 1.00 0.00 O ATOM 1807 CB LEU D 38 6.767 -3.335 3.473 1.00 0.00 C ATOM 1808 CG LEU D 38 6.327 -3.196 2.005 1.00 0.00 C ATOM 1809 CD1 LEU D 38 6.934 -1.928 1.413 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.800 -4.413 1.194 1.00 0.00 C ATOM 0 H LEU D 38 5.041 -2.539 5.023 1.00 0.00 H new ATOM 0 HA LEU D 38 5.261 -4.905 3.518 1.00 0.00 H new ATOM 0 HB2 LEU D 38 6.746 -2.359 3.958 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.796 -3.692 3.518 1.00 0.00 H new ATOM 0 HG LEU D 38 5.239 -3.140 1.963 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.624 -1.827 0.373 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.591 -1.062 1.979 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.021 -1.987 1.463 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.483 -4.304 0.157 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.887 -4.478 1.237 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.365 -5.321 1.613 1.00 0.00 H new ATOM 1822 N ILE D 39 7.232 -4.824 6.165 1.00 0.00 N ATOM 1823 CA ILE D 39 8.043 -5.692 7.008 1.00 0.00 C ATOM 1824 C ILE D 39 7.204 -6.860 7.525 1.00 0.00 C ATOM 1825 O ILE D 39 7.665 -8.000 7.567 1.00 0.00 O ATOM 1826 CB ILE D 39 8.638 -4.884 8.169 1.00 0.00 C ATOM 1827 CG1 ILE D 39 7.528 -4.092 8.855 1.00 0.00 C ATOM 1828 CG2 ILE D 39 9.685 -3.910 7.625 1.00 0.00 C ATOM 1829 CD1 ILE D 39 8.088 -3.327 10.054 1.00 0.00 C ATOM 0 H ILE D 39 7.143 -3.863 6.496 1.00 0.00 H new ATOM 0 HA ILE D 39 8.863 -6.101 6.418 1.00 0.00 H new ATOM 0 HB ILE D 39 9.103 -5.563 8.884 1.00 0.00 H new ATOM 0 HG12 ILE D 39 7.078 -3.395 8.148 1.00 0.00 H new ATOM 0 HG13 ILE D 39 6.738 -4.768 9.182 1.00 0.00 H new ATOM 0 HG21 ILE D 39 10.109 -3.335 8.448 1.00 0.00 H new ATOM 0 HG22 ILE D 39 10.477 -4.469 7.126 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.216 -3.232 6.912 1.00 0.00 H new ATOM 0 HD11 ILE D 39 7.286 -2.766 10.534 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.516 -4.031 10.767 1.00 0.00 H new ATOM 0 HD13 ILE D 39 8.861 -2.637 9.716 1.00 0.00 H new ATOM 1841 N LEU D 40 5.966 -6.574 7.915 1.00 0.00 N ATOM 1842 CA LEU D 40 5.076 -7.614 8.415 1.00 0.00 C ATOM 1843 C LEU D 40 4.626 -8.555 7.288 1.00 0.00 C ATOM 1844 O LEU D 40 4.612 -9.774 7.458 1.00 0.00 O ATOM 1845 CB LEU D 40 3.856 -6.961 9.080 1.00 0.00 C ATOM 1846 CG LEU D 40 4.231 -6.450 10.489 1.00 0.00 C ATOM 1847 CD1 LEU D 40 3.270 -5.336 10.912 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.138 -7.592 11.513 1.00 0.00 C ATOM 0 H LEU D 40 5.559 -5.639 7.895 1.00 0.00 H new ATOM 0 HA LEU D 40 5.618 -8.212 9.147 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.498 -6.133 8.468 1.00 0.00 H new ATOM 0 HB3 LEU D 40 3.041 -7.682 9.151 1.00 0.00 H new ATOM 0 HG LEU D 40 5.252 -6.070 10.455 1.00 0.00 H new ATOM 0 HD11 LEU D 40 3.540 -4.980 11.906 1.00 0.00 H new ATOM 0 HD12 LEU D 40 3.334 -4.511 10.202 1.00 0.00 H new ATOM 0 HD13 