USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 968 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 47 ASN : amide:sc= 0.41 K(o=-5.5,f=-6.1) USER MOD Set 1.2: C 48 GLN : amide:sc= -5.9! C(o=-5.5!,f=-11!) USER MOD Set 2.1: A 45 HIS :FLIP no HD1:sc= -0.683 F(o=-5.6,f=-4.6) USER MOD Set 2.2: A 48 GLN : amide:sc= -3.93! C(o=-4.6!,f=-5.6!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -9.04! C(o=-9!,f=-13!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.13 K(o=-0.13,f=-4.4!) USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= -0.204 (180deg=-1.13) USER MOD Single : B 23 SER OG : rot 32:sc= 1.11 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -7.52! C(o=-7.5!,f=-12!) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-5.4!) USER MOD Single : B 48 GLN : amide:sc= -4.19! C(o=-4.2!,f=-4.6!) USER MOD Single : B 50 LYS NZ :NH3+ 169:sc= -1.11 (180deg=-1.56) USER MOD Single : C 23 SER OG : rot -53:sc= 0.905 USER MOD Single : C 31 SER OG : rot 150:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -8.26! C(o=-8.3!,f=-11!) USER MOD Single : C 42 THR OG1 : rot 180:sc= 0 USER MOD Single : C 45 HIS : no HD1:sc= -0.0526 X(o=-0.053,f=-0.076) USER MOD Single : C 47 ASN : amide:sc= -2.59! C(o=-2.6!,f=-2.3!) USER MOD Single : C 50 LYS NZ :NH3+ -121:sc= -6.71! (180deg=-11.7!) USER MOD Single : D 23 SER OG : rot 180:sc= -0.0019 USER MOD Single : D 31 SER OG : rot -150:sc= -0.791 USER MOD Single : D 37 HIS : no HD1:sc= -6.73! C(o=-6.7!,f=-10!) USER MOD Single : D 42 THR OG1 : rot -93:sc= 1.28 USER MOD Single : D 45 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-3.2!) USER MOD Single : D 47 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.92) USER MOD Single : D 48 GLN :FLIP amide:sc= -6.48! C(o=-15!,f=-6.5!) USER MOD Single : D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 24 76.303 3.500 3.124 1.00 0.00 N ATOM 12 CA ASP A 24 77.434 4.297 2.677 1.00 0.00 C ATOM 13 C ASP A 24 78.511 3.394 2.090 1.00 0.00 C ATOM 14 O ASP A 24 79.612 3.294 2.627 1.00 0.00 O ATOM 15 CB ASP A 24 78.005 5.132 3.834 1.00 0.00 C ATOM 16 CG ASP A 24 76.875 5.598 4.747 1.00 0.00 C ATOM 17 OD1 ASP A 24 76.192 6.538 4.377 1.00 0.00 O ATOM 18 OD2 ASP A 24 76.712 5.009 5.803 1.00 0.00 O ATOM 0 HA ASP A 24 77.089 4.983 1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 24 78.722 4.539 4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 24 78.545 5.993 3.440 1.00 0.00 H new ATOM 23 N PRO A 25 78.208 2.744 0.997 1.00 0.00 N ATOM 24 CA PRO A 25 79.162 1.842 0.309 1.00 0.00 C ATOM 25 C PRO A 25 80.032 2.622 -0.674 1.00 0.00 C ATOM 26 O PRO A 25 80.514 2.083 -1.669 1.00 0.00 O ATOM 27 CB PRO A 25 78.235 0.873 -0.418 1.00 0.00 C ATOM 28 CG PRO A 25 77.060 1.715 -0.810 1.00 0.00 C ATOM 29 CD PRO A 25 76.914 2.786 0.289 1.00 0.00 C ATOM 0 HA PRO A 25 79.861 1.345 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 25 78.721 0.436 -1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 25 77.936 0.047 0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 25 77.219 2.176 -1.785 1.00 0.00 H new ATOM 0 HG3 PRO A 25 76.156 1.111 -0.887 1.00 0.00 H new ATOM 0 HD2 PRO A 25 76.722 3.771 -0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 25 76.084 2.561 0.959 1.00 0.00 H new ATOM 37 N LEU A 26 80.206 3.882 -0.393 1.00 0.00 N ATOM 38 CA LEU A 26 81.003 4.745 -1.263 1.00 0.00 C ATOM 39 C LEU A 26 82.467 4.307 -1.316 1.00 0.00 C ATOM 40 O LEU A 26 83.091 4.359 -2.376 1.00 0.00 O ATOM 41 CB LEU A 26 80.883 6.228 -0.855 1.00 0.00 C ATOM 42 CG LEU A 26 81.453 6.518 0.534 1.00 0.00 C ATOM 43 CD1 LEU A 26 81.256 8.003 0.845 1.00 0.00 C ATOM 44 CD2 LEU A 26 80.745 5.682 1.606 1.00 0.00 C ATOM 0 H LEU A 26 79.814 4.347 0.426 1.00 0.00 H new ATOM 0 HA LEU A 26 80.595 4.642 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 26 81.402 6.844 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 26 79.833 6.521 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 26 82.512 6.259 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 26 81.658 8.224 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 26 81.777 8.603 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 26 80.193 8.241 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 26 81.170 5.908 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 26 79.681 5.920 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 26 80.879 4.622 1.389 1.00 0.00 H new ATOM 56 N VAL A 27 83.001 3.881 -0.211 1.00 0.00 N ATOM 57 CA VAL A 27 84.388 3.431 -0.171 1.00 0.00 C ATOM 58 C VAL A 27 84.547 2.110 -0.925 1.00 0.00 C ATOM 59 O VAL A 27 85.446 1.962 -1.753 1.00 0.00 O ATOM 60 CB VAL A 27 84.833 3.248 1.284 1.00 0.00 C ATOM 61 CG1 VAL A 27 86.352 3.066 1.334 1.00 0.00 C ATOM 62 CG2 VAL A 27 84.440 4.478 2.117 1.00 0.00 C ATOM 0 H VAL A 27 82.510 3.830 0.682 1.00 0.00 H new ATOM 0 HA VAL A 27 85.011 4.186 -0.651 1.00 0.00 H new ATOM 0 HB VAL A 27 84.342 2.367 1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 27 86.669 2.936 2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 27 86.632 2.186 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 27 86.838 3.947 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 27 84.761 4.336 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 27 84.922 5.365 1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 27 83.358 4.606 2.088 1.00 0.00 H new ATOM 72 N VAL A 28 83.674 1.180 -0.651 1.00 0.00 N ATOM 73 CA VAL A 28 83.717 -0.118 -1.325 1.00 0.00 C ATOM 74 C VAL A 28 83.262 0.006 -2.779 1.00 0.00 C ATOM 75 O VAL A 28 83.714 -0.742 -3.646 1.00 0.00 O ATOM 76 CB VAL A 28 82.834 -1.133 -0.593 1.00 0.00 C ATOM 77 CG1 VAL A 28 81.373 -0.698 -0.681 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.992 -2.509 -1.243 1.00 0.00 C ATOM 0 H VAL A 28 82.921 1.282 0.030 1.00 0.00 H new ATOM 0 HA VAL A 28 84.749 -0.467 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 28 83.136 -1.186 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 28 80.746 -1.421 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 28 81.257 0.282 -0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 28 81.072 -0.644 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 28 82.364 -3.232 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 28 82.691 -2.454 -2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 28 84.034 -2.823 -1.181 1.00 0.00 H new ATOM 88 N ALA A 29 82.371 0.930 -3.030 1.00 0.00 N ATOM 89 CA ALA A 29 81.836 1.146 -4.376 1.00 0.00 C ATOM 90 C ALA A 29 82.933 1.400 -5.399 1.00 0.00 C ATOM 91 O ALA A 29 82.750 1.101 -6.577 1.00 0.00 O ATOM 92 CB ALA A 29 80.865 2.329 -4.375 1.00 0.00 C ATOM 0 H ALA A 29 81.989 1.557 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 29 81.315 0.232 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 29 80.474 2.480 -5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 29 80.041 2.122 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 29 81.388 3.229 -4.051 1.00 0.00 H new ATOM 98 N ALA A 30 84.053 1.934 -4.993 1.00 0.00 N ATOM 99 CA ALA A 30 85.105 2.171 -5.960 1.00 0.00 C ATOM 100 C ALA A 30 85.651 0.831 -6.441 1.00 0.00 C ATOM 101 O ALA A 30 85.736 0.571 -7.641 1.00 0.00 O ATOM 102 CB ALA A 30 86.203 2.998 -5.299 1.00 0.00 C ATOM 0 H ALA A 30 84.263 2.208 -4.033 1.00 0.00 H new ATOM 0 HA ALA A 30 84.720 2.719 -6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 30 87.001 3.183 -6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 30 85.790 3.949 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 30 86.604 2.454 -4.444 1.00 0.00 H new ATOM 108 N SER A 31 85.995 -0.002 -5.500 1.00 0.00 N ATOM 109 CA SER A 31 86.514 -1.329 -5.816 1.00 0.00 C ATOM 110 C SER A 31 85.610 -2.039 -6.821 1.00 0.00 C ATOM 111 O SER A 31 86.088 -2.758 -7.699 1.00 0.00 O ATOM 112 CB SER A 31 86.586 -2.169 -4.543 1.00 0.00 C ATOM 113 OG SER A 31 87.059 -3.470 -4.864 1.00 0.00 O ATOM 0 H SER A 31 85.930 0.202 -4.503 1.00 0.00 H new ATOM 0 HA SER A 31 87.508 -1.212 -6.249 1.00 0.00 H new ATOM 0 HB2 SER A 31 87.250 -1.697 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 31 85.602 -2.232 -4.079 1.00 0.00 H new ATOM 0 HG SER A 31 87.108 -4.011 -4.048 1.00 0.00 H new ATOM 119 N ILE A 32 84.323 -1.871 -6.665 1.00 0.00 N ATOM 120 CA ILE A 32 83.367 -2.540 -7.542 1.00 0.00 C ATOM 121 C ILE A 32 83.757 -2.349 -9.007 1.00 0.00 C ATOM 122 O ILE A 32 83.874 -3.327 -9.746 1.00 0.00 O ATOM 123 CB ILE A 32 81.957 -1.990 -7.267 1.00 0.00 C ATOM 124 CG1 ILE A 32 81.576 -2.345 -5.820 1.00 0.00 C ATOM 125 CG2 ILE A 32 80.932 -2.599 -8.233 1.00 0.00 C ATOM 126 CD1 ILE A 32 80.136 -1.911 -5.513 1.00 0.00 C ATOM 0 H ILE A 32 83.903 -1.282 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 32 83.374 -3.611 -7.338 1.00 0.00 H new ATOM 0 HB ILE A 32 81.956 -0.910 -7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.677 -3.419 -5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 32 82.263 -1.857 -5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 32 79.943 -2.194 -8.017 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.209 -2.355 -9.259 1.00 0.00 H new ATOM 0 HG23 ILE A 32 80.915 -3.682 -8.110 1.00 0.00 H new ATOM 0 HD11 ILE A 32 79.889 -2.172 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 32 80.045 -0.833 -5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 32 79.450 -2.419 -6.191 1.00 0.00 H new ATOM 138 N ILE A 33 83.972 -1.132 -9.424 1.00 0.00 N ATOM 139 CA ILE A 33 84.366 -0.888 -10.809 1.00 0.00 C ATOM 140 C ILE A 33 85.780 -1.421 -11.042 1.00 0.00 C ATOM 141 O ILE A 33 86.111 -1.897 -12.127 1.00 0.00 O ATOM 142 CB ILE A 33 84.315 0.615 -11.128 1.00 0.00 C ATOM 143 CG1 ILE A 33 82.920 1.164 -10.796 1.00 0.00 C ATOM 144 CG2 ILE A 33 84.605 0.832 -12.618 1.00 0.00 C ATOM 145 CD1 ILE A 33 82.872 2.673 -11.073 1.00 0.00 C ATOM 0 H ILE A 33 83.886 -0.297 -8.845 1.00 0.00 H new ATOM 0 HA ILE A 33 83.669 -1.406 -11.468 1.00 0.00 H new ATOM 0 HB ILE A 33 85.063 1.137 -10.531 1.00 0.00 H new ATOM 0 HG12 ILE A 33 82.166 0.652 -11.394 1.00 0.00 H new ATOM 0 HG13 ILE A 33 82.683 0.970 -9.750 1.00 0.00 H new ATOM 0 HG21 ILE A 33 84.569 1.898 -12.844 1.00 0.00 H new ATOM 0 HG22 ILE A 33 85.595 0.444 -12.856 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.857 0.309 -13.214 1.00 0.00 H new ATOM 0 HD11 ILE A 33 81.879 3.055 -10.835 1.00 0.00 H new ATOM 0 HD12 ILE A 33 83.614 3.180 -10.456 1.00 0.00 H new ATOM 0 HD13 ILE A 33 83.089 2.857 -12.125 1.00 0.00 H new ATOM 157 N GLY A 34 86.596 -1.299 -10.034 1.00 0.00 N ATOM 158 CA GLY A 34 87.988 -1.730 -10.126 1.00 0.00 C ATOM 159 C GLY A 34 88.116 -3.130 -10.732 1.00 0.00 C ATOM 160 O GLY A 34 88.877 -3.330 -11.680 1.00 0.00 O ATOM 0 H GLY A 34 86.333 -0.905 -9.131 1.00 0.00 H new ATOM 0 HA2 GLY A 34 88.548 -1.019 -10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 34 88.436 -1.723 -9.132 1.00 0.00 H new ATOM 164 N ILE A 35 87.387 -4.076 -10.206 1.00 0.00 N ATOM 165 CA ILE A 35 87.441 -5.444 -10.726 1.00 0.00 C ATOM 166 C ILE A 35 86.761 -5.545 -12.089 1.00 0.00 C ATOM 167 O ILE A 35 87.133 -6.375 -12.919 1.00 0.00 O ATOM 168 CB ILE A 35 86.771 -6.406 -9.745 1.00 0.00 C ATOM 169 CG1 ILE A 35 85.337 -5.949 -9.470 1.00 0.00 C ATOM 170 CG2 ILE A 35 87.557 -6.427 -8.434 1.00 0.00 C ATOM 171 CD1 ILE A 35 84.634 -6.979 -8.586 1.00 0.00 C ATOM 0 H ILE A 35 86.748 -3.942 -9.422 1.00 0.00 H new ATOM 0 HA ILE A 35 88.490 -5.716 -10.844 1.00 0.00 H new ATOM 0 HB ILE A 35 86.754 -7.406 -10.178 1.00 0.00 H new ATOM 0 HG12 ILE A 35 85.342 -4.976 -8.979 1.00 0.00 H new ATOM 0 HG13 ILE A 35 84.796 -5.830 -10.409 1.00 0.00 H new ATOM 0 HG21 ILE A 35 87.079 -7.113 -7.734 1.00 0.00 H new ATOM 0 HG22 ILE A 35 88.578 -6.758 -8.627 1.00 0.00 H new ATOM 0 HG23 ILE A 35 87.575 -5.425 -8.005 1.00 0.00 H new ATOM 0 HD11 ILE A 35 83.612 -6.653 -8.390 1.00 0.00 H new ATOM 0 HD12 ILE A 35 84.616 -7.943 -9.094 1.00 0.00 H new ATOM 0 HD13 ILE A 35 85.171 -7.076 -7.643 1.00 0.00 H new ATOM 183 N LEU A 36 85.773 -4.722 -12.299 1.00 0.00 N ATOM 184 CA LEU A 36 85.026 -4.730 -13.553 1.00 0.00 C ATOM 185 C LEU A 36 85.933 -4.407 -14.741 1.00 0.00 C ATOM 186 O LEU A 36 85.789 -4.989 -15.815 1.00 0.00 O ATOM 187 CB LEU A 36 83.891 -3.696 -13.474 1.00 0.00 C ATOM 188 CG LEU A 36 82.967 -3.792 -14.705 