LEU D 40 2.251 -5.722 10.929 1.00 0.00 H new ATOM 0 HD21 LEU D 40 4.405 -7.217 12.501 1.00 0.00 H new ATOM 0 HD22 LEU D 40 3.119 -7.979 11.535 1.00 0.00 H new ATOM 0 HD23 LEU D 40 4.824 -8.391 11.230 1.00 0.00 H new ATOM 1860 N TRP D 41 4.256 -7.981 6.141 1.00 0.00 N ATOM 1861 CA TRP D 41 3.805 -8.779 5.000 1.00 0.00 C ATOM 1862 C TRP D 41 4.948 -9.619 4.425 1.00 0.00 C ATOM 1863 O TRP D 41 4.788 -10.817 4.192 1.00 0.00 O ATOM 1864 CB TRP D 41 3.222 -7.854 3.917 1.00 0.00 C ATOM 1865 CG TRP D 41 3.028 -8.603 2.633 1.00 0.00 C ATOM 1866 CD1 TRP D 41 1.945 -9.350 2.315 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.917 -8.661 1.483 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.126 -9.879 1.048 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.325 -9.477 0.494 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.171 -8.089 1.207 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.957 -9.717 -0.723 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.801 -8.325 -0.024 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.196 -9.135 -0.983 1.00 0.00 C ATOM 0 H TRP D 41 4.260 -6.974 5.979 1.00 0.00 H new ATOM 0 HA TRP D 41 3.030 -9.464 5.344 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.269 -7.446 4.254 1.00 0.00 H new ATOM 0 HB3 TRP D 41 3.891 -7.009 3.754 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.082 -9.507 2.945 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.456 -10.490 0.582 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.652 -7.465 1.946 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.489 -10.351 -1.462 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.761 -7.876 -0.230 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.688 -9.312 -1.928 1.00 0.00 H new ATOM 1884 N ILE D 42 6.093 -8.987 4.189 1.00 0.00 N ATOM 1885 CA ILE D 42 7.237 -9.700 3.633 1.00 0.00 C ATOM 1886 C ILE D 42 7.730 -10.755 4.620 1.00 0.00 C ATOM 1887 O ILE D 42 8.063 -11.875 4.235 1.00 0.00 O ATOM 1888 CB ILE D 42 8.367 -8.709 3.306 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.405 -9.385 2.402 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.052 -8.243 4.597 1.00 0.00 C ATOM 1891 CD1 ILE D 42 10.391 -8.333 1.890 1.00 0.00 C ATOM 0 H ILE D 42 6.253 -7.996 4.371 1.00 0.00 H new ATOM 0 HA ILE D 42 6.929 -10.198 2.714 1.00 0.00 H new ATOM 0 HB ILE D 42 7.938 -7.848 2.794 1.00 0.00 H new ATOM 0 HG12 ILE D 42 9.936 -10.160 2.955 1.00 0.00 H new ATOM 0 HG13 ILE D 42 8.910 -9.875 1.563 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.850 -7.542 4.353 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.321 -7.752 5.240 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.472 -9.104 5.117 1.00 0.00 H new ATOM 0 HD11 ILE D 42 11.131 -8.810 1.247 1.00 0.00 H new ATOM 0 HD12 ILE D 42 9.852 -7.575 1.322 1.00 0.00 H new ATOM 0 HD13 ILE D 42 10.894 -7.864 2.736 1.00 0.00 H new ATOM 1903 