1.00 0.00 C ATOM 189 CD1 LEU A 36 81.998 -4.974 -14.560 1.00 0.00 C ATOM 190 CD2 LEU A 36 82.157 -2.495 -14.829 1.00 0.00 C ATOM 0 H LEU A 36 85.455 -4.028 -11.622 1.00 0.00 H new ATOM 0 HA LEU A 36 84.614 -5.728 -13.703 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.310 -3.857 -12.566 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.312 -2.693 -13.409 1.00 0.00 H new ATOM 0 HG LEU A 36 83.580 -3.943 -15.594 1.00 0.00 H new ATOM 0 HD11 LEU A 36 81.354 -5.026 -15.438 1.00 0.00 H new ATOM 0 HD12 LEU A 36 82.565 -5.901 -14.470 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.386 -4.836 -13.669 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.502 -2.557 -15.698 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.556 -2.354 -13.931 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.837 -1.651 -14.947 1.00 0.00 H new ATOM 202 N HIS A 37 86.836 -3.487 -14.549 1.00 0.00 N ATOM 203 CA HIS A 37 87.744 -3.089 -15.621 1.00 0.00 C ATOM 204 C HIS A 37 88.803 -4.154 -15.917 1.00 0.00 C ATOM 205 O HIS A 37 89.301 -4.241 -17.039 1.00 0.00 O ATOM 206 CB HIS A 37 88.414 -1.751 -15.288 1.00 0.00 C ATOM 207 CG HIS A 37 89.456 -1.904 -14.208 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.401 -2.919 -14.209 1.00 0.00 N ATOM 209 CD2 HIS A 37 89.719 -1.153 -13.091 1.00 0.00 C ATOM 210 CE1 HIS A 37 91.177 -2.754 -13.123 1.00 0.00 C ATOM 211 NE2 HIS A 37 90.804 -1.690 -12.407 1.00 0.00 N ATOM 0 H HIS A 37 86.973 -2.992 -13.668 1.00 0.00 H new ATOM 0 HA HIS A 37 87.141 -2.975 -16.522 1.00 0.00 H new ATOM 0 HB2 HIS A 37 88.877 -1.342 -16.186 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.658 -1.035 -14.966 1.00 0.00 H new ATOM 0 HD2 HIS A 37 89.166 -0.276 -12.788 1.00 0.00 H new ATOM 0 HE1 HIS A 37 92.000 -3.402 -12.862 1.00 0.00 H new ATOM 0 HE2 HIS A 37 91.225 -1.345 -11.544 1.00 0.00 H new ATOM 220 N PHE A 38 89.173 -4.918 -14.925 1.00 0.00 N ATOM 221 CA PHE A 38 90.213 -5.929 -15.107 1.00 0.00 C ATOM 222 C PHE A 38 89.909 -6.843 -16.291 1.00 0.00 C ATOM 223 O PHE A 38 90.762 -7.052 -17.153 1.00 0.00 O ATOM 224 CB PHE A 38 90.358 -6.772 -13.839 1.00 0.00 C ATOM 225 CG PHE A 38 91.480 -7.767 -14.026 1.00 0.00 C ATOM 226 CD1 PHE A 38 92.793 -7.420 -13.681 1.00 0.00 C ATOM 227 CD2 PHE A 38 91.207 -9.037 -14.549 1.00 0.00 C ATOM 228 CE1 PHE A 38 93.830 -8.343 -13.859 1.00 0.00 C ATOM 229 CE2 PHE A 38 92.245 -9.960 -14.727 1.00 0.00 C ATOM 230 CZ PHE A 38 93.557 -9.613 -14.382 1.00 0.00 C ATOM 0 H PHE A 38 88.781 -4.871 -13.984 1.00 0.00 H new ATOM 0 HA PHE A 38 91.147 -5.404 -15.310 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.565 -6.130 -12.983 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.425 -7.294 -13.627 1.00 0.00 H new ATOM 0 HD1 PHE A 38 93.005 -6.441 -13.278 1.00 0.00 H new ATOM 0 HD2 PHE A 38 90.195 -9.305 -14.815 1.00 0.00 H new ATOM 0 HE1 PHE A 38 94.842 -8.075 -13.593 1.00 0.00 H new ATOM 0 HE2 PHE A 38 92.034 -10.939 -15.130 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.358 -10.324 -14.519 1.00 0.00 H new ATOM 240 N ILE A 39 88.728 -7.387 -16.324 1.00 0.00 N ATOM 241 CA ILE A 39 88.359 -8.288 -17.411 1.00 0.00 C ATOM 242 C ILE A 39 88.407 -7.571 -18.758 1.00 0.00 C ATOM 243 O ILE A 39 88.672 -8.189 -19.784 1.00 0.00 O ATOM 244 CB ILE A 39 86.950 -8.861 -17.190 1.00 0.00 C ATOM 245 CG1 ILE A 39 86.812 -9.428 -15.747 1.00 0.00 C ATOM 246 CG2 ILE A 39 86.717 -9.981 -18.212 1.00 0.00 C ATOM 247 CD1 ILE A 39 86.131 -8.403 -14.825 1.00 0.00 C ATOM 0 H ILE A 39 88.001 -7.234 -15.626 1.00 0.00 H new ATOM 0 HA ILE A 39 89.082 -9.104 -17.418 1.00 0.00 H new ATOM 0 HB ILE A 39 86.210 -8.071 -17.318 1.00 0.00 H new ATOM 0 HG12 ILE A 39 86.231 -10.350 -15.767 1.00 0.00 H new ATOM 0 HG13 ILE A 39 87.797 -9.681 -15.354 1.00 0.00 H new ATOM 0 HG21 ILE A 39 85.721 -10.401 -18.071 1.00 0.00 H new ATOM 0 HG22 ILE A 39 86.801 -9.576 -19.221 1.00 0.00 H new ATOM 0 HG23 ILE A 39 87.463 -10.763 -18.072 1.00 0.00 H new ATOM 0 HD11 ILE A 39 86.044 -8.818 -13.821 1.00 0.00 H new ATOM 0 HD12 ILE A 39 86.728 -7.492 -14.790 1.00 0.00 H new ATOM 0 HD13 ILE A 39 85.138 -8.171 -15.209 1.00 0.00 H new ATOM 259 N ALA A 40 88.157 -6.293 -18.753 1.00 0.00 N ATOM 260 CA ALA A 40 88.184 -5.520 -19.987 1.00 0.00 C ATOM 261 C ALA A 40 89.614 -5.321 -20.479 1.00 0.00 C ATOM 262 O ALA A 40 89.856 -5.120 -21.663 1.00 0.00 O ATOM 263 CB ALA A 40 87.509 -4.169 -19.767 1.00 0.00 C ATOM 0 H ALA A 40 87.931 -5.754 -17.917 1.00 0.00 H new ATOM 0 HA ALA A 40 87.639 -6.074 -20.751 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.532 -3.595 -20.694 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.474 -4.325 -19.463 1.00 0.00 H new ATOM 0 HB3 ALA A 40 88.038 -3.621 -18.987 1.00 0.00 H new ATOM 269 N TRP A 41 90.534 -5.308 -19.562 1.00 0.00 N ATOM 270 CA TRP A 41 91.936 -5.071 -19.876 1.00 0.00 C ATOM 271 C TRP A 41 92.518 -6.118 -20.830 1.00 0.00 C ATOM 272 O TRP A 41 93.150 -5.779 -21.830 1.00 0.00 O ATOM 273 CB TRP A 41 92.710 -5.093 -18.562 1.00 0.00 C ATOM 274 CG TRP A 41 94.057 -4.504 -18.764 1.00 0.00 C ATOM 275 CD1 TRP A 41 95.042 -5.071 -19.486 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.578 -3.251 -18.251 1.00 0.00 C ATOM 277 NE1 TRP A 41 96.147 -4.233 -19.459 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.906 -3.096 -18.703 1.00 0.00 C ATOM 279 CE3 TRP A 41 94.027 -2.242 -17.442 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.662 -1.974 -18.365 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.785 -1.115 -17.097 1.00 0.00 C ATOM 282 CH2 TRP A 41 96.100 -0.981 -17.558 1.00 0.00 C ATOM 0 H TRP A 41 90.348 -5.460 -18.571 1.00 0.00 H new ATOM 0 HA TRP A 41 92.020 -4.110 -20.383 1.00 0.00 H new ATOM 0 HB2 TRP A 41 92.168 -4.532 -17.800 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.801 -6.117 -18.200 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.982 -6.019 -20.000 1.00 0.00 H new ATOM 0 HE1 TRP A 41 97.027 -4.429 -19.936 1.00 0.00 H new ATOM 0 HE3 TRP A 41 93.012 -2.336 -17.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.675 -1.873 -18.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 94.353 -0.347 -16.473 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.680 -0.110 -17.290 1.00 0.00 H new ATOM 293 N THR A 42 92.336 -7.359 -20.497 1.00 0.00 N ATOM 294 CA THR A 42 92.875 -8.463 -21.292 1.00 0.00 C ATOM 295 C THR A 42 92.538 -8.360 -22.785 1.00 0.00 C ATOM 296 O THR A 42 93.376 -8.694 -23.621 1.00 0.00 O ATOM 297 CB THR A 42 92.355 -9.796 -20.744 1.00 0.00 C ATOM 298 OG1 THR A 42 92.413 -10.786 -21.762 1.00 0.00 O ATOM 299 CG2 THR A 42 90.911 -9.623 -20.286 1.00 0.00 C ATOM 0 H THR A 42 91.814 -7.653 -19.672 1.00 0.00 H new ATOM 0 HA THR A 42 93.960 -8.406 -21.207 1.00 0.00 H new ATOM 0 HB THR A 42 92.972 -10.108 -19.902 1.00 0.00 H new ATOM 0 HG1 THR A 42 92.081 -11.638 -21.409 1.00 0.00 H new ATOM 0 HG21 THR A 42 90.537 -10.569 -19.895 1.00 0.00 H new ATOM 0 HG22 THR A 42 90.866 -8.865 -19.504 1.00 0.00 H new ATOM 0 HG23 THR A 42 90.296 -9.311 -21.130 1.00 0.00 H new ATOM 307 N ILE A 43 91.349 -7.934 -23.130 1.00 0.00 N ATOM 308 CA ILE A 43 90.990 -7.848 -24.551 1.00 0.00 C ATOM 309 C ILE A 43 91.754 -6.722 -25.262 1.00 0.00 C ATOM 310 O ILE A 43 92.213 -6.902 -26.388 1.00 0.00 O ATOM 311 CB ILE A 43 89.475 -7.663 -24.729 1.00 0.00 C ATOM 312 CG1 ILE A 43 88.972 -6.569 -23.795 1.00 0.00 C ATOM 313 CG2 ILE A 43 88.750 -8.973 -24.401 1.00 0.00 C ATOM 314 CD1 ILE A 43 87.539 -6.187 -24.176 1.00 0.00 C ATOM 0 H ILE A 43 90.620 -7.645 -22.478 1.00 0.00 H new ATOM 0 HA ILE A 43 91.279 -8.792 -25.013 1.00 0.00 H new ATOM 0 HB ILE A 43 89.275 -7.381 -25.763 1.00 0.00 H new ATOM 0 HG12 ILE A 43 89.004 -6.916 -22.762 1.00 0.00 H new ATOM 0 HG13 ILE A 43 89.621 -5.696 -23.859 1.00 0.00 H new ATOM 0 HG21 ILE A 43 87.676 -8.836 -24.529 1.00 0.00 H new ATOM 0 HG22 ILE A 43 89.098 -9.759 -25.071 1.00 0.00 H new ATOM 0 HG23 ILE A 43 88.959 -9.256 -23.370 1.00 0.00 H new ATOM 0 HD11 ILE A 43 87.181 -5.405 -23.507 1.00 0.00 H new ATOM 0 HD12 ILE A 43 87.520 -5.823 -25.203 1.00 0.00 H new ATOM 0 HD13 ILE A 43 86.894 -7.061 -24.089 1.00 0.00 H new ATOM 326 N GLY A 44 91.886 -5.584 -24.625 1.00 0.00 N ATOM 327 CA GLY A 44 92.602 -4.454 -25.234 1.00 0.00 C ATOM 328 C GLY A 44 94.071 -4.801 -25.460 1.00 0.00 C ATOM 329 O GLY A 44 94.713 -4.297 -26.382 1.00 0.00 O ATOM 0 H GLY A 44 91.516 -5.401 -23.692 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.136 -4.191 -26.184 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.526 -3.579 -24.589 1.00 0.00 H new ATOM 333 N HIS A 45 94.573 -5.652 -24.620 1.00 0.00 N ATOM 334 CA HIS A 45 95.957 -6.095 -24.711 1.00 0.00 C ATOM 335 C HIS A 45 96.236 -6.685 -26.097 1.00 0.00 C ATOM 336 O HIS A 45 97.380 -6.718 -26.550 1.00 0.00 O ATOM 337 CB HIS A 45 96.246 -7.144 -23.637 1.00 0.00 C ATOM 338 CG HIS A 45 97.723 -7.436 -23.601 1.00 0.00 C ATOM 339 ND1 HIS A 45 98.824 -6.614 -23.631 1.00 0.00 N flip ATOM 340 CD2 HIS A 45 98.221 -8.728 -23.516 1.00 0.00 C flip ATOM 341 CE1 HIS A 45 99.984 -7.381 -23.563 1.00 0.00 C flip ATOM 342 NE2 HIS A 45 99.565 -8.646 -23.496 1.00 0.00 N flip ATOM 0 H HIS A 45 94.049 -6.066 -23.849 1.00 0.00 H new ATOM 0 HA HIS A 45 96.607 -5.234 -24.554 1.00 0.00 H new ATOM 0 HB2 HIS A 45 95.912 -6.784 -22.664 1.00 0.00 H new ATOM 0 HB3 HIS A 45 95.689 -8.057 -23.847 1.00 0.00 H new ATOM 0 HD2 HIS A 45 97.637 -9.635 -23.474 1.00 0.00 H new ATOM 0 HE1 HIS A 45 101.005 -7.028 -23.564 1.00 0.00 H new ATOM 0 HE2 HIS A 45 100.187 -9.452 -23.437 1.00 0.00 H new ATOM 351 N LEU A 46 95.208 -7.197 -26.725 1.00 0.00 N ATOM 352 CA LEU A 46 95.357 -7.856 -28.025 1.00 0.00 C ATOM 353 C LEU A 46 96.224 -7.069 -29.004 1.00 0.00 C ATOM 354 O LEU A 46 96.886 -7.675 -29.846 1.00 0.00 O ATOM 355 CB LEU A 46 93.966 -8.209 -28.624 1.00 0.00 C ATOM 356 CG LEU A 46 93.314 -7.085 -29.496 1.00 0.00 C ATOM 357 CD1 LEU A 46 93.400 -5.696 -28.836 1.00 0.00 C ATOM 358 CD2 LEU A 46 93.903 -7.035 -30.923 1.00 0.00 C ATOM 0 H LEU A 46 94.253 -7.177 -26.368 1.00 0.00 H new ATOM 0 HA LEU A 46 95.897 -8.787 -27.849 1.00 0.00 H new ATOM 0 HB2 LEU A 46 94.067 -9.107 -29.233 1.00 0.00 H new ATOM 0 HB3 LEU A 46 93.287 -8.453 -27.807 1.00 0.00 H new ATOM 0 HG LEU A 46 92.260 -7.352 -29.572 1.00 0.00 H new ATOM 0 HD11 LEU A 46 92.932 -4.955 -29.485 1.00 0.00 H new ATOM 0 HD12 LEU A 46 92.883 -5.716 -27.877 1.00 0.00 H new ATOM 0 HD13 LEU A 46 94.446 -5.432 -28.679 1.00 0.00 H new ATOM 0 HD21 LEU A 46 93.419 -6.239 -31.489 1.00 0.00 H new ATOM 0 HD22 LEU A 46 94.974 -6.841 -30.868 1.00 0.00 H new ATOM 0 HD23 LEU A 46 93.733 -7.990 -31.421 1.00 0.00 H new ATOM 370 N ASN A 47 96.259 -5.770 -28.914 1.00 0.00 N ATOM 371 CA ASN A 47 97.107 -5.019 -29.841 1.00 0.00 C ATOM 372 C ASN A 47 98.559 -5.479 -29.689 1.00 0.00 C ATOM 373 O ASN A 47 99.217 -5.831 -30.667 1.00 0.00 O ATOM 374 CB ASN A 47 97.018 -3.521 -29.550 1.00 0.00 C ATOM 375 CG ASN A 47 95.633 -2.999 -29.904 1.00 0.00 C ATOM 376 OD1 ASN A 47 95.316 -2.821 -31.079 1.00 0.00 O ATOM 377 ND2 ASN A 47 94.783 -2.744 -28.948 1.00 0.00 N ATOM 0 H ASN A 47 95.737 -5.211 -28.240 1.00 0.00 H new ATOM 0 HA ASN A 47 96.764 -5.203 -30.859 1.00 0.00 H new ATOM 0 HB2 ASN A 47 97.227 -3.335 -28.497 1.00 0.00 H new ATOM 0 HB3 ASN A 47 97.774 -2.986 -30.124 1.00 0.00 H new ATOM 0 HD21 ASN A 47 93.851 -2.396 -29.174 1.00 0.00 H new ATOM 0 HD22 ASN A 47 95.050 -2.893 -27.975 1.00 0.00 H new ATOM 384 N GLN A 48 99.036 -5.468 -28.470 1.00 0.00 N ATOM 385 CA GLN A 48 100.407 -5.880 -28.182 1.00 0.00 C ATOM 386 C GLN A 48 100.706 -7.245 -28.798 1.00 0.00 C ATOM 387 O GLN A 48 101.636 -7.384 -29.590 1.00 0.00 O ATOM 388 CB GLN A 48 100.626 -5.940 -26.664 1.00 0.00 C ATOM 389 CG GLN A 48 102.114 -6.168 -26.352 1.00 0.00 C ATOM 390 CD GLN A 48 102.462 -7.649 -26.468 1.00 0.00 C ATOM 391 OE1 GLN A 48 102.286 -8.405 -25.514 1.00 0.00 O ATOM 392 NE2 GLN A 48 102.955 -8.107 -27.586 1.00 0.00 N ATOM 0 H GLN A 48 98.501 -5.179 -27.651 1.00 0.00 H new ATOM 0 HA GLN A 48 101.084 -5.146 -28.620 1.00 0.00 H new ATOM 0 HB2 GLN A 48 100.288 -5.012 -26.203 1.00 0.00 H new ATOM 0 HB3 GLN A 48 100.029 -6.745 -26.234 1.00 0.00 H new ATOM 0 HG2 GLN A 48 102.729 -5.589 -27.040 1.00 0.00 H new ATOM 0 HG3 GLN A 48 102.340 -5.813 -25.347 1.00 0.00 H new ATOM 0 HE21 GLN A 48 103.100 -7.477 -28.375 1.00 0.00 H new ATOM 0 HE22 GLN A 48 103.196 -9.095 -27.671 1.00 0.00 H new ATOM 401 N ILE A 49 99.934 -8.234 -28.433 1.00 0.00 N ATOM 402 CA ILE A 49 100.137 -9.583 -28.955 1.00 0.00 C ATOM 403 C ILE A 49 100.311 -9.552 -30.471 1.00 0.00 C ATOM 404 O ILE A 49 101.278 -10.093 -31.007 1.00 0.00 O ATOM 405 CB ILE A 49 98.932 -10.461 -28.603 1.00 0.00 C ATOM 406 CG1 ILE A 49 98.603 -10.333 -27.108 1.00 0.00 C ATOM 407 CG2 ILE A 49 99.248 -11.920 -28.933 1.00 0.00 C ATOM 408 CD1 ILE A 49 99.857 -10.581 -26.263 1.00 0.00 C ATOM 0 H ILE A 49 99.157 -8.144 -27.778 1.00 0.00 H new ATOM 0 HA ILE A 49 101.039 -9.995 -28.503 1.00 0.00 H new ATOM 0 HB ILE A 49 98.072 -10.132 -29.186 1.00 0.00 H new ATOM 0 HG12 ILE A 49 98.207 -9.339 -26.900 1.00 0.00 H new ATOM 0 HG13 ILE A 49 97.827 -11.049 -26.837 1.00 0.00 H new ATOM 0 HG21 ILE A 49 98.390 -12.544 -28.682 1.00 0.00 H new ATOM 0 HG22 ILE A 49 99.466 -12.013 -29.997 1.00 0.00 H new ATOM 0 HG23 ILE A 49 100.114 -12.244 -28.355 1.00 0.00 H new ATOM 0 HD11 ILE A 49 99.608 -10.487 -25.206 1.00 0.00 H new ATOM 0 HD12 ILE A 49 100.235 -11.584 -26.459 1.00 0.00 H new ATOM 0 HD13 ILE A 49 100.621 -9.848 -26.522 1.00 0.00 H new ATOM 420 N LYS A 50 99.380 -8.933 -31.144 1.00 0.00 N ATOM 421 CA LYS A 50 99.434 -8.845 -32.601 1.00 0.00 C ATOM 422 C LYS A 50 100.476 -7.816 -33.041 1.00 0.00 C ATOM 423 O LYS A 50 101.518 -8.172 -33.594 1.00 0.00 O ATOM 424 CB LYS A 50 98.044 -8.464 -33.146 1.00 0.00 C ATOM 425 CG LYS A 50 97.837 -9.062 -34.545 1.00 0.00 C ATOM 426 CD LYS A 50 98.892 -8.509 -35.506 1.00 0.00 C ATOM 427 CE LYS A 50 98.492 -8.843 -36.944 1.00 0.00 C ATOM 428 NZ LYS A 50 97.196 -8.183 -37.266 1.00 0.00 N ATOM 0 H LYS A 50 98.571 -8.479 -30.720 1.00 0.00 H new ATOM 0 HA LYS A 50 99.725 -9.816 -33.003 1.00 0.00 H new ATOM 0 HB2 LYS A 50 97.269 -8.826 -32.470 1.00 0.00 H new ATOM 0 HB3 LYS A 50 97.948 -7.379 -33.189 1.00 0.00 H new ATOM 0 HG2 LYS A 50 97.907 -10.149 -34.500 1.00 0.00 H new ATOM 0 HG3 LYS A 50 96.838 -8.822 -34.909 1.00 0.00 H new ATOM 0 HD2 LYS A 50 98.982 -7.430 -35.383 1.00 0.00 H new ATOM 0 HD3 LYS A 50 99.868 -8.938 -35.279 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.265 -8.507 -37.635 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.403 -9.922 -37.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 97.154 -7.979 -38.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 96.411 -8.814 -37.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 97.116 -7.295 -36.731 1.00 0.00 H new ATOM 442 N ARG A 51 100.193 -6.565 -32.801 1.00 0.00 N ATOM 443 CA ARG A 51 101.112 -5.497 -33.184 1.00 0.00 C ATOM 444 C ARG A 51 102.353 -5.512 -32.296 1.00 0.00 C ATOM 445 O ARG A 51 102.250 -5.537 -31.069 1.00 0.00 O ATOM 446 CB ARG A 51 100.412 -4.141 -33.068 1.00 0.00 C ATOM 447 CG ARG A 51 101.233 -3.075 -33.798 1.00 0.00 C ATOM 448 CD ARG A 51 100.493 -1.737 -33.745 1.00 0.00 C ATOM 449 NE ARG A 51 101.123 -0.773 -34.640 1.00 0.00 N ATOM 450 CZ ARG A 51 100.643 0.433 -34.780 1.00 0.00 C ATOM 451 NH1 ARG A 51 99.585 0.796 -34.107 1.00 0.00 N ATOM 452 NH2 ARG A 51 101.223 1.275 -35.591 1.00 0.00 N ATOM 0 H ARG A 51 99.338 -6.248 -32.344 1.00 0.00 H new ATOM 0 HA ARG A 51 101.419 -5.660 -34.217 1.00 0.00 H new ATOM 0 HB2 ARG A 51 99.411 -4.199 -33.495 1.00 0.00 H new ATOM 0 HB3 ARG A 51 100.295 -3.869 -32.019 1.00 0.00 H new ATOM 0 HG2 ARG A 51 102.216 -2.978 -33.336 1.00 0.00 H new ATOM 0 HG3 ARG A 51 101.396 -3.372 -34.834 1.00 0.00 H new ATOM 0 HD2 ARG A 51 99.450 -1.879 -34.029 1.00 0.00 H new ATOM 0 HD3 ARG A 51 100.496 -1.352 -32.725 1.00 0.00 H new ATOM 0 HE ARG A 51 101.953 -1.046 -35.166 1.00 0.00 H new ATOM 0 HH11 ARG A 51 99.134 0.138 -33.472 1.00 0.00 H new ATOM 0 HH12 ARG A 51 99.210 1.738 -34.216 1.00 0.00 H new ATOM 0 HH21 ARG A 51 102.051 0.991 -36.115 1.00 0.00 H new ATOM 0 HH22 ARG A 51 100.849 2.217 -35.701 1.00 0.00 H new ATOM 466 N GLY A 52 103.503 -5.497 -32.913 1.00 0.00 N ATOM 467 CA GLY A 52 104.757 -5.507 -32.170 1.00 0.00 C ATOM 468 C GLY A 52 104.802 -4.367 -31.158 1.00 0.00 C ATOM 0 H GLY A 52 103.609 -5.478 -33.927 1.00 0.00 H new ATOM 0 HA2 GLY A 52 104.871 -6.461 -31.654 1.00 0.00 H new ATOM 0 HA3 GLY A 52 105.594 -5.417 -32.862 1.00 0.00 H new ATOM 473 N SER B 23 86.835 19.086 4.964 1.00 0.00 N ATOM 474 CA SER B 23 85.727 18.739 4.032 1.00 0.00 C ATOM 475 C SER B 23 86.285 18.589 2.620 1.00 0.00 C ATOM 476 O SER B 23 86.535 19.579 1.933 1.00 0.00 O ATOM 477 CB SER B 23 84.675 19.848 4.062 1.00 0.00 C ATOM 478 OG SER B 23 85.247 21.051 3.564 1.00 0.00 O ATOM 0 HA SER B 23 85.266 17.800 4.338 1.00 0.00 H new ATOM 0 HB2 SER B 23 83.813 19.564 3.458 1.00 0.00 H new ATOM 0 HB3 SER B 23 84.316 19.997 5.080 1.00 0.00 H new ATOM 0 HG SER B 23 85.917 20.837 2.882 1.00 0.00 H new ATOM 483 N ASP B 24 86.478 17.365 2.204 1.00 0.00 N ATOM 484 CA ASP B 24 87.013 17.092 0.874 1.00 0.00 C ATOM 485 C ASP B 24 86.618 15.688 0.417 1.00 0.00 C ATOM 486 O ASP B 24 87.402 14.750 0.550 1.00 0.00 O ATOM 487 CB ASP B 24 88.540 17.199 0.903 1.00 0.00 C ATOM 488 CG ASP B 24 88.956 18.581 1.394 1.00 0.00 C ATOM 489 OD1 ASP B 24 89.088 19.468 0.568 1.00 0.00 O ATOM 490 OD2 ASP B 24 89.139 18.732 2.591 1.00 0.00 O ATOM 0 H ASP B 24 86.276 16.533 2.759 1.00 0.00 H new ATOM 0 HA ASP B 24 86.602 17.822 0.177 1.00 0.00 H new ATOM 0 HB2 ASP B 24 88.954 16.432 1.557 1.00 0.00 H new ATOM 0 HB3 ASP B 24 88.944 17.021 -0.093 1.00 0.00 H new ATOM 495 N PRO B 25 85.427 15.528 -0.112 1.00 0.00 N ATOM 496 CA PRO B 25 84.925 14.203 -0.597 1.00 0.00 C ATOM 497 C PRO B 25 85.928 13.502 -1.517 1.00 0.00 C ATOM 498 O PRO B 25 85.757 13.471 -2.736 1.00 0.00 O ATOM 499 CB PRO B 25 83.628 14.563 -1.342 1.00 0.00 C ATOM 500 CG PRO B 25 83.159 15.829 -0.700 1.00 0.00 C ATOM 501 CD PRO B 25 84.424 16.591 -0.302 1.00 0.00 C ATOM 0 HA PRO B 25 84.767 13.496 0.218 1.00 0.00 H new ATOM 0 HB2 PRO B 25 83.810 14.703 -2.408 1.00 0.00 H new ATOM 0 HB3 PRO B 25 82.884 13.772 -1.247 1.00 0.00 H new ATOM 0 HG2 PRO B 25 82.551 16.415 -1.390 1.00 0.00 H new ATOM 0 HG3 PRO B 25 82.539 15.619 0.172 1.00 0.00 H new ATOM 0 HD2 PRO B 25 84.728 17.295 -1.077 1.00 0.00 H new ATOM 0 HD3 PRO B 25 84.274 17.168 0.611 1.00 0.00 H new ATOM 509 N LEU B 26 86.950 12.945 -0.931 1.00 0.00 N ATOM 510 CA LEU B 26 87.967 12.238 -1.696 1.00 0.00 C ATOM 511 C LEU B 26 87.396 10.936 -2.245 1.00 0.00 C ATOM 512 O LEU B 26 87.595 10.596 -3.412 1.00 0.00 O ATOM 513 CB LEU B 26 89.165 11.920 -0.787 1.00 0.00 C ATOM 514 CG LEU B 26 90.015 13.190 -0.550 1.00 0.00 C ATOM 515 CD1 LEU B 26 90.718 13.092 0.808 1.00 0.00 C ATOM 516 CD2 LEU B 26 91.064 13.332 -1.660 1.00 0.00 C ATOM 0 H LEU B 26 87.111 12.961 0.076 1.00 0.00 H new ATOM 0 HA LEU B 26 88.289 12.868 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU B 26 88.812 11.528 0.167 1.00 0.00 H new ATOM 0 HB3 LEU B 26 89.779 11.144 -1.243 1.00 0.00 H new ATOM 0 HG LEU B 26 89.362 14.063 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU B 26 91.317 13.988 0.973 1.00 0.00 H new ATOM 0 HD12 LEU B 26 89.972 13.003 1.598 1.00 0.00 H new ATOM 0 HD13 LEU B 26 91.366 12.215 0.820 1.00 0.00 H new ATOM 0 HD21 LEU B 26 91.659 14.229 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU B 26 91.716 12.458 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU B 26 90.564 13.410 -2.625 1.00 0.00 H new ATOM 528 N VAL B 27 86.729 10.209 -1.388 1.00 0.00 N ATOM 529 CA VAL B 27 86.157 8.920 -1.760 1.00 0.00 C ATOM 530 C VAL B 27 85.158 9.021 -2.905 1.00 0.00 C ATOM 531 O VAL B 27 85.255 8.277 -3.876 1.00 0.00 O ATOM 532 CB VAL B 27 85.438 8.306 -0.558 1.00 0.00 C ATOM 533 CG1 VAL B 27 84.853 6.943 -0.953 1.00 0.00 C ATOM 534 CG2 VAL B 27 86.425 8.134 0.596 1.00 0.00 C ATOM 0 H VAL B 27 86.562 10.480 -0.419 1.00 0.00 H new ATOM 0 HA VAL B 27 86.990 8.298 -2.088 1.00 0.00 H new ATOM 0 HB VAL B 27 84.630 8.965 -0.241 1.00 0.00 H new ATOM 0 HG11 VAL B 27 84.340 6.505 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL B 27 84.145 7.074 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL B 27 85.658 6.280 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL B 27 85.911 7.696 1.452 1.00 0.00 H new ATOM 0 HG22 VAL B 27 87.237 7.477 0.285 1.00 0.00 H new ATOM 0 HG23 VAL B 27 86.832 9.106 0.875 1.00 0.00 H new ATOM 544 N VAL B 28 84.204 9.903 -2.795 1.00 0.00 N ATOM 545 CA VAL B 28 83.186 10.054 -3.830 1.00 0.00 C ATOM 546 C VAL B 28 83.719 10.709 -5.101 1.00 0.00 C ATOM 547 O VAL B 28 83.174 10.499 -6.184 1.00 0.00 O ATOM 548 CB VAL B 28 82.020 10.872 -3.279 1.00 0.00 C ATOM 549 CG1 VAL B 28 80.872 10.871 -4.290 1.00 0.00 C ATOM 550 CG2 VAL B 28 81.545 10.244 -1.964 1.00 0.00 C ATOM 0 H VAL B 28 84.099 10.536 -2.002 1.00 0.00 H new ATOM 0 HA VAL B 28 82.857 9.052 -4.106 1.00 0.00 H new ATOM 0 HB VAL B 28 82.342 11.898 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL B 28 80.040 11.455 -3.896 1.00 0.00 H new ATOM 0 HG12 VAL B 28 81.212 11.311 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL B 28 80.544 9.847 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL B 28 80.712 10.823 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL B 28 81.220 9.220 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL B 28 82.364 10.242 -1.245 1.00 0.00 H new ATOM 560 N ALA B 29 84.750 11.498 -4.977 1.00 0.00 N ATOM 561 CA ALA B 29 85.298 12.170 -6.149 1.00 0.00 C ATOM 562 C ALA B 29 86.006 11.185 -7.076 1.00 0.00 C ATOM 563 O ALA B 29 85.713 11.128 -8.268 1.00 0.00 O ATOM 564 CB ALA B 29 86.281 13.258 -5.718 1.00 0.00 C ATOM 0 H ALA B 29 85.229 11.697 -4.099 1.00 0.00 H new ATOM 0 HA ALA B 29 84.467 12.618 -6.693 1.00 0.00 H new ATOM 0 HB1 ALA B 29 86.685 13.754 -6.601 1.00 0.00 H new ATOM 0 HB2 ALA B 29 85.765 13.989 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA B 29 87.095 12.808 -5.150 1.00 0.00 H new ATOM 570 N ALA B 30 86.917 10.424 -6.537 1.00 0.00 N ATOM 571 CA ALA B 30 87.646 9.451 -7.337 1.00 0.00 C ATOM 572 C ALA B 30 86.769 8.255 -7.696 1.00 0.00 C ATOM 573 O ALA B 30 86.970 7.613 -8.728 1.00 0.00 O ATOM 574 CB ALA B 30 88.888 8.987 -6.589 1.00 0.00 C ATOM 0 H ALA B 30 87.179 10.450 -5.552 1.00 0.00 H new ATOM 0 HA ALA B 30 87.946 9.935 -8.266 1.00 0.00 H new ATOM 0 HB1 ALA B 30 89.427 8.259 -7.195 1.00 0.00 H new ATOM 0 HB2 ALA B 30 89.533 9.842 -6.390 1.00 0.00 H new ATOM 0 HB3 ALA B 30 88.594 8.527 -5.646 1.00 0.00 H new ATOM 580 N SER B 31 85.821 7.959 -6.850 1.00 0.00 N ATOM 581 CA SER B 31 84.928 6.830 -7.079 1.00 0.00 C ATOM 582 C SER B 31 83.956 7.087 -8.231 1.00 0.00 C ATOM 583 O SER B 31 83.761 6.224 -9.086 1.00 0.00 O ATOM 584 CB SER B 31 84.141 6.534 -5.806 1.00 0.00 C ATOM 585 OG SER B 31 83.286 5.422 -6.028 1.00 0.00 O ATOM 0 H SER B 31 85.638 8.478 -5.991 1.00 0.00 H new ATOM 0 HA SER B 31 85.545 5.973 -7.351 1.00 0.00 H new ATOM 0 HB2 SER B 31 84.824 6.323 -4.984 1.00 0.00 H new ATOM 0 HB3 SER B 31 83.554 7.406 -5.517 1.00 0.00 H new ATOM 0 HG SER B 31 82.781 5.230 -5.211 1.00 0.00 H new ATOM 591 N ILE B 32 83.339 8.239 -8.239 1.00 0.00 N ATOM 592 CA ILE B 32 82.364 8.592 -9.270 1.00 0.00 C ATOM 593 C ILE B 32 83.007 8.821 -10.640 1.00 0.00 C ATOM 594 O ILE B 32 82.347 8.687 -11.667 1.00 0.00 O ATOM 595 CB ILE B 32 81.595 9.854 -8.828 1.00 0.00 C ATOM 596 CG1 ILE B 32 80.245 9.924 -9.550 1.00 0.00 C ATOM 597 CG2 ILE B 32 82.406 11.115 -9.148 1.00 0.00 C ATOM 598 CD1 ILE B 32 79.476 11.157 -9.070 1.00 0.00 C ATOM 0 H ILE B 32 83.488 8.966 -7.539 1.00 0.00 H new ATOM 0 HA ILE B 32 81.682 7.749 -9.382 1.00 0.00 H new ATOM 0 HB ILE B 32 81.432 9.798 -7.752 1.00 0.00 H new ATOM 0 HG12 ILE B 32 80.399 9.974 -10.628 1.00 0.00 H new ATOM 0 HG13 ILE B 32 79.667 9.021 -9.352 1.00 0.00 H new ATOM 0 HG21 ILE B 32 81.849 11.996 -8.830 1.00 0.00 H new ATOM 0 HG22 ILE B 32 83.359 11.078 -8.621 1.00 0.00 H new ATOM 0 HG23 ILE B 32 82.587 11.168 -10.222 1.00 0.00 H new ATOM 0 HD11 ILE B 32 78.515 11.209 -9.582 1.00 0.00 H new ATOM 0 HD12 ILE B 32 79.311 11.087 -7.995 1.00 0.00 H new ATOM 0 HD13 ILE B 32 80.054 12.055 -9.290 1.00 0.00 H new ATOM 610 N ILE B 33 84.258 9.181 -10.653 1.00 0.00 N ATOM 611 CA ILE B 33 84.944 9.440 -11.914 1.00 0.00 C ATOM 612 C ILE B 33 85.133 8.158 -12.729 1.00 0.00 C ATOM 613 O ILE B 33 85.102 8.200 -13.957 1.00 0.00 O ATOM 614 CB ILE B 33 86.306 10.110 -11.647 1.00 0.00 C ATOM 615 CG1 ILE B 33 86.075 11.575 -11.257 1.00 0.00 C ATOM 616 CG2 ILE B 33 87.185 10.058 -12.906 1.00 0.00 C ATOM 617 CD1 ILE B 33 87.367 12.175 -10.702 1.00 0.00 C ATOM 0 H ILE B 33 84.832 9.305 -9.819 1.00 0.00 H new ATOM 0 HA ILE B 33 84.320 10.114 -12.501 1.00 0.00 H new ATOM 0 HB ILE B 33 86.811 9.578 -10.840 1.00 0.00 H new ATOM 0 HG12 ILE B 33 85.743 12.144 -12.126 1.00 0.00 H new ATOM 0 HG13 ILE B 33 85.283 11.641 -10.511 1.00 0.00 H new ATOM 0 HG21 ILE B 33 88.143 10.535 -12.701 1.00 0.00 H new ATOM 0 HG22 ILE B 33 87.351 9.019 -13.191 1.00 0.00 H new ATOM 0 HG23 ILE B 33 86.685 10.583 -13.720 1.00 0.00 H new ATOM 0 HD11 ILE B 33 87.196 13.216 -10.427 1.00 0.00 H new ATOM 0 HD12 ILE B 33 87.680 11.614 -9.822 1.00 0.00 H new ATOM 0 HD13 ILE B 33 88.147 12.124 -11.461 1.00 0.00 H new ATOM 629 N GLY B 34 85.377 7.055 -12.076 1.00 0.00 N ATOM 630 CA GLY B 34 85.630 5.805 -12.789 1.00 0.00 C ATOM 631 C GLY B 34 84.611 5.515 -13.891 1.00 0.00 C ATOM 632 O GLY B 34 84.998 5.200 -15.016 1.00 0.00 O ATOM 0 H GLY B 34 85.409 6.982 -11.059 1.00 0.00 H new ATOM 0 HA2 GLY B 34 86.627 5.841 -13.228 1.00 0.00 H new ATOM 0 HA3 GLY B 34 85.626 4.981 -12.075 1.00 0.00 H new ATOM 636 N ILE B 35 83.344 5.607 -13.594 1.00 0.00 N ATOM 637 CA ILE B 35 82.332 5.331 -14.613 1.00 0.00 C ATOM 638 C ILE B 35 82.659 6.108 -15.895 1.00 0.00 C ATOM 639 O ILE B 35 82.354 5.657 -16.998 1.00 0.00 O ATOM 640 CB ILE B 35 80.926 5.673 -14.078 1.00 0.00 C ATOM 641 CG1 ILE B 35 79.958 5.974 -15.234 1.00 0.00 C ATOM 642 CG2 ILE B 35 81.019 6.881 -13.156 1.00 0.00 C ATOM 643 CD1 ILE B 35 78.519 5.948 -14.718 1.00 0.00 C ATOM 0 H ILE B 35 82.978 5.865 -12.677 1.00 0.00 H new ATOM 0 HA ILE B 35 82.339 4.268 -14.854 1.00 0.00 H new ATOM 0 HB ILE B 35 80.543 4.815 -13.527 1.00 0.00 H new ATOM 0 HG12 ILE B 35 80.183 6.949 -15.665 1.00 0.00 H new ATOM 0 HG13 ILE B 35 80.084 5.238 -16.028 1.00 0.00 H new ATOM 0 HG21 ILE B 35 80.027 7.126 -12.776 1.00 0.00 H new ATOM 0 HG22 ILE B 35 81.681 6.651 -12.321 1.00 0.00 H new ATOM 0 HG23 ILE B 35 81.415 7.732 -13.710 1.00 0.00 H new ATOM 0 HD11 ILE B 35 77.834 6.162 -15.539 1.00 0.00 H new ATOM 0 HD12 ILE B 35 78.297 4.963 -14.308 1.00 0.00 H new ATOM 0 HD13 ILE B 35 78.398 6.701 -13.939 1.00 0.00 H new ATOM 655 N LEU B 36 83.296 7.241 -15.749 1.00 0.00 N ATOM 656 CA LEU B 36 83.686 8.036 -16.911 1.00 0.00 C ATOM 657 C LEU B 36 84.648 7.224 -17.776 1.00 0.00 C ATOM 658 O LEU B 36 84.483 7.103 -18.985 1.00 0.00 O ATOM 659 CB LEU B 36 84.384 9.321 -16.441 1.00 0.00 C ATOM 660 CG LEU B 36 84.469 10.345 -17.593 1.00 0.00 C ATOM 661 CD1 LEU B 36 83.183 11.177 -17.654 1.00 0.00 C ATOM 662 CD2 LEU B 36 85.660 11.286 -17.358 1.00 0.00 C ATOM 0 H LEU B 36 83.559 7.642 -14.849 1.00 0.00 H new ATOM 0 HA LEU B 36 82.800 8.295 -17.491 1.00 0.00 H new ATOM 0 HB2 LEU B 36 83.837 9.753 -15.603 1.00 0.00 H new ATOM 0 HB3 LEU B 36 85.386 9.086 -16.081 1.00 0.00 H new ATOM 0 HG LEU B 36 84.599 9.807 -18.532 1.00 0.00 H new ATOM 0 HD11 LEU B 36 83.253 11.896 -18.470 1.00 0.00 H new ATOM 0 HD12 LEU B 36 82.331 10.518 -17.823 1.00 0.00 H new ATOM 0 HD13 LEU B 36 83.049 11.709 -16.712 1.00 0.00 H new ATOM 0 HD21 LEU B 36 85.719 12.009 -18.172 1.00 0.00 H new ATOM 0 HD22 LEU B 36 85.526 11.813 -16.414 1.00 0.00 H new ATOM 0 HD23 LEU B 36 86.581 10.705 -17.321 1.00 0.00 H new ATOM 674 N HIS B 37 85.649 6.698 -17.137 1.00 0.00 N ATOM 675 CA HIS B 37 86.654 5.908 -17.835 1.00 0.00 C ATOM 676 C HIS B 37 86.008 4.747 -18.592 1.00 0.00 C ATOM 677 O HIS B 37 86.532 4.287 -19.603 1.00 0.00 O ATOM 678 CB HIS B 37 87.735 5.407 -16.852 1.00 0.00 C ATOM 679 CG HIS B 37 87.311 4.163 -16.093 1.00 0.00 C ATOM 680 ND1 HIS B 37 86.598 3.116 -16.663 1.00 0.00 N ATOM 681 CD2 HIS B 37 87.534 3.785 -14.789 1.00 0.00 C ATOM 682 CE1 HIS B 37 86.418 2.179 -15.715 1.00 0.00 C ATOM 683 NE2 HIS B 37 86.969 2.537 -14.554 1.00 0.00 N ATOM 0 H HIS B 37 85.804 6.794 -16.133 1.00 0.00 H new ATOM 0 HA HIS B 37 87.142 6.548 -18.569 1.00 0.00 H new ATOM 0 HB2 HIS B 37 88.651 5.195 -17.404 1.00 0.00 H new ATOM 0 HB3 HIS B 37 87.967 6.199 -16.140 1.00 0.00 H new ATOM 0 HD2 HIS B 37 88.069 4.371 -14.056 1.00 0.00 H new ATOM 0 HE1 HIS B 37 85.891 1.250 -15.874 1.00 0.00 H new ATOM 0 HE2 HIS B 37 86.974 2.009 -13.682 1.00 0.00 H new ATOM 692 N PHE B 38 84.899 4.273 -18.086 1.00 0.00 N ATOM 693 CA PHE B 38 84.189 3.141 -18.693 1.00 0.00 C ATOM 694 C PHE B 38 83.655 3.440 -20.102 1.00 0.00 C ATOM 695 O PHE B 38 83.733 2.587 -20.984 1.00 0.00 O ATOM 696 CB PHE B 38 83.020 2.730 -17.794 1.00 0.00 C ATOM 697 CG PHE B 38 82.464 1.400 -18.255 1.00 0.00 C ATOM 698 CD1 PHE B 38 81.593 1.348 -19.352 1.00 0.00 C ATOM 699 CD2 PHE B 38 82.818 0.222 -17.586 1.00 0.00 C ATOM 700 CE1 PHE B 38 81.079 0.118 -19.778 1.00 0.00 C ATOM 701 CE2 PHE B 38 82.303 -1.008 -18.014 1.00 0.00 C ATOM 702 CZ PHE B 38 81.434 -1.060 -19.110 1.00 0.00 C ATOM 0 H PHE B 38 84.453 4.647 -17.248 1.00 0.00 H new ATOM 0 HA PHE B 38 84.915 2.334 -18.790 1.00 0.00 H new ATOM 0 HB2 PHE B 38 83.353 2.656 -16.759 1.00 0.00 H new ATOM 0 HB3 PHE B 38 82.240 3.491 -17.824 1.00 0.00 H new ATOM 0 HD1 PHE B 38 81.319 2.256 -19.868 1.00 0.00 H new ATOM 0 HD2 PHE B 38 83.488 0.262 -16.740 1.00 0.00 H new ATOM 0 HE1 PHE B 38 80.408 0.078 -20.623 1.00 0.00 H new ATOM 0 HE2 PHE B 38 82.576 -1.917 -17.498 1.00 0.00 H new ATOM 0 HZ PHE B 38 81.037 -2.009 -19.440 1.00 0.00 H new ATOM 712 N ILE B 39 83.088 4.600 -20.304 1.00 0.00 N ATOM 713 CA ILE B 39 82.519 4.926 -21.619 1.00 0.00 C ATOM 714 C ILE B 39 83.600 5.118 -22.685 1.00 0.00 C ATOM 715 O ILE B 39 83.429 4.687 -23.821 1.00 0.00 O ATOM 716 CB ILE B 39 81.634 6.179 -21.538 1.00 0.00 C ATOM 717 CG1 ILE B 39 82.346 7.265 -20.731 1.00 0.00 C ATOM 718 CG2 ILE B 39 80.304 5.830 -20.860 1.00 0.00 C ATOM 719 CD1 ILE B 39 81.672 8.615 -20.985 1.00 0.00 C ATOM 0 H ILE B 39 83.000 5.333 -19.601 1.00 0.00 H new ATOM 0 HA ILE B 39 81.907 4.075 -21.916 1.00 0.00 H new ATOM 0 HB ILE B 39 81.442 6.545 -22.547 1.00 0.00 H new ATOM 0 HG12 ILE B 39 82.312 7.024 -19.668 1.00 0.00 H new ATOM 0 HG13 ILE B 39 83.398 7.313 -21.014 1.00 0.00 H new ATOM 0 HG21 ILE B 39 79.679 6.721 -20.804 1.00 0.00 H new ATOM 0 HG22 ILE B 39 79.791 5.062 -21.439 1.00 0.00 H new ATOM 0 HG23 ILE B 39 80.495 5.458 -19.854 1.00 0.00 H new ATOM 0 HD11 ILE B 39 82.180 9.389 -20.410 1.00 0.00 H new ATOM 0 HD12 ILE B 39 81.729 8.856 -22.047 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.627 8.563 -20.680 1.00 0.00 H new ATOM 731 N ALA B 40 84.685 5.747 -22.338 1.00 0.00 N ATOM 732 CA ALA B 40 85.760 5.959 -23.305 1.00 0.00 C ATOM 733 C ALA B 40 86.463 4.639 -23.620 1.00 0.00 C ATOM 734 O ALA B 40 87.025 4.457 -24.699 1.00 0.00 O ATOM 735 CB ALA B 40 86.773 6.965 -22.752 1.00 0.00 C ATOM 0 H ALA B 40 84.863 6.124 -21.407 1.00 0.00 H new ATOM 0 HA ALA B 40 85.326 6.354 -24.223 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.570 7.116 -23.480 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.274 7.914 -22.558 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.197 6.582 -21.824 1.00 0.00 H new ATOM 741 N TRP B 41 86.445 3.758 -22.664 1.00 0.00 N ATOM 742 CA TRP B 41 87.093 2.455 -22.777 1.00 0.00 C ATOM 743 C TRP B 41 86.687 1.689 -24.030 1.00 0.00 C ATOM 744 O TRP B 41 87.544 1.203 -24.769 1.00 0.00 O ATOM 745 CB TRP B 41 86.686 1.645 -21.551 1.00 0.00 C ATOM 746 CG TRP B 41 87.477 0.386 -21.436 1.00 0.00 C ATOM 747 CD1 TRP B 41 87.489 -0.633 -22.332 1.00 0.00 C ATOM 748 CD2 TRP B 41 88.339 -0.022 -20.342 1.00 0.00 C ATOM 749 NE1 TRP B 41 88.324 -1.624 -21.860 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.865 -1.294 -20.637 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.717 0.591 -19.135 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.729 -1.942 -19.765 1.00 0.00 C ATOM 753 CZ3 TRP B 41 89.586 -0.066 -18.251 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.091 -1.336 -18.571 1.00 0.00 C ATOM 0 H TRP B 41 85.980 3.911 -21.769 1.00 0.00 H new ATOM 0 HA TRP B 41 88.170 2.611 -22.842 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.827 2.247 -20.653 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.625 1.404 -21.610 1.00 0.00 H new ATOM 0 HD1 TRP B 41 86.937 -0.663 -23.260 1.00 0.00 H new ATOM 0 HE1 TRP B 41 88.517 -2.494 -22.356 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.337 1.571 -18.887 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 90.119 -2.917 -20.016 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 89.867 0.407 -17.322 1.00 0.00 H new ATOM 0 HH2 TRP B 41 90.760 -1.840 -17.889 1.00 0.00 H new ATOM 765 N THR B 42 85.413 1.547 -24.248 1.00 0.00 N ATOM 766 CA THR B 42 84.935 0.788 -25.399 1.00 0.00 C ATOM 767 C THR B 42 85.642 1.231 -26.675 1.00 0.00 C ATOM 768 O THR B 42 85.846 0.433 -27.589 1.00 0.00 O ATOM 769 CB THR B 42 83.421 0.974 -25.564 1.00 0.00 C ATOM 770 OG1 THR B 42 83.072 0.819 -26.933 1.00 0.00 O ATOM 771 CG2 THR B 42 83.026 2.372 -25.095 1.00 0.00 C ATOM 0 H THR B 42 84.679 1.938 -23.657 1.00 0.00 H new ATOM 0 HA THR B 42 85.156 -0.265 -25.223 1.00 0.00 H new ATOM 0 HB THR B 42 82.896 0.228 -24.967 1.00 0.00 H new ATOM 0 HG1 THR B 42 82.105 0.936 -27.039 1.00 0.00 H new ATOM 0 HG21 THR B 42 81.950 2.505 -25.212 1.00 0.00 H new ATOM 0 HG22 THR B 42 83.294 2.493 -24.046 1.00 0.00 H new ATOM 0 HG23 THR B 42 83.551 3.118 -25.692 1.00 0.00 H new ATOM 779 N ILE B 43 85.978 2.484 -26.745 1.00 0.00 N ATOM 780 CA ILE B 43 86.627 3.026 -27.932 1.00 0.00 C ATOM 781 C ILE B 43 87.822 2.164 -28.376 1.00 0.00 C ATOM 782 O ILE B 43 88.017 1.944 -29.570 1.00 0.00 O ATOM 783 CB ILE B 43 87.051 4.487 -27.651 1.00 0.00 C ATOM 784 CG1 ILE B 43 86.992 5.319 -28.940 1.00 0.00 C ATOM 785 CG2 ILE B 43 88.474 4.549 -27.080 1.00 0.00 C ATOM 786 CD1 ILE B 43 87.247 6.791 -28.607 1.00 0.00 C ATOM 0 H ILE B 43 85.819 3.162 -26.000 1.00 0.00 H new ATOM 0 HA ILE B 43 85.919 3.012 -28.760 1.00 0.00 H new ATOM 0 HB ILE B 43 86.356 4.896 -26.918 1.00 0.00 H new ATOM 0 HG12 ILE B 43 87.737 4.961 -29.651 1.00 0.00 H new ATOM 0 HG13 ILE B 43 86.017 5.206 -29.415 1.00 0.00 H new ATOM 0 HG21 ILE B 43 88.746 5.588 -26.892 1.00 0.00 H new ATOM 0 HG22 ILE B 43 88.516 3.988 -26.146 1.00 0.00 H new ATOM 0 HG23 ILE B 43 89.172 4.115 -27.796 1.00 0.00 H new ATOM 0 HD11 ILE B 43 87.206 7.383 -29.521 1.00 0.00 H new ATOM 0 HD12 ILE B 43 86.486 7.144 -27.911 1.00 0.00 H new ATOM 0 HD13 ILE B 43 88.232 6.896 -28.151 1.00 0.00 H new ATOM 798 N GLY B 44 88.598 1.681 -27.441 1.00 0.00 N ATOM 799 CA GLY B 44 89.749 0.846 -27.790 1.00 0.00 C ATOM 800 C GLY B 44 89.315 -0.290 -28.711 1.00 0.00 C ATOM 801 O GLY B 44 89.974 -0.595 -29.705 1.00 0.00 O ATOM 0 H GLY B 44 88.469 1.840 -26.442 1.00 0.00 H new ATOM 0 HA2 GLY B 44 90.511 1.451 -28.281 1.00 0.00 H new ATOM 0 HA3 GLY B 44 90.200 0.438 -26.885 1.00 0.00 H new ATOM 805 N HIS B 45 88.259 -0.941 -28.321 1.00 0.00 N ATOM 806 CA HIS B 45 87.740 -2.106 -29.025 1.00 0.00 C ATOM 807 C HIS B 45 87.751 -1.957 -30.545 1.00 0.00 C ATOM 808 O HIS B 45 87.750 -2.963 -31.241 1.00 0.00 O ATOM 809 CB HIS B 45 86.319 -2.394 -28.555 1.00 0.00 C ATOM 810 CG HIS B 45 85.805 -3.631 -29.238 1.00 0.00 C ATOM 811 ND1 HIS B 45 85.476 -3.647 -30.584 1.00 0.00 N ATOM 812 CD2 HIS B 45 85.556 -4.900 -28.776 1.00 0.00 C ATOM 813 CE1 HIS B 45 85.051 -4.887 -30.883 1.00 0.00 C ATOM 814 NE2 HIS B 45 85.080 -5.691 -29.817 1.00 0.00 N ATOM 0 H HIS B 45 87.717 -0.685 -27.496 1.00 0.00 H new ATOM 0 HA HIS B 45 88.406 -2.935 -28.787 1.00 0.00 H new ATOM 0 HB2 HIS B 45 86.303 -2.530 -27.474 1.00 0.00 H new ATOM 0 HB3 HIS B 45 85.672 -1.546 -28.780 1.00 0.00 H new ATOM 0 HD2 HIS B 45 85.707 -5.233 -27.760 1.00 0.00 H new ATOM 0 HE1 HIS B 45 84.726 -5.195 -31.866 1.00 0.00 H new ATOM 0 HE2 HIS B 45 84.811 -6.674 -29.775 1.00 0.00 H new ATOM 823 N LEU B 46 87.772 -0.762 -31.071 1.00 0.00 N ATOM 824 CA LEU B 46 87.803 -0.635 -32.537 1.00 0.00 C ATOM 825 C LEU B 46 88.891 -1.592 -33.081 1.00 0.00 C ATOM 826 O LEU B 46 88.663 -2.379 -34.001 1.00 0.00 O ATOM 827 CB LEU B 46 88.049 0.845 -32.956 1.00 0.00 C ATOM 828 CG LEU B 46 89.509 1.310 -32.679 1.00 0.00 