N LEU D 43 7.770 -10.394 5.898 1.00 0.00 N ATOM 1904 CA LEU D 43 8.216 -11.321 6.929 1.00 0.00 C ATOM 1905 C LEU D 43 7.272 -12.515 7.023 1.00 0.00 C ATOM 1906 O LEU D 43 7.710 -13.655 7.169 1.00 0.00 O ATOM 1907 CB LEU D 43 8.292 -10.601 8.284 1.00 0.00 C ATOM 1908 CG LEU D 43 8.685 -11.585 9.395 1.00 0.00 C ATOM 1909 CD1 LEU D 43 10.008 -12.283 9.046 1.00 0.00 C ATOM 1910 CD2 LEU D 43 8.849 -10.814 10.708 1.00 0.00 C ATOM 0 H LEU D 43 7.501 -9.472 6.242 1.00 0.00 H new ATOM 0 HA LEU D 43 9.208 -11.686 6.662 1.00 0.00 H new ATOM 0 HB2 LEU D 43 9.021 -9.792 8.232 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.328 -10.148 8.516 1.00 0.00 H new ATOM 0 HG LEU D 43 7.905 -12.340 9.497 1.00 0.00 H new ATOM 0 HD11 LEU D 43 10.274 -12.978 9.843 1.00 0.00 H new ATOM 0 HD12 LEU D 43 9.895 -12.830 8.110 1.00 0.00 H new ATOM 0 HD13 LEU D 43 10.795 -11.537 8.937 1.00 0.00 H new ATOM 0 HD21 LEU D 43 9.128 -11.505 11.503 1.00 0.00 H new ATOM 0 HD22 LEU D 43 9.628 -10.060 10.592 1.00 0.00 H new ATOM 0 HD23 LEU D 43 7.908 -10.327 10.964 1.00 0.00 H new ATOM 1922 N ASP D 44 5.973 -12.243 6.939 1.00 0.00 N ATOM 1923 CA ASP D 44 4.968 -13.300 7.022 1.00 0.00 C ATOM 1924 C ASP D 44 5.127 -14.286 5.872 1.00 0.00 C ATOM 1925 O ASP D 44 4.834 -15.473 6.016 1.00 0.00 O ATOM 1926 CB ASP D 44 3.565 -12.692 6.987 1.00 0.00 C ATOM 1927 CG ASP D 44 3.273 -11.974 8.301 1.00 0.00 C ATOM 1928 OD1 ASP D 44 4.012 -12.187 9.249 1.00 0.00 O ATOM 1929 OD2 ASP D 44 2.315 -11.219 8.341 1.00 0.00 O ATOM 0 H ASP D 44 5.592 -11.305 6.814 1.00 0.00 H new ATOM 0 HA ASP D 44 5.109 -13.833 7.962 1.00 0.00 H new ATOM 0 HB2 ASP D 44 3.484 -11.992 6.155 1.00 0.00 H new ATOM 0 HB3 ASP D 44 2.825 -13.474 6.819 1.00 0.00 H new ATOM 1934 N ARG D 45 5.596 -13.792 4.732 1.00 0.00 N ATOM 1935 CA ARG D 45 5.791 -14.644 3.564 1.00 0.00 C ATOM 1936 C ARG D 45 6.720 -15.808 3.901 1.00 0.00 C ATOM 1937 O ARG D 45 6.522 -16.925 3.425 1.00 0.00 O ATOM 1938 CB ARG D 45 6.386 -13.831 2.414 1.00 0.00 C ATOM 1939 CG ARG D 45 6.503 -14.710 1.167 1.00 0.00 C ATOM 1940 CD ARG D 45 7.024 -13.871 0.001 1.00 0.00 C ATOM 1941 NE ARG D 45 7.188 -14.708 -1.182 1.00 0.00 N ATOM 1942 CZ ARG D 45 6.147 -15.037 -1.936 1.00 0.00 C ATOM 1943 NH1 ARG D 45 4.954 -14.618 -1.617 1.00 0.00 N ATOM 1944 NH2 ARG D 45 6.317 -15.782 -2.996 1.00 0.00 N ATOM 0 H ARG D 45 5.847 -12.813 4.591 1.00 0.00 H new ATOM 0 HA ARG D 45 4.822 -15.041 3.262 1.00 0.00 H new ATOM 0 HB2 ARG D 45 5.757 -12.966 2.203 1.00 0.00 H new ATOM 0 HB3 ARG D 45 7.368 -13.450 2.695 1.00 0.00 H new ATOM 0 HG2 ARG D 45 7.178 -15.544 1.359 1.00 0.00 H new ATOM 0 HG3 ARG D 45 5.532 -15.137 0.917 1.00 0.00 H new ATOM 0 HD2 ARG D 45 6.329 -13.058 -0.212 1.00 0.00 H new ATOM 0 HD3 ARG D 45 7.977 -13.414 0.268 1.00 0.00 H new ATOM 0 HE ARG D 45 8.117 -15.046 -1.434 1.00 0.00 H new ATOM 0 HH11 ARG D 45 4.822 -14.038 -0.789 1.00 0.00 H new ATOM 0 HH12 