C ATOM 829 CD1 LEU B 46 90.401 1.062 -33.918 1.00 0.00 C ATOM 830 CD2 LEU B 46 89.537 2.817 -32.342 1.00 0.00 C ATOM 0 H LEU B 46 87.769 0.114 -30.549 1.00 0.00 H new ATOM 0 HA LEU B 46 86.842 -0.916 -32.967 1.00 0.00 H new ATOM 0 HB2 LEU B 46 87.830 0.959 -34.018 1.00 0.00 H new ATOM 0 HB3 LEU B 46 87.357 1.492 -32.416 1.00 0.00 H new ATOM 0 HG LEU B 46 89.890 0.736 -31.834 1.00 0.00 H new ATOM 0 HD11 LEU B 46 91.418 1.393 -33.706 1.00 0.00 H new ATOM 0 HD12 LEU B 46 90.407 -0.002 -34.155 1.00 0.00 H new ATOM 0 HD13 LEU B 46 90.007 1.620 -34.767 1.00 0.00 H new ATOM 0 HD21 LEU B 46 90.564 3.128 -32.151 1.00 0.00 H new ATOM 0 HD22 LEU B 46 89.136 3.385 -33.182 1.00 0.00 H new ATOM 0 HD23 LEU B 46 88.931 3.003 -31.456 1.00 0.00 H new ATOM 842 N ASN B 47 90.040 -1.481 -32.492 1.00 0.00 N ATOM 843 CA ASN B 47 91.198 -2.291 -32.864 1.00 0.00 C ATOM 844 C ASN B 47 90.829 -3.782 -32.955 1.00 0.00 C ATOM 845 O ASN B 47 91.220 -4.461 -33.904 1.00 0.00 O ATOM 846 CB ASN B 47 92.306 -2.095 -31.831 1.00 0.00 C ATOM 847 CG ASN B 47 92.719 -0.626 -31.775 1.00 0.00 C ATOM 848 OD1 ASN B 47 93.339 -0.118 -32.710 1.00 0.00 O ATOM 849 ND2 ASN B 47 92.413 0.090 -30.727 1.00 0.00 N ATOM 0 H ASN B 47 90.221 -0.826 -31.731 1.00 0.00 H new ATOM 0 HA ASN B 47 91.544 -1.968 -33.846 1.00 0.00 H new ATOM 0 HB2 ASN B 47 91.961 -2.421 -30.850 1.00 0.00 H new ATOM 0 HB3 ASN B 47 93.166 -2.713 -32.088 1.00 0.00 H new ATOM 0 HD21 ASN B 47 92.687 1.071 -30.682 1.00 0.00 H new ATOM 0 HD22 ASN B 47 91.899 -0.332 -29.953 1.00 0.00 H new ATOM 856 N GLN B 48 90.089 -4.278 -31.993 1.00 0.00 N ATOM 857 CA GLN B 48 89.683 -5.691 -31.992 1.00 0.00 C ATOM 858 C GLN B 48 89.234 -6.153 -33.382 1.00 0.00 C ATOM 859 O GLN B 48 90.060 -6.509 -34.225 1.00 0.00 O ATOM 860 CB GLN B 48 88.529 -5.933 -31.009 1.00 0.00 C ATOM 861 CG GLN B 48 89.020 -5.788 -29.567 1.00 0.00 C ATOM 862 CD GLN B 48 89.753 -7.055 -29.140 1.00 0.00 C ATOM 863 OE1 GLN B 48 89.742 -8.051 -29.862 1.00 0.00 O ATOM 864 NE2 GLN B 48 90.390 -7.078 -28.005 1.00 0.00 N ATOM 0 H GLN B 48 89.749 -3.739 -31.197 1.00 0.00 H new ATOM 0 HA GLN B 48 90.559 -6.263 -31.687 1.00 0.00 H new ATOM 0 HB2 GLN B 48 87.725 -5.222 -31.200 1.00 0.00 H new ATOM 0 HB3 GLN B 48 88.116 -6.930 -31.161 1.00 0.00 H new ATOM 0 HG2 GLN B 48 89.684 -4.928 -29.484 1.00 0.00 H new ATOM 0 HG3 GLN B 48 88.176 -5.604 -28.903 1.00 0.00 H new ATOM 0 HE21 GLN B 48 90.398 -6.251 -27.408 1.00 0.00 H new ATOM 0 HE22 GLN B 48 90.881 -7.923 -27.713 1.00 0.00 H new ATOM 873 N ILE B 49 87.935 -6.169 -33.586 1.00 0.00 N ATOM 874 CA ILE B 49 87.342 -6.618 -34.852 1.00 0.00 C ATOM 875 C ILE B 49 88.234 -6.297 -36.048 1.00 0.00 C ATOM 876 O ILE B 49 88.697 -7.206 -36.736 1.00 0.00 O ATOM 877 CB ILE B 49 85.953 -5.987 -35.037 1.00 0.00 C ATOM 878 CG1 ILE B 49 85.379 -6.417 -36.393 1.00 0.00 C ATOM 879 CG2 ILE B 49 86.042 -4.453 -34.972 1.00 0.00 C ATOM 880 CD1 ILE B 49 83.896 -6.047 -36.461 1.00 0.00 C ATOM 0 H ILE B 49 87.251 -5.874 -32.889 1.00 0.00 H new ATOM 0 HA ILE B 49 87.243 -7.702 -34.803 1.00 0.00 H new ATOM 0 HB ILE B 49 85.299 -6.328 -34.234 1.00 0.00 H new ATOM 0 HG12 ILE B 49 85.924 -5.929 -37.201 1.00 0.00 H new ATOM 0 HG13 ILE B 49 85.503 -7.491 -36.528 1.00 0.00 H new ATOM 0 HG21 ILE B 49 85.048 -4.025 -35.105 1.00 0.00 H new ATOM 0 HG22 ILE B 49 86.440 -4.152 -34.003 1.00 0.00 H new ATOM 0 HG23 ILE B 49 86.701 -4.093 -35.762 1.00 0.00 H new ATOM 0 HD11 ILE B 49 83.489 -6.353 -37.425 1.00 0.00 H new ATOM 0 HD12 ILE B 49 83.357 -6.555 -35.661 1.00 0.00 H new ATOM 0 HD13 ILE B 49 83.784 -4.969 -36.345 1.00 0.00 H new ATOM 892 N LYS B 50 88.465 -5.035 -36.296 1.00 0.00 N ATOM 893 CA LYS B 50 89.305 -4.628 -37.421 1.00 0.00 C ATOM 894 C LYS B 50 90.529 -5.536 -37.541 1.00 0.00 C ATOM 895 O LYS B 50 90.863 -6.003 -38.629 1.00 0.00 O ATOM 896 CB LYS B 50 89.759 -3.176 -37.228 1.00 0.00 C ATOM 897 CG LYS B 50 88.593 -2.210 -37.526 1.00 0.00 C ATOM 898 CD LYS B 50 88.522 -1.898 -39.040 1.00 0.00 C ATOM 899 CE LYS B 50 89.339 -0.639 -39.361 1.00 0.00 C ATOM 900 NZ LYS B 50 90.771 -0.869 -39.019 1.00 0.00 N ATOM 0 H LYS B 50 88.090 -4.264 -35.743 1.00 0.00 H new ATOM 0 HA LYS B 50 88.720 -4.711 -38.337 1.00 0.00 H new ATOM 0 HB2 LYS B 50 90.110 -3.030 -36.207 1.00 0.00 H new ATOM 0 HB3 LYS B 50 90.599 -2.959 -37.888 1.00 0.00 H new ATOM 0 HG2 LYS B 50 87.653 -2.652 -37.195 1.00 0.00 H new ATOM 0 HG3 LYS B 50 88.726 -1.286 -36.964 1.00 0.00 H new ATOM 0 HD2 LYS B 50 88.904 -2.744 -39.611 1.00 0.00 H new ATOM 0 HD3 LYS B 50 87.484 -1.753 -39.341 1.00 0.00 H new ATOM 0 HE2 LYS B 50 89.243 -0.391 -40.418 1.00 0.00 H new ATOM 0 HE3 LYS B 50 88.952 0.210 -38.798 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 91.349 -0.095 -39.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 90.880 -0.900 -37.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 91.085 -1.772 -39.428 1.00 0.00 H new ATOM 914 N ARG B 51 91.176 -5.783 -36.431 1.00 0.00 N ATOM 915 CA ARG B 51 92.358 -6.645 -36.410 1.00 0.00 C ATOM 916 C ARG B 51 91.956 -8.091 -36.140 1.00 0.00 C ATOM 917 O ARG B 51 92.641 -8.812 -35.416 1.00 0.00 O ATOM 918 CB ARG B 51 93.330 -6.177 -35.325 1.00 0.00 C ATOM 919 CG ARG B 51 93.897 -4.807 -35.707 1.00 0.00 C ATOM 920 CD ARG B 51 94.903 -4.357 -34.646 1.00 0.00 C ATOM 921 NE ARG B 51 95.458 -3.055 -34.999 1.00 0.00 N ATOM 922 CZ ARG B 51 96.298 -2.927 -35.990 1.00 0.00 C ATOM 923 NH1 ARG B 51 96.642 -3.971 -36.693 1.00 0.00 N ATOM 924 NH2 ARG B 51 96.791 -1.754 -36.281 1.00 0.00 N ATOM 0 H ARG B 51 90.913 -5.404 -35.521 1.00 0.00 H new ATOM 0 HA ARG B 51 92.845 -6.586 -37.383 1.00 0.00 H new ATOM 0 HB2 ARG B 51 92.818 -6.116 -34.365 1.00 0.00 H new ATOM 0 HB3 ARG B 51 94.139 -6.898 -35.210 1.00 0.00 H new ATOM 0 HG2 ARG B 51 94.381 -4.861 -36.682 1.00 0.00 H new ATOM 0 HG3 ARG B 51 93.091 -4.078 -35.791 1.00 0.00 H new ATOM 0 HD2 ARG B 51 94.416 -4.301 -33.673 1.00 0.00 H new ATOM 0 HD3 ARG B 51 95.704 -5.091 -34.560 1.00 0.00 H new ATOM 0 HE ARG B 51 95.185 -2.231 -34.463 1.00 0.00 H new ATOM 0 HH11 ARG B 51 96.255 -4.887 -36.468 1.00 0.00 H new ATOM 0 HH12 ARG B 51 97.298 -3.871 -37.467 1.00 0.00 H new ATOM 0 HH21 ARG B 51 96.520 -0.937 -35.734 1.00 0.00 H new ATOM 0 HH22 ARG B 51 97.447 -1.654 -37.055 1.00 0.00 H new ATOM 938 N GLY B 52 90.859 -8.500 -36.718 1.00 0.00 N ATOM 939 CA GLY B 52 90.372 -9.862 -36.536 1.00 0.00 C ATOM 940 C GLY B 52 89.086 -10.090 -37.323 1.00 0.00 C ATOM 0 H GLY B 52 90.278 -7.918 -37.321 1.00 0.00 H new ATOM 0 HA2 GLY B 52 91.133 -10.571 -36.862 1.00 0.00 H new ATOM 0 HA3 GLY B 52 90.193 -10.050 -35.477 1.00 0.00 H new ATOM 945 N SER C 23 95.106 9.781 10.278 1.00 0.00 N ATOM 946 CA SER C 23 94.308 10.793 9.529 1.00 0.00 C ATOM 947 C SER C 23 93.835 10.189 8.211 1.00 0.00 C ATOM 948 O SER C 23 93.819 10.861 7.180 1.00 0.00 O ATOM 949 CB SER C 23 95.177 12.021 9.257 1.00 0.00 C ATOM 950 OG SER C 23 94.400 13.007 8.588 1.00 0.00 O ATOM 0 HA SER C 23 93.441 11.090 10.119 1.00 0.00 H new ATOM 0 HB2 SER C 23 95.565 12.421 10.194 1.00 0.00 H new ATOM 0 HB3 SER C 23 96.037 11.744 8.648 1.00 0.00 H new ATOM 0 HG SER C 23 93.978 12.610 7.797 1.00 0.00 H new ATOM 955 N ASP C 24 93.455 8.937 8.252 1.00 0.00 N ATOM 956 CA ASP C 24 92.976 8.243 7.064 1.00 0.00 C ATOM 957 C ASP C 24 93.822 8.598 5.850 1.00 0.00 C ATOM 958 O ASP C 24 93.298 9.029 4.823 1.00 0.00 O ATOM 959 CB ASP C 24 91.514 8.605 6.795 1.00 0.00 C ATOM 960 CG ASP C 24 91.344 10.120 6.771 1.00 0.00 C ATOM 961 OD1 ASP C 24 91.162 10.694 7.831 1.00 0.00 O ATOM 962 OD2 ASP C 24 91.397 10.686 5.691 1.00 0.00 O ATOM 0 H ASP C 24 93.465 8.367 9.098 1.00 0.00 H new ATOM 0 HA ASP C 24 93.056 7.171 7.243 1.00 0.00 H new ATOM 0 HB2 ASP C 24 91.196 8.181 5.843 1.00 0.00 H new ATOM 0 HB3 ASP C 24 90.877 8.172 7.566 1.00 0.00 H new ATOM 967 N PRO C 25 95.112 8.418 5.942 1.00 0.00 N ATOM 968 CA PRO C 25 96.031 8.721 4.814 1.00 0.00 C ATOM 969 C PRO C 25 95.754 7.778 3.651 1.00 0.00 C ATOM 970 O PRO C 25 96.089 8.064 2.502 1.00 0.00 O ATOM 971 CB PRO C 25 97.435 8.506 5.409 1.00 0.00 C ATOM 972 CG PRO C 25 97.229 7.589 6.575 1.00 0.00 C ATOM 973 CD PRO C 25 95.832 7.899 7.118 1.00 0.00 C ATOM 0 HA PRO C 25 95.914 9.729 4.415 1.00 0.00 H new ATOM 0 HB2 PRO C 25 98.111 8.066 4.676 1.00 0.00 H new ATOM 0 HB3 PRO C 25 97.878 9.451 5.724 1.00 0.00 H new ATOM 0 HG2 PRO C 25 97.305 6.546 6.268 1.00 0.00 H new ATOM 0 HG3 PRO C 25 97.989 7.753 7.339 1.00 0.00 H new ATOM 0 HD2 PRO C 25 95.351 7.008 7.521 1.00 0.00 H new ATOM 0 HD3 PRO C 25 95.868 8.633 7.923 1.00 0.00 H new ATOM 981 N LEU C 26 95.155 6.663 3.970 1.00 0.00 N ATOM 982 CA LEU C 26 94.833 5.653 2.964 1.00 0.00 C ATOM 983 C LEU C 26 93.857 6.202 1.917 1.00 0.00 C ATOM 984 O LEU C 26 93.977 5.901 0.729 1.00 0.00 O ATOM 985 CB LEU C 26 94.208 4.424 3.649 1.00 0.00 C ATOM 986 CG LEU C 26 95.303 3.535 4.250 1.00 0.00 C ATOM 987 CD1 LEU C 26 96.196 4.369 5.171 1.00 0.00 C ATOM 988 CD2 LEU C 26 94.652 2.408 5.056 1.00 0.00 C ATOM 0 H LEU C 26 94.874 6.418 4.919 1.00 0.00 H new ATOM 0 HA LEU C 26 95.757 5.371 2.458 1.00 0.00 H new ATOM 0 HB2 LEU C 26 93.521 4.746 4.432 1.00 0.00 H new ATOM 0 HB3 LEU C 26 93.624 3.854 2.926 1.00 0.00 H new ATOM 0 HG LEU C 26 95.908 3.112 3.448 1.00 0.00 H new ATOM 0 HD11 LEU C 26 96.973 3.734 5.597 1.00 0.00 H new ATOM 0 HD12 LEU C 26 96.658 5.174 4.599 1.00 0.00 H new ATOM 0 HD13 LEU C 26 95.594 4.794 5.974 1.00 0.00 H new ATOM 0 HD21 LEU C 26 95.427 1.773 5.485 1.00 0.00 H new ATOM 0 HD22 LEU C 26 94.048 2.835 5.857 1.00 0.00 H new ATOM 0 HD23 LEU C 26 94.017 1.812 4.401 1.00 0.00 H new ATOM 1000 N VAL C 27 92.895 6.965 2.359 1.00 0.00 N ATOM 1001 CA VAL C 27 91.886 7.521 1.456 1.00 0.00 C ATOM 1002 C VAL C 27 92.454 8.592 0.528 1.00 0.00 C ATOM 1003 O VAL C 27 92.231 8.561 -0.681 1.00 0.00 O ATOM 1004 CB VAL C 27 90.757 8.156 2.282 1.00 0.00 C ATOM 1005 CG1 VAL C 27 89.744 8.831 1.350 1.00 0.00 C ATOM 1006 CG2 VAL C 27 90.046 7.084 3.109 1.00 0.00 C ATOM 0 H VAL C 27 92.776 7.225 3.338 1.00 0.00 H new ATOM 0 HA VAL C 27 91.520 6.697 0.843 1.00 0.00 H new ATOM 0 HB VAL C 27 91.189 8.901 2.950 1.00 0.00 H new ATOM 0 HG11 VAL C 27 88.946 9.279 1.943 1.00 0.00 H new ATOM 0 HG12 VAL C 27 90.244 9.606 0.770 1.00 0.00 H new ATOM 0 HG13 VAL C 27 89.320 8.088 0.674 1.00 0.00 H new ATOM 0 HG21 VAL C 27 89.247 7.544 3.691 1.00 0.00 H new ATOM 0 HG22 VAL C 27 89.623 6.332 2.443 1.00 0.00 H new ATOM 0 HG23 VAL C 27 90.760 6.611 3.783 1.00 0.00 H new ATOM 1016 N VAL C 28 93.150 9.532 1.096 1.00 0.00 N ATOM 1017 CA VAL C 28 93.714 10.626 0.314 1.00 0.00 C ATOM 1018 C VAL C 28 94.902 10.187 -0.540 1.00 0.00 C ATOM 1019 O VAL C 28 95.164 10.781 -1.586 1.00 0.00 O ATOM 1020 CB VAL C 28 94.109 11.792 1.237 1.00 0.00 C ATOM 1021 CG1 VAL C 28 95.465 11.514 1.895 1.00 0.00 C ATOM 1022 CG2 VAL C 28 94.192 13.091 0.420 1.00 0.00 C ATOM 0 H VAL C 28 93.348 9.576 2.096 1.00 0.00 H new ATOM 0 HA VAL C 28 92.939 10.961 -0.376 1.00 0.00 H new ATOM 0 HB VAL C 28 93.353 11.896 2.015 1.00 0.00 H new ATOM 0 HG11 VAL C 28 95.732 12.347 2.545 1.00 0.00 H new ATOM 0 HG12 VAL C 28 95.403 10.599 2.485 1.00 0.00 H new ATOM 0 HG13 VAL C 28 96.227 11.397 1.124 1.00 0.00 H new ATOM 0 HG21 VAL C 28 94.472 13.916 1.075 1.00 0.00 H new ATOM 0 HG22 VAL C 28 94.941 12.980 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL C 28 93.222 13.299 -0.032 1.00 0.00 H new ATOM 1032 N ALA C 29 95.633 9.198 -0.096 1.00 0.00 N ATOM 1033 CA ALA C 29 96.809 8.762 -0.841 1.00 0.00 C ATOM 1034 C ALA C 29 96.456 8.058 -2.147 1.00 0.00 C ATOM 1035 O ALA C 29 96.988 8.413 -3.195 1.00 0.00 O ATOM 1036 CB ALA C 29 97.652 7.826 0.026 1.00 0.00 C ATOM 0 H ALA C 29 95.448 8.679 0.763 1.00 0.00 H new ATOM 0 HA ALA C 29 97.372 9.659 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.529 7.503 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.970 8.352 0.926 1.00 0.00 H new ATOM 0 HB3 ALA C 29 97.058 6.955 0.305 1.00 0.00 H new ATOM 1042 N ALA C 30 95.604 7.068 -2.102 1.00 0.00 N ATOM 1043 CA ALA C 30 95.260 6.353 -3.317 1.00 0.00 C ATOM 1044 C ALA C 30 94.417 7.234 -4.233 1.00 0.00 C ATOM 1045 O ALA C 30 94.448 7.096 -5.455 1.00 0.00 O ATOM 1046 CB ALA C 30 94.519 5.075 -2.951 1.00 0.00 C ATOM 0 H ALA C 30 95.139 6.737 -1.257 1.00 0.00 H new ATOM 0 HA ALA C 30 96.170 6.092 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA C 30 94.258 4.533 -3.860 1.00 0.00 H new ATOM 0 HB2 ALA C 30 95.158 4.450 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA C 30 93.610 5.325 -2.404 1.00 0.00 H new ATOM 1052 N SER C 31 93.679 8.120 -3.631 1.00 0.00 N ATOM 1053 CA SER C 31 92.822 9.026 -4.379 1.00 0.00 C ATOM 1054 C SER C 31 93.593 9.708 -5.513 1.00 0.00 C ATOM 1055 O SER C 31 93.130 9.733 -6.654 1.00 0.00 O ATOM 1056 CB SER C 31 92.257 10.084 -3.436 1.00 0.00 C ATOM 1057 OG SER C 31 91.487 11.017 -4.182 1.00 0.00 O ATOM 0 H SER C 31 93.645 8.244 -2.619 1.00 0.00 H new ATOM 0 HA SER C 31 92.010 8.447 -4.819 1.00 0.00 H new ATOM 0 HB2 SER C 31 91.638 9.613 -2.672 1.00 0.00 H new ATOM 0 HB3 SER C 31 93.068 10.596 -2.918 1.00 0.00 H new ATOM 0 HG SER C 31 90.770 11.375 -3.618 1.00 0.00 H new ATOM 1063 N ILE C 32 94.725 10.283 -5.198 1.00 0.00 N ATOM 1064 CA ILE C 32 95.511 10.996 -6.208 1.00 0.00 C ATOM 1065 C ILE C 32 95.699 10.166 -7.482 1.00 0.00 C ATOM 1066 O ILE C 32 95.793 10.720 -8.577 1.00 0.00 O ATOM 1067 CB ILE C 32 96.884 11.384 -5.630 1.00 0.00 C ATOM 1068 CG1 ILE C 32 97.537 12.471 -6.516 1.00 0.00 C ATOM 1069 CG2 ILE C 32 97.799 10.146 -5.576 1.00 0.00 C ATOM 1070 CD1 ILE C 32 96.983 13.862 -6.168 1.00 0.00 C ATOM 0 H ILE C 32 95.132 10.280 -4.263 1.00 0.00 H new ATOM 0 HA ILE C 32 94.957 11.895 -6.478 1.00 0.00 H new ATOM 0 HB ILE C 32 96.747 11.774 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE C 32 98.618 12.460 -6.377 1.00 0.00 H new ATOM 0 HG13 ILE C 32 97.349 12.252 -7.567 1.00 0.00 H new ATOM 0 HG21 ILE C 32 98.769 10.428 -5.166 1.00 0.00 H new ATOM 0 HG22 ILE C 32 97.344 9.385 -4.942 1.00 0.00 H new ATOM 0 HG23 ILE C 32 97.932 9.748 -6.582 1.00 0.00 H new ATOM 0 HD11 ILE C 32 97.456 14.611 -6.803 1.00 0.00 H new ATOM 0 HD12 ILE C 32 95.905 13.876 -6.331 1.00 0.00 H new ATOM 0 HD13 ILE C 32 97.194 14.087 -5.123 1.00 0.00 H new ATOM 1082 N ILE C 33 95.752 8.869 -7.350 1.00 0.00 N ATOM 1083 CA ILE C 33 95.927 8.007 -8.519 1.00 0.00 C ATOM 1084 C ILE C 33 94.753 8.182 -9.483 1.00 0.00 C ATOM 1085 O ILE C 33 94.923 8.206 -10.701 1.00 0.00 O ATOM 1086 CB ILE C 33 96.009 6.541 -8.082 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.118 6.374 -7.039 1.00 0.00 C ATOM 1088 CG2 ILE C 33 96.320 5.662 -9.296 1.00 0.00 C ATOM 1089 CD1 ILE C 33 97.048 4.966 -6.441 1.00 0.00 C ATOM 0 H ILE C 33 95.679 8.376 -6.460 1.00 0.00 H new ATOM 0 HA ILE C 33 96.852 8.288 -9.023 1.00 0.00 H new ATOM 0 HB ILE C 33 95.055 6.242 -7.648 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.092 6.537 -7.499 1.00 0.00 H new ATOM 0 HG13 ILE C 33 97.008 7.121 -6.253 1.00 0.00 H new ATOM 0 HG21 ILE C 33 96.378 4.619 -8.985 1.00 0.00 H new ATOM 0 HG22 ILE C 33 95.531 5.775 -10.039 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.273 5.965 -9.730 1.00 0.00 H new ATOM 0 HD11 ILE C 33 97.837 4.846 -5.699 1.00 0.00 H new ATOM 0 HD12 ILE C 33 96.078 4.820 -5.966 1.00 0.00 H new ATOM 0 HD13 ILE C 33 97.179 4.228 -7.232 1.00 0.00 H new ATOM 1101 N GLY C 34 93.579 8.245 -8.928 1.00 0.00 N ATOM 1102 CA GLY C 34 92.363 8.355 -9.729 1.00 0.00 C ATOM 1103 C GLY C 34 92.488 9.417 -10.824 1.00 0.00 C ATOM 1104 O GLY C 34 92.204 9.140 -11.987 1.00 0.00 O ATOM 0 H GLY C 34 93.422 8.223 -7.920 1.00 0.00 H new ATOM 0 HA2 GLY C 34 92.141 7.390 -10.184 1.00 0.00 H new ATOM 0 HA3 GLY C 34 91.523 8.602 -9.080 1.00 0.00 H new ATOM 1108 N ILE C 35 92.902 10.600 -10.476 1.00 0.00 N ATOM 1109 CA ILE C 35 93.046 11.659 -11.475 1.00 0.00 C ATOM 1110 C ILE C 35 94.235 11.388 -12.403 1.00 0.00 C ATOM 1111 O ILE C 35 94.243 11.816 -13.557 1.00 0.00 O ATOM 1112 CB ILE C 35 93.214 13.021 -10.794 1.00 0.00 C ATOM 1113 CG1 ILE C 35 94.412 12.988 -9.841 1.00 0.00 C ATOM 1114 CG2 ILE C 35 91.949 13.349 -10.000 1.00 0.00 C ATOM 1115 CD1 ILE C 35 94.713 14.404 -9.342 1.00 0.00 C ATOM 0 H ILE C 35 93.147 10.870 -9.524 1.00 0.00 H new ATOM 0 HA ILE C 35 92.138 11.672 -12.077 1.00 0.00 H new ATOM 0 HB ILE C 35 93.383 13.782 -11.556 1.00 0.00 H new ATOM 0 HG12 ILE C 35 94.200 12.332 -8.997 1.00 0.00 H new ATOM 0 HG13 ILE C 35 95.284 12.579 -10.351 1.00 0.00 H new ATOM 0 HG21 ILE C 35 92.065 14.318 -9.514 1.00 0.00 H new ATOM 0 HG22 ILE C 35 91.094 13.382 -10.675 1.00 0.00 H new ATOM 0 HG23 ILE C 35 91.785 12.581 -9.244 1.00 0.00 H new ATOM 0 HD11 ILE C 35 95.566 14.377 -8.664 1.00 0.00 H new ATOM 0 HD12 ILE C 35 94.944 15.047 -10.191 1.00 0.00 H new ATOM 0 HD13 ILE C 35 93.843 14.797 -8.815 1.00 0.00 H new ATOM 1127 N LEU C 36 95.225 10.709 -11.890 1.00 0.00 N ATOM 1128 CA LEU C 36 96.430 10.408 -12.664 1.00 0.00 C ATOM 1129 C LEU C 36 96.122 9.587 -13.917 1.00 0.00 C ATOM 1130 O LEU C 36 96.783 9.750 -14.942 1.00 0.00 O ATOM 1131 CB LEU C 36 97.424 9.636 -11.786 1.00 0.00 C ATOM 1132 CG LEU C 36 98.789 9.509 -12.490 1.00 0.00 C ATOM 1133 CD1 LEU C 36 99.546 10.848 -12.452 1.00 0.00 C ATOM 1134 CD2 LEU C 36 99.621 8.431 -11.779 1.00 0.00 C ATOM 0 H LEU C 36 95.234 10.346 -10.937 1.00 0.00 H new ATOM 0 HA LEU C 36 96.859 11.357 -12.985 1.00 0.00 H new ATOM 0 HB2 LEU C 36 97.548 10.148 -10.832 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.029 8.644 -11.567 1.00 0.00 H new ATOM 0 HG LEU C 36 98.626 9.232 -13.532 1.00 0.00 H new ATOM 0 HD11 LEU C 36 100.507 10.737 -12.954 1.00 0.00 H new ATOM 0 HD12 LEU C 36 98.958 11.613 -12.959 1.00 0.00 H new ATOM 0 HD13 LEU C 36 99.710 11.144 -11.416 1.00 0.00 H new ATOM 0 HD21 LEU C 36 100.589 8.335 -12.271 1.00 0.00 H new ATOM 0 HD22 LEU C 36 99.770 8.715 -10.737 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.095 7.477 -11.823 1.00 0.00 H new ATOM 1146 N HIS C 37 95.165 8.706 -13.837 1.00 0.00 N ATOM 1147 CA HIS C 37 94.833 7.870 -14.989 1.00 0.00 C ATOM 1148 C HIS C 37 94.157 8.679 -16.097 1.00 0.00 C ATOM 1149 O HIS C 37 94.331 8.382 -17.279 1.00 0.00 O ATOM 1150 CB HIS C 37 93.946 6.686 -14.568 1.00 0.00 C ATOM 1151 CG HIS C 37 92.522 7.122 -14.343 1.00 0.00 C ATOM 1152 ND1 HIS C 37 91.793 7.824 -15.293 1.00 0.00 N ATOM 1153 CD2 HIS C 37 91.670 6.938 -13.282 1.00 0.00 C ATOM 1154 CE1 HIS C 37 90.563 8.031 -14.789 1.00 0.00 C ATOM 1155 NE2 HIS C 37 90.436 7.512 -13.565 1.00 0.00 N ATOM 0 H HIS C 37 94.600 8.538 -13.005 1.00 0.00 H new ATOM 0 HA HIS C 37 95.769 7.478 -15.388 1.00 0.00 H new ATOM 0 HB2 HIS C 37 93.975 5.915 -15.338 1.00 0.00 H new ATOM 0 HB3 HIS C 37 94.341 6.240 -13.655 1.00 0.00 H new ATOM 0 HD2 HIS C 37 91.921 6.425 -12.366 1.00 0.00 H new ATOM 0 HE1 HIS C 37 89.774 8.553 -15.311 1.00 0.00 H new ATOM 0 HE2 HIS C 37 89.611 7.532 -12.966 1.00 0.00 H new ATOM 1164 N PHE C 38 93.391 9.671 -15.723 1.00 0.00 N ATOM 1165 CA PHE C 38 92.695 10.486 -16.717 1.00 0.00 C ATOM 1166 C PHE C 38 93.681 11.245 -17.606 1.00 0.00 C ATOM 1167 O PHE C 38 93.542 11.247 -18.828 1.00 0.00 O ATOM 1168 CB PHE C 38 91.747 11.480 -16.042 1.00 0.00 C ATOM 1169 CG PHE C 38 90.962 12.209 -17.110 1.00 0.00 C ATOM 1170 CD1 PHE C 38 91.534 13.304 -17.769 1.00 0.00 C ATOM 1171 CD2 PHE C 38 89.669 11.784 -17.452 1.00 0.00 C ATOM 1172 CE1 PHE C 38 90.818 13.974 -18.767 1.00 0.00 C ATOM 1173 CE2 PHE C 38 88.953 12.457 -18.449 1.00 0.00 C ATOM 1174 CZ PHE C 38 89.528 13.551 -19.107 1.00 0.00 C ATOM 0 H PHE C 38 93.227 9.941 -14.753 1.00 0.00 H new ATOM 0 HA PHE C 38 92.115 9.806 -17.341 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.070 10.957 -15.367 1.00 0.00 H new ATOM 0 HB3 PHE C 38 92.312 12.190 -15.439 1.00 0.00 H new ATOM 0 HD1 PHE C 38 92.529 13.632 -17.507 1.00 0.00 H new ATOM 0 HD2 PHE C 38 89.227 10.938 -16.946 1.00 0.00 H new ATOM 0 HE1 PHE C 38 91.261 14.818 -19.275 1.00 0.00 H new ATOM 0 HE2 PHE C 38 87.957 12.132 -18.711 1.00 0.00 H new ATOM 0 HZ PHE C 38 88.976 14.069 -19.877 1.00 0.00 H new ATOM 1184 N ILE C 39 94.651 11.887 -17.008 1.00 0.00 N ATOM 1185 CA ILE C 39 95.626 12.645 -17.788 1.00 0.00 C ATOM 1186 C ILE C 39 96.457 11.714 -18.663 1.00 0.00 C ATOM 1187 O ILE C 39 96.871 12.087 -19.754 1.00 0.00 O ATOM 1188 CB ILE C 39 96.544 13.459 -16.865 1.00 0.00 C ATOM 1189 CG1 ILE C 39 97.615 14.197 -17.691 1.00 0.00 C ATOM 1190 CG2 ILE C 39 97.238 12.525 -15.874 1.00 0.00 C ATOM 1191 CD1 ILE C 39 96.958 15.054 -18.781 1.00 0.00 C ATOM 0 H ILE C 39 94.796 11.908 -15.999 1.00 0.00 H new ATOM 0 HA ILE C 39 95.080 13.334 -18.432 1.00 0.00 H new ATOM 0 HB ILE C 39 95.937 14.188 -16.327 1.00 0.00 H new ATOM 0 HG12 ILE C 39 98.216 14.829 -17.037 1.00 0.00 H new ATOM 0 HG13 ILE C 39 98.292 13.475 -18.147 1.00 0.00 H new ATOM 0 HG21 ILE C 39 97.889 13.106 -15.221 1.00 0.00 H new ATOM 0 HG22 ILE C 39 96.488 12.009 -15.274 1.00 0.00 H new ATOM 0 HG23 ILE C 39 97.833 11.792 -16.420 1.00 0.00 H new ATOM 0 HD11 ILE C 39 97.730 15.568 -19.354 1.00 0.00 H new ATOM 0 HD12 ILE C 39 96.377 14.415 -19.446 1.00 0.00 H new ATOM 0 HD13 ILE C 39 96.300 15.789 -18.318 1.00 0.00 H new ATOM 1203 N ALA C 40 96.691 10.523 -18.194 1.00 0.00 N ATOM 1204 CA ALA C 40 97.458 9.563 -18.971 1.00 0.00 C ATOM 1205 C ALA C 40 96.633 9.057 -20.152 1.00 0.00 C ATOM 1206 O ALA C 40 97.167 8.736 -21.208 1.00 0.00 O ATOM 1207 CB ALA C 40 97.876 8.383 -18.090 1.00 0.00 C ATOM 0 H ALA C 40 96.370 10.185 -17.287 1.00 0.00 H new ATOM 0 HA ALA C 40 98.351 10.060 -19.349 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.450 7.671 -18.683 1.00 0.00 H new ATOM 0 HB2 ALA C 40 98.489 8.745 -17.264 1.00 0.00 H new ATOM 0 HB3 ALA C 40 96.987 7.892 -17.694 1.00 0.00 H new ATOM 1213 N TRP C 41 95.348 8.958 -19.943 1.00 0.00 N ATOM 1214 CA TRP C 41 94.426 8.450 -20.957 1.00 0.00 C ATOM 1215 C TRP C 41 94.603 9.140 -22.307 1.00 0.00 C ATOM 1216 O TRP C 41 94.734 8.480 -23.339 1.00 0.00 O ATOM 1217 CB TRP C 41 93.005 8.671 -20.449 1.00 0.00 C ATOM 1218 CG TRP C 41 92.026 7.956 -21.315 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.714 8.298 -22.583 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.217 6.793 -20.989 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.759 7.414 -23.060 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.420 6.468 -22.110 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.101 5.999 -19.837 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.533 5.388 -22.085 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.213 4.915 -19.808 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.431 4.610 -20.928 1.00 0.00 C ATOM 0 H TRP C 41 94.897 9.224 -19.068 1.00 0.00 H new ATOM 0 HA TRP C 41 94.633 7.392 -21.117 1.00 0.00 H new ATOM 0 HB2 TRP C 41 92.920 8.315 -19.422 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.778 9.737 -20.437 1.00 0.00 H new ATOM 0 HD1 TRP C 41 92.138 9.124 -23.135 1.00 0.00 H new ATOM 0 HE1 TRP C 41 90.356 7.456 -23.996 1.00 0.00 H new ATOM 0 HE3 TRP C 41 91.700 6.225 -18.967 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.932 5.157 -22.952 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.132 4.311 -18.916 1.00 0.00 H new ATOM 0 HH2 TRP C 41 88.749 3.773 -20.898 1.00 0.00 H new ATOM 1237 N THR C 42 94.591 10.440 -22.298 1.00 0.00 N ATOM 1238 CA THR C 42 94.736 11.210 -23.527 1.00 0.00 C ATOM 1239 C THR C 42 95.961 10.778 -24.337 1.00 0.00 C ATOM 1240 O THR C 42 95.990 10.956 -25.556 1.00 0.00 O ATOM 1241 CB THR C 42 94.815 12.711 -23.220 1.00 0.00 C ATOM 1242 OG1 THR C 42 95.420 13.385 -24.315 1.00 0.00 O ATOM 1243 CG2 THR C 42 95.643 12.930 -21.961 1.00 0.00 C ATOM 0 H THR C 42 94.482 11.004 -21.455 1.00 0.00 H new ATOM 0 HA THR C 42 93.851 11.012 -24.132 1.00 0.00 H new ATOM 0 HB THR C 42 93.811 13.105 -23.063 1.00 0.00 H new ATOM 0 HG1 THR C 42 95.470 14.344 -24.121 1.00 0.00 H new ATOM 0 HG21 THR C 42 95.699 13.997 -21.743 1.00 0.00 H new ATOM 0 HG22 THR C 42 95.175 12.413 -21.123 1.00 0.00 H new ATOM 0 HG23 THR C 42 96.648 12.538 -22.114 1.00 0.00 H new ATOM 1251 N ILE C 43 96.964 10.236 -23.685 1.00 0.00 N ATOM 1252 CA ILE C 43 98.184 9.813 -24.380 1.00 0.00 C ATOM 1253 C ILE C 43 97.923 8.590 -25.282 1.00 0.00 C ATOM 1254 O ILE C 43 98.426 8.523 -26.401 1.00 0.00 O ATOM 1255 CB ILE C 43 99.289 9.524 -23.317 1.00 0.00 C ATOM 1256 CG1 ILE C 43 100.655 10.024 -23.808 1.00 0.00 C ATOM 1257 CG2 ILE C 43 99.400 8.023 -22.996 1.00 0.00 C ATOM 1258 CD1 ILE C 43 101.707 9.780 -22.719 1.00 0.00 C ATOM 0 H ILE