ARG D 45 4.153 -14.870 -2.196 1.00 0.00 H new ATOM 0 HH21 ARG D 45 7.250 -16.111 -3.244 1.00 0.00 H new ATOM 0 HH22 ARG D 45 5.517 -16.035 -3.575 1.00 0.00 H new ATOM 1958 N LEU D 46 7.735 -15.540 4.713 1.00 0.00 N ATOM 1959 CA LEU D 46 8.688 -16.577 5.089 1.00 0.00 C ATOM 1960 C LEU D 46 7.977 -17.708 5.834 1.00 0.00 C ATOM 1961 O LEU D 46 8.235 -18.886 5.582 1.00 0.00 O ATOM 1962 CB LEU D 46 9.779 -15.977 5.990 1.00 0.00 C ATOM 1963 CG LEU D 46 10.805 -15.225 5.138 1.00 0.00 C ATOM 1964 CD1 LEU D 46 10.127 -14.044 4.441 1.00 0.00 C ATOM 1965 CD2 LEU D 46 11.928 -14.707 6.042 1.00 0.00 C ATOM 0 H LEU D 46 7.919 -14.623 5.120 1.00 0.00 H new ATOM 0 HA LEU D 46 9.142 -16.979 4.183 1.00 0.00 H new ATOM 0 HB2 LEU D 46 9.331 -15.299 6.717 1.00 0.00 H new ATOM 0 HB3 LEU D 46 10.272 -16.768 6.554 1.00 0.00 H new ATOM 0 HG LEU D 46 11.218 -15.898 4.387 1.00 0.00 H new ATOM 0 HD11 LEU D 46 10.859 -13.510 3.835 1.00 0.00 H new ATOM 0 HD12 LEU D 46 9.325 -14.411 3.801 1.00 0.00 H new ATOM 0 HD13 LEU D 46 9.714 -13.368 5.190 1.00 0.00 H new ATOM 0 HD21 LEU D 46 12.661 -14.171 5.440 1.00 0.00 H new ATOM 0 HD22 LEU D 46 11.511 -14.034 6.791 1.00 0.00 H new ATOM 0 HD23 LEU D 46 12.412 -15.548 6.539 1.00 0.00 H new ATOM 1977 N PHE D 47 7.083 -17.344 6.750 1.00 0.00 N ATOM 1978 CA PHE D 47 6.343 -18.341 7.518 1.00 0.00 C ATOM 1979 C PHE D 47 5.466 -19.185 6.598 1.00 0.00 C ATOM 1980 O PHE D 47 5.437 -20.412 6.710 1.00 0.00 O ATOM 1981 CB PHE D 47 5.473 -17.646 8.570 1.00 0.00 C ATOM 1982 CG PHE D 47 6.354 -17.106 9.672 1.00 0.00 C ATOM 1983 CD1 PHE D 47 6.995 -15.872 9.515 1.00 0.00 C ATOM 1984 CD2 PHE D 47 6.532 -17.841 10.850 1.00 0.00 C ATOM 1985 CE1 PHE D 47 7.815 -15.376 10.533 1.00 0.00 C ATOM 1986 CE2 PHE D 47 7.350 -17.343 11.870 1.00 0.00 C ATOM 1987 CZ PHE D 47 7.993 -16.110 11.712 1.00 0.00 C ATOM 0 H PHE D 47 6.855 -16.376 6.977 1.00 0.00 H new ATOM 0 HA PHE D 47 7.058 -18.997 8.015 1.00 0.00 H new ATOM 0 HB2 PHE D 47 4.907 -16.835 8.112 1.00 0.00 H new ATOM 0 HB3 PHE D 47 4.748 -18.349 8.980 1.00 0.00 H new ATOM 0 HD1 PHE D 47 6.856 -15.303 8.608 1.00 0.00 H new ATOM 0 HD2 PHE D 47 6.037 -18.793 10.972 1.00 0.00 H new ATOM 0 HE1 PHE D 47 8.312 -14.425 10.410 1.00 0.00 H new ATOM 0 HE2 PHE D 47 7.485 -17.910 12.779 1.00 0.00 H new ATOM 0 HZ PHE D 47 8.626 -15.725 12.498 1.00 0.00 H new ATOM 1997 N PHE D 48 4.753 -18.519 5.690 1.00 0.00 N ATOM 1998 CA PHE D 48 3.874 -19.211 4.743 1.00 0.00 C ATOM 1999 C PHE D 48 4.161 -18.758 3.317 1.00 0.00 C ATOM 2000 O PHE D 48 4.279 -17.562 3.046 1.00 0.00 O ATOM 2001 CB PHE D 48 2.414 -18.915 5.090 1.00 0.00 C ATOM 2002 CG PHE D 48 2.050 -19.627 6.371 1.00 0.00 C ATOM 2003 CD1 PHE D 48 1.542 -20.931 6.329 1.00 0.00 C ATOM 2004 CD2 PHE D 48 2.225 -18.985 7.603 1.00 0.00 C ATOM 2005 CE1 PHE D 48 1.209 -21.592 7.516 1.00 0.00 C ATOM 2006 CE2 PHE D 48 1.892 -19.645 8.791 1.00 0.00 C ATOM 2007 CZ PHE