C 43 96.971 10.073 -22.678 1.00 0.00 H new ATOM 0 HA ILE C 43 98.523 10.611 -25.040 1.00 0.00 H new ATOM 0 HB ILE C 43 98.999 10.055 -22.411 1.00 0.00 H new ATOM 0 HG12 ILE C 43 100.937 9.505 -24.724 1.00 0.00 H new ATOM 0 HG13 ILE C 43 100.602 11.086 -24.047 1.00 0.00 H new ATOM 0 HG21 ILE C 43 100.181 7.867 -22.252 1.00 0.00 H new ATOM 0 HG22 ILE C 43 98.448 7.663 -22.604 1.00 0.00 H new ATOM 0 HG23 ILE C 43 99.649 7.474 -23.904 1.00 0.00 H new ATOM 0 HD11 ILE C 43 102.678 10.134 -23.065 1.00 0.00 H new ATOM 0 HD12 ILE C 43 101.426 10.319 -21.814 1.00 0.00 H new ATOM 0 HD13 ILE C 43 101.766 8.713 -22.503 1.00 0.00 H new ATOM 1270 N GLY C 44 97.153 7.650 -24.791 1.00 0.00 N ATOM 1271 CA GLY C 44 96.827 6.435 -25.552 1.00 0.00 C ATOM 1272 C GLY C 44 95.877 6.735 -26.712 1.00 0.00 C ATOM 1273 O GLY C 44 95.878 6.045 -27.731 1.00 0.00 O ATOM 0 H GLY C 44 96.731 7.690 -23.863 1.00 0.00 H new ATOM 0 HA2 GLY C 44 97.744 5.990 -25.938 1.00 0.00 H new ATOM 0 HA3 GLY C 44 96.371 5.701 -24.888 1.00 0.00 H new ATOM 1277 N HIS C 45 95.083 7.745 -26.533 1.00 0.00 N ATOM 1278 CA HIS C 45 94.110 8.155 -27.541 1.00 0.00 C ATOM 1279 C HIS C 45 94.749 8.382 -28.921 1.00 0.00 C ATOM 1280 O HIS C 45 94.080 8.254 -29.944 1.00 0.00 O ATOM 1281 CB HIS C 45 93.414 9.435 -27.094 1.00 0.00 C ATOM 1282 CG HIS C 45 92.330 9.765 -28.077 1.00 0.00 C ATOM 1283 ND1 HIS C 45 92.461 10.774 -29.019 1.00 0.00 N ATOM 1284 CD2 HIS C 45 91.092 9.213 -28.288 1.00 0.00 C ATOM 1285 CE1 HIS C 45 91.331 10.797 -29.748 1.00 0.00 C ATOM 1286 NE2 HIS C 45 90.463 9.866 -29.343 1.00 0.00 N ATOM 0 H HIS C 45 95.078 8.319 -25.690 1.00 0.00 H new ATOM 0 HA HIS C 45 93.391 7.342 -27.640 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.993 9.307 -26.097 1.00 0.00 H new ATOM 0 HB3 HIS C 45 94.131 10.254 -27.034 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.670 8.396 -27.721 1.00 0.00 H new ATOM 0 HE1 HIS C 45 91.148 11.484 -30.561 1.00 0.00 H new ATOM 0 HE2 HIS C 45 89.537 9.675 -29.726 1.00 0.00 H new ATOM 1295 N LEU C 46 96.000 8.755 -28.945 1.00 0.00 N ATOM 1296 CA LEU C 46 96.683 9.051 -30.209 1.00 0.00 C ATOM 1297 C LEU C 46 96.455 7.993 -31.291 1.00 0.00 C ATOM 1298 O LEU C 46 96.400 8.337 -32.470 1.00 0.00 O ATOM 1299 CB LEU C 46 98.200 9.321 -29.992 1.00 0.00 C ATOM 1300 CG LEU C 46 99.087 8.049 -29.753 1.00 0.00 C ATOM 1301 CD1 LEU C 46 98.411 7.019 -28.835 1.00 0.00 C ATOM 1302 CD2 LEU C 46 99.507 7.375 -31.079 1.00 0.00 C ATOM 0 H LEU C 46 96.580 8.866 -28.113 1.00 0.00 H new ATOM 0 HA LEU C 46 96.225 9.966 -30.583 1.00 0.00 H new ATOM 0 HB2 LEU C 46 98.585 9.852 -30.863 1.00 0.00 H new ATOM 0 HB3 LEU C 46 98.314 9.987 -29.137 1.00 0.00 H new ATOM 0 HG LEU C 46 99.983 8.410 -29.249 1.00 0.00 H new ATOM 0 HD11 LEU C 46 99.070 6.160 -28.705 1.00 0.00 H new ATOM 0 HD12 LEU C 46 98.210 7.473 -27.865 1.00 0.00 H new ATOM 0 HD13 LEU C 46 97.473 6.692 -29.284 1.00 0.00 H new ATOM 0 HD21 LEU C 46 100.119 6.499 -30.864 1.00 0.00 H new ATOM 0 HD22 LEU C 46 98.617 7.069 -31.630 1.00 0.00 H new ATOM 0 HD23 LEU C 46 100.081 8.080 -31.680 1.00 0.00 H new ATOM 1314 N ASN C 47 96.329 6.745 -30.938 1.00 0.00 N ATOM 1315 CA ASN C 47 96.112 5.723 -31.969 1.00 0.00 C ATOM 1316 C ASN C 47 94.735 5.893 -32.635 1.00 0.00 C ATOM 1317 O ASN C 47 94.634 5.950 -33.859 1.00 0.00 O ATOM 1318 CB ASN C 47 96.207 4.327 -31.348 1.00 0.00 C ATOM 1319 CG ASN C 47 97.619 4.072 -30.837 1.00 0.00 C ATOM 1320 OD1 ASN C 47 98.582 4.156 -31.599 1.00 0.00 O ATOM 1321 ND2 ASN C 47 97.798 3.767 -29.581 1.00 0.00 N ATOM 0 H ASN C 47 96.368 6.400 -29.979 1.00 0.00 H new ATOM 0 HA ASN C 47 96.884 5.842 -32.730 1.00 0.00 H new ATOM 0 HB2 ASN C 47 95.494 4.237 -30.528 1.00 0.00 H new ATOM 0 HB3 ASN C 47 95.939 3.573 -32.088 1.00 0.00 H new ATOM 0 HD21 ASN C 47 98.739 3.597 -29.227 1.00 0.00 H new ATOM 0 HD22 ASN C 47 96.997 3.699 -28.954 1.00 0.00 H new ATOM 1328 N GLN C 48 93.701 5.955 -31.834 1.00 0.00 N ATOM 1329 CA GLN C 48 92.337 6.101 -32.341 1.00 0.00 C ATOM 1330 C GLN C 48 92.252 7.141 -33.464 1.00 0.00 C ATOM 1331 O GLN C 48 91.669 6.875 -34.516 1.00 0.00 O ATOM 1332 CB GLN C 48 91.403 6.506 -31.190 1.00 0.00 C ATOM 1333 CG GLN C 48 91.794 5.763 -29.905 1.00 0.00 C ATOM 1334 CD GLN C 48 91.960 4.272 -30.184 1.00 0.00 C ATOM 1335 OE1 GLN C 48 92.851 3.875 -30.933 1.00 0.00 O ATOM 1336 NE2 GLN C 48 91.150 3.418 -29.620 1.00 0.00 N ATOM 0 H GLN C 48 93.767 5.907 -30.817 1.00 0.00 H new ATOM 0 HA GLN C 48 92.030 5.141 -32.755 1.00 0.00 H new ATOM 0 HB2 GLN C 48 91.459 7.582 -31.028 1.00 0.00 H new ATOM 0 HB3 GLN C 48 90.370 6.276 -31.452 1.00 0.00 H new ATOM 0 HG2 GLN C 48 92.724 6.171 -29.509 1.00 0.00 H new ATOM 0 HG3 GLN C 48 91.030 5.914 -29.143 1.00 0.00 H new ATOM 0 HE21 GLN C 48 90.412 3.749 -28.999 1.00 0.00 H new ATOM 0 HE22 GLN C 48 91.255 2.420 -29.800 1.00 0.00 H new ATOM 1345 N ILE C 49 92.803 8.304 -33.241 1.00 0.00 N ATOM 1346 CA ILE C 49 92.752 9.364 -34.251 1.00 0.00 C ATOM 1347 C ILE C 49 93.538 8.975 -35.503 1.00 0.00 C ATOM 1348 O ILE C 49 93.218 9.423 -36.604 1.00 0.00 O ATOM 1349 CB ILE C 49 93.298 10.677 -33.677 1.00 0.00 C ATOM 1350 CG1 ILE C 49 93.375 11.731 -34.787 1.00 0.00 C ATOM 1351 CG2 ILE C 49 94.688 10.445 -33.094 1.00 0.00 C ATOM 1352 CD1 ILE C 49 93.589 13.115 -34.172 1.00 0.00 C ATOM 0 H ILE C 49 93.292 8.555 -32.382 1.00 0.00 H new ATOM 0 HA ILE C 49 91.709 9.504 -34.533 1.00 0.00 H new ATOM 0 HB ILE C 49 92.632 11.030 -32.889 1.00 0.00 H new ATOM 0 HG12 ILE C 49 94.192 11.495 -35.469 1.00 0.00 H new ATOM 0 HG13 ILE C 49 92.457 11.722 -35.374 1.00 0.00 H new ATOM 0 HG21 ILE C 49 95.073 11.380 -32.687 1.00 0.00 H new ATOM 0 HG22 ILE C 49 94.630 9.701 -32.300 1.00 0.00 H new ATOM 0 HG23 ILE C 49 95.356 10.088 -33.878 1.00 0.00 H new ATOM 0 HD11 ILE C 49 93.643 13.861 -34.965 1.00 0.00 H new ATOM 0 HD12 ILE C 49 92.757 13.351 -33.508 1.00 0.00 H new ATOM 0 HD13 ILE C 49 94.519 13.121 -33.604 1.00 0.00 H new ATOM 1364 N LYS C 50 94.542 8.159 -35.340 1.00 0.00 N ATOM 1365 CA LYS C 50 95.347 7.732 -36.481 1.00 0.00 C ATOM 1366 C LYS C 50 94.483 6.963 -37.478 1.00 0.00 C ATOM 1367 O LYS C 50 94.598 7.151 -38.687 1.00 0.00 O ATOM 1368 CB LYS C 50 96.503 6.837 -36.009 1.00 0.00 C ATOM 1369 CG LYS C 50 97.490 6.581 -37.166 1.00 0.00 C ATOM 1370 CD LYS C 50 98.515 7.717 -37.255 1.00 0.00 C ATOM 1371 CE LYS C 50 99.554 7.376 -38.325 1.00 0.00 C ATOM 1372 NZ LYS C 50 100.605 8.430 -38.352 1.00 0.00 N ATOM 0 H LYS C 50 94.831 7.772 -34.442 1.00 0.00 H new ATOM 0 HA LYS C 50 95.754 8.618 -36.968 1.00 0.00 H new ATOM 0 HB2 LYS C 50 97.023 7.312 -35.177 1.00 0.00 H new ATOM 0 HB3 LYS C 50 96.111 5.889 -35.640 1.00 0.00 H new ATOM 0 HG2 LYS C 50 98.003 5.631 -37.012 1.00 0.00 H new ATOM 0 HG3 LYS C 50 96.945 6.500 -38.106 1.00 0.00 H new ATOM 0 HD2 LYS C 50 98.016 8.654 -37.501 1.00 0.00 H new ATOM 0 HD3 LYS C 50 99.002 7.859 -36.290 1.00 0.00 H new ATOM 0 HE2 LYS C 50 100.003 6.405 -38.114 1.00 0.00 H new ATOM 0 HE3 LYS C 50 99.075 7.301 -39.301 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 100.642 8.859 -39.299 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 100.380 9.162 -37.649 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 101.528 8.006 -38.127 1.00 0.00 H new ATOM 1386 N ARG C 51 93.636 6.110 -36.967 1.00 0.00 N ATOM 1387 CA ARG C 51 92.760 5.313 -37.818 1.00 0.00 C ATOM 1388 C ARG C 51 92.046 6.197 -38.835 1.00 0.00 C ATOM 1389 O ARG C 51 91.536 7.264 -38.497 1.00 0.00 O ATOM 1390 CB ARG C 51 91.729 4.573 -36.953 1.00 0.00 C ATOM 1391 CG ARG C 51 90.816 3.678 -37.835 1.00 0.00 C ATOM 1392 CD ARG C 51 89.461 4.360 -38.074 1.00 0.00 C ATOM 1393 NE ARG C 51 88.694 4.403 -36.834 1.00 0.00 N ATOM 1394 CZ ARG C 51 87.482 4.884 -36.809 1.00 0.00 C ATOM 1395 NH1 ARG C 51 86.936 5.336 -37.904 1.00 0.00 N ATOM 1396 NH2 ARG C 51 86.815 4.911 -35.687 1.00 0.00 N ATOM 0 H ARG C 51 93.526 5.941 -35.967 1.00 0.00 H new ATOM 0 HA ARG C 51 93.367 4.587 -38.359 1.00 0.00 H new ATOM 0 HB2 ARG C 51 92.241 3.960 -36.212 1.00 0.00 H new ATOM 0 HB3 ARG C 51 91.121 5.294 -36.406 1.00 0.00 H new ATOM 0 HG2 ARG C 51 91.304 3.481 -38.790 1.00 0.00 H new ATOM 0 HG3 ARG C 51 90.664 2.714 -37.350 1.00 0.00 H new ATOM 0 HD2 ARG C 51 89.616 5.371 -38.450 1.00 0.00 H new ATOM 0 HD3 ARG C 51 88.902 3.818 -38.837 1.00 0.00 H new ATOM 0 HE ARG C 51 89.112 4.051 -35.973 1.00 0.00 H new ATOM 0 HH11 ARG C 51 87.457 5.313 -38.781 1.00 0.00 H new ATOM 0 HH12 ARG C 51 85.988 5.712 -37.884 1.00 0.00 H new ATOM 0 HH21 ARG C 51 87.242 4.556 -34.831 1.00 0.00 H new ATOM 0 HH22 ARG C 51 85.867 5.287 -35.666 1.00 0.00 H new ATOM 1410 N GLY C 52 92.016 5.750 -40.062 1.00 0.00 N ATOM 1411 CA GLY C 52 91.362 6.505 -41.124 1.00 0.00 C ATOM 1412 C GLY C 52 91.984 7.891 -41.269 1.00 0.00 C ATOM 0 H GLY C 52 92.433 4.869 -40.362 1.00 0.00 H new ATOM 0 HA2 GLY C 52 91.447 5.963 -42.066 1.00 0.00 H new ATOM 0 HA3 GLY C 52 90.298 6.600 -40.906 1.00 0.00 H new ATOM 1417 N SER D 23 84.981 -1.791 11.238 1.00 0.00 N ATOM 1418 CA SER D 23 84.858 -1.867 9.755 1.00 0.00 C ATOM 1419 C SER D 23 86.105 -2.527 9.177 1.00 0.00 C ATOM 1420 O SER D 23 87.192 -2.428 9.745 1.00 0.00 O ATOM 1421 CB SER D 23 84.700 -0.456 9.188 1.00 0.00 C ATOM 1422 OG SER D 23 84.833 -0.499 7.774 1.00 0.00 O ATOM 0 HA SER D 23 83.984 -2.460 9.486 1.00 0.00 H new ATOM 0 HB2 SER D 23 83.726 -0.049 9.461 1.00 0.00 H new ATOM 0 HB3 SER D 23 85.453 0.206 9.615 1.00 0.00 H new ATOM 0 HG SER D 23 84.730 0.404 7.408 1.00 0.00 H new ATOM 1427 N ASP D 24 85.941 -3.191 8.062 1.00 0.00 N ATOM 1428 CA ASP D 24 87.054 -3.874 7.404 1.00 0.00 C ATOM 1429 C ASP D 24 87.765 -2.906 6.446 1.00 0.00 C ATOM 1430 O ASP D 24 87.099 -2.101 5.805 1.00 0.00 O ATOM 1431 CB ASP D 24 86.506 -5.070 6.618 1.00 0.00 C ATOM 1432 CG ASP D 24 87.612 -5.726 5.800 1.00 0.00 C ATOM 1433 OD1 ASP D 24 87.831 -5.291 4.682 1.00 0.00 O ATOM 1434 OD2 ASP D 24 88.223 -6.655 6.304 1.00 0.00 O ATOM 0 H ASP D 24 85.047 -3.281 7.579 1.00 0.00 H new ATOM 0 HA ASP D 24 87.768 -4.219 8.152 1.00 0.00 H new ATOM 0 HB2 ASP D 24 86.075 -5.797 7.306 1.00 0.00 H new ATOM 0 HB3 ASP D 24 85.704 -4.741 5.957 1.00 0.00 H new ATOM 1439 N PRO D 25 89.082 -2.947 6.332 1.00 0.00 N ATOM 1440 CA PRO D 25 89.839 -2.034 5.410 1.00 0.00 C ATOM 1441 C PRO D 25 89.192 -1.857 4.025 1.00 0.00 C ATOM 1442 O PRO D 25 89.684 -2.387 3.029 1.00 0.00 O ATOM 1443 CB PRO D 25 91.203 -2.722 5.283 1.00 0.00 C ATOM 1444 CG PRO D 25 91.403 -3.423 6.586 1.00 0.00 C ATOM 1445 CD PRO D 25 90.007 -3.843 7.069 1.00 0.00 C ATOM 0 HA PRO D 25 89.876 -1.020 5.808 1.00 0.00 H new ATOM 0 HB2 PRO D 25 91.215 -3.425 4.450 1.00 0.00 H new ATOM 0 HB3 PRO D 25 91.996 -1.997 5.099 1.00 0.00 H new ATOM 0 HG2 PRO D 25 92.050 -4.292 6.465 1.00 0.00 H new ATOM 0 HG3 PRO D 25 91.884 -2.766 7.311 1.00 0.00 H new ATOM 0 HD2 PRO D 25 89.807 -4.891 6.847 1.00 0.00 H new ATOM 0 HD3 PRO D 25 89.905 -3.721 8.147 1.00 0.00 H new ATOM 1453 N LEU D 26 88.123 -1.109 3.963 1.00 0.00 N ATOM 1454 CA LEU D 26 87.449 -0.857 2.688 1.00 0.00 C ATOM 1455 C LEU D 26 88.309 0.060 1.811 1.00 0.00 C ATOM 1456 O LEU D 26 88.411 -0.142 0.601 1.00 0.00 O ATOM 1457 CB LEU D 26 86.059 -0.216 2.941 1.00 0.00 C ATOM 1458 CG LEU D 26 84.935 -1.260 2.820 1.00 0.00 C ATOM 1459 CD1 LEU D 26 85.075 -2.313 3.921 1.00 0.00 C ATOM 1460 CD2 LEU D 26 83.579 -0.560 2.965 1.00 0.00 C ATOM 0 H LEU D 26 87.690 -0.659 4.769 1.00 0.00 H new ATOM 0 HA LEU D 26 87.307 -1.804 2.167 1.00 0.00 H new ATOM 0 HB2 LEU D 26 86.038 0.232 3.934 1.00 0.00 H new ATOM 0 HB3 LEU D 26 85.891 0.588 2.225 1.00 0.00 H new ATOM 0 HG LEU D 26 85.003 -1.747 1.847 1.00 0.00 H new ATOM 0 HD11 LEU D 26 84.275 -3.047 3.826 1.00 0.00 H new ATOM 0 HD12 LEU D 26 86.039 -2.813 3.826 1.00 0.00 H new ATOM 0 HD13 LEU D 26 85.011 -1.830 4.896 1.00 0.00 H new ATOM 0 HD21 LEU D 26 82.779 -1.295 2.880 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.523 -0.074 3.939 1.00 0.00 H new ATOM 0 HD23 LEU D 26 83.470 0.188 2.179 1.00 0.00 H new ATOM 1472 N VAL D 27 88.887 1.061 2.412 1.00 0.00 N ATOM 1473 CA VAL D 27 89.706 2.017 1.672 1.00 0.00 C ATOM 1474 C VAL D 27 90.856 1.336 0.942 1.00 0.00 C ATOM 1475 O VAL D 27 91.072 1.585 -0.242 1.00 0.00 O ATOM 1476 CB VAL D 27 90.277 3.064 2.633 1.00 0.00 C ATOM 1477 