D 48 1.384 -20.949 8.747 1.00 0.00 C ATOM 0 H PHE D 48 4.765 -17.504 5.589 1.00 0.00 H new ATOM 0 HA PHE D 48 4.059 -20.283 4.813 1.00 0.00 H new ATOM 0 HB2 PHE D 48 2.266 -17.841 5.203 1.00 0.00 H new ATOM 0 HB3 PHE D 48 1.762 -19.243 4.280 1.00 0.00 H new ATOM 0 HD1 PHE D 48 1.407 -21.427 5.379 1.00 0.00 H new ATOM 0 HD2 PHE D 48 2.617 -17.979 7.636 1.00 0.00 H new ATOM 0 HE1 PHE D 48 0.817 -22.598 7.483 1.00 0.00 H new ATOM 0 HE2 PHE D 48 2.027 -19.149 9.741 1.00 0.00 H new ATOM 0 HZ PHE D 48 1.127 -21.459 9.664 1.00 0.00 H new ATOM 2017 N LYS D 49 4.269 -19.723 2.403 1.00 0.00 N ATOM 2018 CA LYS D 49 4.541 -19.418 0.996 1.00 0.00 C ATOM 2019 C LYS D 49 3.254 -19.473 0.178 1.00 0.00 C ATOM 2020 O LYS D 49 2.423 -18.596 0.358 1.00 0.00 O ATOM 2021 CB LYS D 49 5.543 -20.427 0.432 1.00 0.00 C ATOM 2022 CG LYS D 49 6.903 -20.224 1.101 1.00 0.00 C ATOM 2023 CD LYS D 49 7.910 -21.226 0.530 1.00 0.00 C ATOM 2024 CE LYS D 49 9.272 -21.018 1.197 1.00 0.00 C ATOM 2025 NZ LYS D 49 10.253 -21.986 0.633 1.00 0.00 N ATOM 2026 OXT LYS D 49 3.116 -20.388 -0.614 1.00 0.00 O ATOM 0 H LYS D 49 4.173 -20.717 2.609 1.00 0.00 H new ATOM 0 HA LYS D 49 4.957 -18.412 0.934 1.00 0.00 H new ATOM 0 HB2 LYS D 49 5.189 -21.443 0.605 1.00 0.00 H new ATOM 0 HB3 LYS D 49 5.634 -20.301 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS D 49 7.253 -19.205 0.934 1.00 0.00 H new ATOM 0 HG3 LYS D 49 6.813 -20.357 2.179 1.00 0.00 H new ATOM 0 HD2 LYS D 49 7.562 -22.245 0.700 1.00 0.00 H new ATOM 0 HD3 LYS D 49 7.998 -21.095 -0.549 1.00 0.00 H new ATOM 0 HE2 LYS D 49 9.617 -19.997 1.033 1.00 0.00 H new ATOM 0 HE3 LYS D 49 9.186 -21.157 2.275 1.00 0.00 H new ATOM 0 HZ1 LYS D 49 11.179 -21.846 1.086 1.00 0.00 H new ATOM 0 HZ2 LYS D 49 9.924 -22.957 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS D 49 10.342 -21.833 -0.392 1.00 0.00 H new TER 2040 LYS D 49 HETATM 2041 S 3LW C 100 2.103 8.589 -1.926 1.00 0.00 S HETATM 2042 BR 3LW C 100 2.635 11.059 -3.478 1.00 0.00 BR HETATM 2043 C1 3LW C 100 1.998 10.046 -2.001 1.00 0.00 C HETATM 2044 C2 3LW C 100 1.413 10.574 -0.922 1.00 0.00 C HETATM 2045 N2 3LW C 100 0.684 6.132 -0.938 1.00 0.00 N HETATM 2046 C3 3LW C 100 1.096 9.580 -0.086 1.00 0.00 C HETATM 2047 C5 3LW C 100 1.279 7.055 0.039 1.00 0.00 C HETATM 2048 C10 3LW C 100 0.583 4.689 -0.598 1.00 0.00 C HETATM 2049 C12 3LW C 100 1.468 8.397 -0.610 1.00 0.00 C HETATM 2050 C61 3LW C 100 1.981 4.039 -0.375 1.00 0.00 C HETATM 2051 C62 3LW C 100 -0.106 3.899 -1.745 1.00 0.00 C HETATM 2052 C63 3LW C 100 -0.259 4.438 0.692 1.00 0.00 C HETATM 2053 C71 3LW C 100 1.860 2.535 -0.048 1.00 0.00 C HETATM 2054 C72 3LW C 100 -0.221 2.394 -1.417 1.00 0.00 C HETATM 2055 C73 3LW C 100 -0.367 2.933 1.012 1.00 0.00 C HETATM 2056 C81 3LW C 100 1.176 1.795 -1.208 1.00 0.00 C HETATM 2057 C82 3LW C 100 -1.051 2.194 -0.144 1.00 0.00 C HETATM 2058 C83 3LW C 100 1.034 2.342 1.231 1.00 0.00 C