CG1 VAL D 27 91.089 4.104 1.848 1.00 0.00 C ATOM 1478 CG2 VAL D 27 89.129 3.760 3.367 1.00 0.00 C ATOM 0 H VAL D 27 88.815 1.248 3.412 1.00 0.00 H new ATOM 0 HA VAL D 27 89.063 2.491 0.930 1.00 0.00 H new ATOM 0 HB VAL D 27 90.928 2.572 3.355 1.00 0.00 H new ATOM 0 HG11 VAL D 27 91.493 4.846 2.537 1.00 0.00 H new ATOM 0 HG12 VAL D 27 91.909 3.608 1.328 1.00 0.00 H new ATOM 0 HG13 VAL D 27 90.443 4.597 1.121 1.00 0.00 H new ATOM 0 HG21 VAL D 27 89.534 4.506 4.051 1.00 0.00 H new ATOM 0 HG22 VAL D 27 88.477 4.248 2.643 1.00 0.00 H new ATOM 0 HG23 VAL D 27 88.557 3.023 3.930 1.00 0.00 H new ATOM 1488 N VAL D 28 91.593 0.507 1.625 1.00 0.00 N ATOM 1489 CA VAL D 28 92.723 -0.176 1.014 1.00 0.00 C ATOM 1490 C VAL D 28 92.260 -1.229 0.010 1.00 0.00 C ATOM 1491 O VAL D 28 92.994 -1.578 -0.910 1.00 0.00 O ATOM 1492 CB VAL D 28 93.604 -0.810 2.113 1.00 0.00 C ATOM 1493 CG1 VAL D 28 93.026 -2.159 2.561 1.00 0.00 C ATOM 1494 CG2 VAL D 28 95.026 -1.022 1.582 1.00 0.00 C ATOM 0 H VAL D 28 91.440 0.280 2.608 1.00 0.00 H new ATOM 0 HA VAL D 28 93.314 0.556 0.464 1.00 0.00 H new ATOM 0 HB VAL D 28 93.625 -0.133 2.967 1.00 0.00 H new ATOM 0 HG11 VAL D 28 93.662 -2.588 3.335 1.00 0.00 H new ATOM 0 HG12 VAL D 28 92.021 -2.011 2.957 1.00 0.00 H new ATOM 0 HG13 VAL D 28 92.984 -2.838 1.709 1.00 0.00 H new ATOM 0 HG21 VAL D 28 95.643 -1.469 2.362 1.00 0.00 H new ATOM 0 HG22 VAL D 28 94.996 -1.685 0.717 1.00 0.00 H new ATOM 0 HG23 VAL D 28 95.452 -0.062 1.289 1.00 0.00 H new ATOM 1504 N ALA D 29 91.066 -1.725 0.196 1.00 0.00 N ATOM 1505 CA ALA D 29 90.520 -2.746 -0.694 1.00 0.00 C ATOM 1506 C ALA D 29 90.466 -2.266 -2.146 1.00 0.00 C ATOM 1507 O ALA D 29 90.889 -2.981 -3.051 1.00 0.00 O ATOM 1508 CB ALA D 29 89.117 -3.143 -0.234 1.00 0.00 C ATOM 0 H ALA D 29 90.443 -1.446 0.954 1.00 0.00 H new ATOM 0 HA ALA D 29 91.184 -3.609 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA D 29 88.717 -3.905 -0.903 1.00 0.00 H new ATOM 0 HB2 ALA D 29 89.165 -3.540 0.780 1.00 0.00 H new ATOM 0 HB3 ALA D 29 88.467 -2.268 -0.251 1.00 0.00 H new ATOM 1514 N ALA D 30 89.966 -1.078 -2.366 1.00 0.00 N ATOM 1515 CA ALA D 30 89.900 -0.564 -3.721 1.00 0.00 C ATOM 1516 C ALA D 30 91.301 -0.193 -4.224 1.00 0.00 C ATOM 1517 O ALA D 30 91.738 -0.645 -5.284 1.00 0.00 O ATOM 1518 CB ALA D 30 89.011 0.656 -3.721 1.00 0.00 C ATOM 0 H ALA D 30 89.604 -0.454 -1.645 1.00 0.00 H new ATOM 0 HA ALA D 30 89.495 -1.327 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA D 30 88.947 1.060 -4.732 1.00 0.00 H new ATOM 0 HB2 ALA D 30 88.014 0.380 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA D 30 89.429 1.411 -3.055 1.00 0.00 H new ATOM 1524 N SER D 31 91.973 0.627 -3.461 1.00 0.00 N ATOM 1525 CA SER D 31 93.325 1.091 -3.796 1.00 0.00 C ATOM 1526 C SER D 31 94.290 -0.057 -4.122 1.00 0.00 C ATOM 1527 O SER D 31 95.254 0.128 -4.866 1.00 0.00 O ATOM 1528 CB SER D 31 93.890 1.886 -2.623 1.00 0.00 C ATOM 1529 OG SER D 31 95.244 2.222 -2.895 1.00 0.00 O ATOM 0 H SER D 31 91.612 1.002 -2.584 1.00 0.00 H new ATOM 0 HA SER D 31 93.236 1.709 -4.689 1.00 0.00 H new ATOM 0 HB2 SER D 31 93.303 2.791 -2.465 1.00 0.00 H new ATOM 0 HB3 SER D 31 93.825 1.300 -1.706 1.00 0.00 H new ATOM 0 HG SER D 31 95.741 2.284 -2.053 1.00 0.00 H new ATOM 1535 N ILE D 32 94.046 -1.204 -3.561 1.00 0.00 N ATOM 1536 CA ILE D 32 94.930 -2.349 -3.798 1.00 0.00 C ATOM 1537 C ILE D 32 95.074 -2.605 -5.303 1.00 0.00 C ATOM 1538 O ILE D 32 96.178 -2.806 -5.805 1.00 0.00 O ATOM 1539 CB ILE D 32 94.411 -3.604 -3.050 1.00 0.00 C ATOM 1540 CG1 ILE D 32 95.584 -4.514 -2.643 1.00 0.00 C ATOM 1541 CG2 ILE D 32 93.429 -4.396 -3.915 1.00 0.00 C ATOM 1542 CD1 ILE D 32 96.455 -4.846 -3.859 1.00 0.00 C ATOM 0 H ILE D 32 93.258 -1.389 -2.941 1.00 0.00 H new ATOM 0 HA ILE D 32 95.920 -2.120 -3.402 1.00 0.00 H new ATOM 0 HB ILE D 32 93.891 -3.262 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE D 32 96.187 -4.020 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE D 32 95.201 -5.434 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE D 32 93.082 -5.270 -3.364 1.00 0.00 H new ATOM 0 HG22 ILE D 32 92.577 -3.765 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE D 32 93.927 -4.718 -4.830 1.00 0.00 H new ATOM 0 HD11 ILE D 32 97.279 -5.490 -3.551 1.00 0.00 H new ATOM 0 HD12 ILE D 32 95.853 -5.360 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE D 32 96.854 -3.925 -4.283 1.00 0.00 H new ATOM 1554 N ILE D 33 93.977 -2.604 -6.003 1.00 0.00 N ATOM 1555 CA ILE D 33 94.008 -2.844 -7.444 1.00 0.00 C ATOM 1556 C ILE D 33 94.704 -1.700 -8.185 1.00 0.00 C ATOM 1557 O ILE D 33 95.376 -1.929 -9.189 1.00 0.00 O ATOM 1558 CB ILE D 33 92.581 -3.031 -7.980 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.032 -4.375 -7.493 1.00 0.00 C ATOM 1560 CG2 ILE D 33 92.588 -3.017 -9.514 1.00 0.00 C ATOM 1561 CD1 ILE D 33 90.520 -4.413 -7.709 1.00 0.00 C ATOM 0 H ILE D 33 93.047 -2.442 -5.616 1.00 0.00 H new ATOM 0 HA ILE D 33 94.580 -3.755 -7.620 1.00 0.00 H new ATOM 0 HB ILE D 33 91.954 -2.217 -7.617 1.00 0.00 H new ATOM 0 HG12 ILE D 33 92.509 -5.193 -8.034 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.263 -4.514 -6.437 1.00 0.00 H new ATOM 0 HG21 ILE D 33 91.571 -3.150 -9.884 1.00 0.00 H new ATOM 0 HG22 ILE D 33 92.980 -2.063 -9.867 1.00 0.00 H new ATOM 0 HG23 ILE D 33 93.217 -3.827 -9.882 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.127 -5.369 -7.363 1.00 0.00 H new ATOM 0 HD12 ILE D 33 90.052 -3.604 -7.148 1.00 0.00 H new ATOM 0 HD13 ILE D 33 90.301 -4.293 -8.770 1.00 0.00 H new ATOM 1573 N GLY D 34 94.487 -0.490 -7.750 1.00 0.00 N ATOM 1574 CA GLY D 34 95.038 0.670 -8.443 1.00 0.00 C ATOM 1575 C GLY D 34 96.509 0.519 -8.831 1.00 0.00 C ATOM 1576 O GLY D 34 96.878 0.864 -9.954 1.00 0.00 O ATOM 0 H GLY D 34 93.935 -0.268 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY D 34 94.452 0.855 -9.343 1.00 0.00 H new ATOM 0 HA3 GLY D 34 94.929 1.547 -7.806 1.00 0.00 H new ATOM 1580 N ILE D 35 97.342 0.034 -7.956 1.00 0.00 N ATOM 1581 CA ILE D 35 98.751 -0.101 -8.320 1.00 0.00 C ATOM 1582 C ILE D 35 98.919 -1.103 -9.464 1.00 0.00 C ATOM 1583 O ILE D 35 99.840 -0.983 -10.269 1.00 0.00 O ATOM 1584 CB ILE D 35 99.598 -0.521 -7.119 1.00 0.00 C ATOM 1585 CG1 ILE D 35 99.010 -1.779 -6.484 1.00 0.00 C ATOM 1586 CG2 ILE D 35 99.616 0.611 -6.088 1.00 0.00 C ATOM 1587 CD1 ILE D 35 100.031 -2.385 -5.520 1.00 0.00 C ATOM 0 H ILE D 35 97.098 -0.269 -7.013 1.00 0.00 H new ATOM 0 HA ILE D 35 99.101 0.875 -8.655 1.00 0.00 H new ATOM 0 HB ILE D 35 100.615 -0.730 -7.452 1.00 0.00 H new ATOM 0 HG12 ILE D 35 98.091 -1.535 -5.952 1.00 0.00 H new ATOM 0 HG13 ILE D 35 98.749 -2.502 -7.257 1.00 0.00 H new ATOM 0 HG21 ILE D 35 100.220 0.313 -5.231 1.00 0.00 H new ATOM 0 HG22 ILE D 35 100.043 1.507 -6.539 1.00 0.00 H new ATOM 0 HG23 ILE D 35 98.598 0.820 -5.760 1.00 0.00 H new ATOM 0 HD11 ILE D 35 99.613 -3.283 -5.065 1.00 0.00 H new ATOM 0 HD12 ILE D 35 100.938 -2.643 -6.066 1.00 0.00 H new ATOM 0 HD13 ILE D 35 100.270 -1.661 -4.741 1.00 0.00 H new ATOM 1599 N LEU D 36 98.039 -2.064 -9.538 1.00 0.00 N ATOM 1600 CA LEU D 36 98.108 -3.067 -10.604 1.00 0.00 C ATOM 1601 C LEU D 36 97.852 -2.416 -11.965 1.00 0.00 C ATOM 1602 O LEU D 36 98.613 -2.605 -12.913 1.00 0.00 O ATOM 1603 CB LEU D 36 97.050 -4.149 -10.350 1.00 0.00 C ATOM 1604 CG LEU D 36 97.258 -5.349 -11.296 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.315 -6.300 -10.719 1.00 0.00 C ATOM 1606 CD2 LEU D 36 95.932 -6.111 -11.455 1.00 0.00 C ATOM 0 H LEU D 36 97.265 -2.187 -8.885 1.00 0.00 H new ATOM 0 HA LEU D 36 99.103 -3.513 -10.608 1.00 0.00 H new ATOM 0 HB2 LEU D 36 97.106 -4.483 -9.314 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.054 -3.732 -10.497 1.00 0.00 H new ATOM 0 HG LEU D 36 97.595 -4.980 -12.265 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.454 -7.143 -11.395 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.259 -5.768 -10.604 1.00 0.00 H new ATOM 0 HD13 LEU D 36 97.984 -6.665 -9.747 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.078 -6.959 -12.124 1.00 0.00 H new ATOM 0 HD22 LEU D 36 95.599 -6.470 -10.481 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.177 -5.445 -11.873 1.00 0.00 H new ATOM 1618 N HIS D 37 96.778 -1.678 -12.039 1.00 0.00 N ATOM 1619 CA HIS D 37 96.406 -1.013 -13.288 1.00 0.00 C ATOM 1620 C HIS D 37 97.466 0.005 -13.699 1.00 0.00 C ATOM 1621 O HIS D 37 97.678 0.244 -14.886 1.00 0.00 O ATOM 1622 CB HIS D 37 95.001 -0.366 -13.183 1.00 0.00 C ATOM 1623 CG HIS D 37 95.033 1.044 -12.621 1.00 0.00 C ATOM 1624 ND1 HIS D 37 95.996 1.989 -12.960 1.00 0.00 N ATOM 1625 CD2 HIS D 37 94.185 1.686 -11.752 1.00 0.00 C ATOM 1626 CE1 HIS D 37 95.705 3.125 -12.299 1.00 0.00 C ATOM 1627 NE2 HIS D 37 94.609 2.993 -11.551 1.00 0.00 N ATOM 0 H HIS D 37 96.139 -1.514 -11.261 1.00 0.00 H new ATOM 0 HA HIS D 37 96.355 -1.769 -14.071 1.00 0.00 H new ATOM 0 HB2 HIS D 37 94.542 -0.346 -14.172 1.00 0.00 H new ATOM 0 HB3 HIS D 37 94.368 -0.988 -12.550 1.00 0.00 H new ATOM 0 HD2 HIS D 37 93.316 1.240 -11.292 1.00 0.00 H new ATOM 0 HE1 HIS D 37 96.288 4.032 -12.366 1.00 0.00 H new ATOM 0 HE2 HIS D 37 94.175 3.701 -10.958 1.00 0.00 H new ATOM 1636 N PHE D 38 98.109 0.601 -12.730 1.00 0.00 N ATOM 1637 CA PHE D 38 99.137 1.603 -13.009 1.00 0.00 C ATOM 1638 C PHE D 38 100.344 0.995 -13.726 1.00 0.00 C ATOM 1639 O PHE D 38 100.839 1.559 -14.699 1.00 0.00 O ATOM 1640 CB PHE D 38 99.600 2.265 -11.705 1.00 0.00 C ATOM 1641 CG PHE D 38 100.722 3.234 -12.006 1.00 0.00 C ATOM 1642 CD1 PHE D 38 100.434 4.547 -12.397 1.00 0.00 C ATOM 1643 CD2 PHE D 38 102.054 2.811 -11.902 1.00 0.00 C ATOM 1644 CE1 PHE D 38 101.476 5.437 -12.681 1.00 0.00 C ATOM 1645 CE2 PHE D 38 103.095 3.701 -12.188 1.00 0.00 C ATOM 1646 CZ PHE D 38 102.806 5.014 -12.579 1.00 0.00 C ATOM 0 H PHE D 38 97.949 0.420 -11.739 1.00 0.00 H new ATOM 0 HA PHE D 38 98.692 2.350 -13.666 1.00 0.00 H new ATOM 0 HB2 PHE D 38 98.768 2.789 -11.235 1.00 0.00 H new ATOM 0 HB3 PHE D 38 99.939 1.507 -10.999 1.00 0.00 H new ATOM 0 HD1 PHE D 38 99.408 4.873 -12.479 1.00 0.00 H new ATOM 0 HD2 PHE D 38 102.277 1.798 -11.601 1.00 0.00 H new ATOM 0 HE1 PHE D 38 101.254 6.451 -12.979 1.00 0.00 H new ATOM 0 HE2 PHE D 38 104.122 3.375 -12.107 1.00 0.00 H new ATOM 0 HZ PHE D 38 103.610 5.700 -12.802 1.00 0.00 H new ATOM 1656 N ILE D 39 100.830 -0.113 -13.234 1.00 0.00 N ATOM 1657 CA ILE D 39 102.004 -0.749 -13.831 1.00 0.00 C ATOM 1658 C ILE D 39 101.696 -1.348 -15.200 1.00 0.00 C ATOM 1659 O ILE D 39 102.510 -1.256 -16.118 1.00 0.00 O ATOM 1660 CB ILE D 39 102.528 -1.845 -12.902 1.00 0.00 C ATOM 1661 CG1 ILE D 39 102.836 -1.240 -11.529 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.803 -2.451 -13.493 1.00 0.00 C ATOM 1663 CD1 ILE D 39 103.155 -2.358 -10.534 1.00 0.00 C ATOM 0 H ILE D 39 100.444 -0.602 -12.427 1.00 0.00 H new ATOM 0 HA ILE D 39 102.762 0.023 -13.966 1.00 0.00 H new ATOM 0 HB ILE D 39 101.774 -2.625 -12.796 1.00 0.00 H new ATOM 0 HG12 ILE D 39 103.680 -0.554 -11.604 1.00 0.00 H new ATOM 0 HG13 ILE D 39 101.984 -0.659 -11.177 1.00 0.00 H new ATOM 0 HG21 ILE D 39 104.176 -3.232 -12.830 1.00 0.00 H new ATOM 0 HG22 ILE D 39 103.583 -2.879 -14.471 1.00 0.00 H new ATOM 0 HG23 ILE D 39 104.560 -1.674 -13.599 1.00 0.00 H new ATOM 0 HD11 ILE D 39 103.374 -1.925 -9.558 1.00 0.00 H new ATOM 0 HD12 ILE D 39 102.298 -3.026 -10.451 1.00 0.00 H new ATOM 0 HD13 ILE D 39 104.021 -2.920 -10.884 1.00 0.00 H new ATOM 1675 N ALA D 40 100.549 -1.952 -15.336 1.00 0.00 N ATOM 1676 CA ALA D 40 100.172 -2.559 -16.604 1.00 0.00 C ATOM 1677 C ALA D 40 99.957 -1.487 -17.662 1.00 0.00 C ATOM 1678 O ALA D 40 100.130 -1.727 -18.850 1.00 0.00 O ATOM 1679 CB ALA D 40 98.892 -3.380 -16.435 1.00 0.00 C ATOM 0 H ALA D 40 99.854 -2.043 -14.595 1.00 0.00 H new ATOM 0 HA ALA D 40 100.980 -3.216 -16.926 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.619 -3.829 -17.390 1.00 0.00 H new ATOM 0 HB2 ALA D 40 99.058 -4.166 -15.698 1.00 0.00 H new ATOM 0 HB3 ALA D 40 98.085 -2.730 -16.096 1.00 0.00 H new ATOM 1685 N TRP D 41 99.563 -0.332 -17.224 1.00 0.00 N ATOM 1686 CA TRP D 41 99.297 0.782 -18.126 1.00 0.00 C ATOM 1687 C TRP D 41 100.445 1.011 -19.107 1.00 0.00 C ATOM 1688 O TRP D 41 100.221 1.350 -20.269 1.00 0.00 O ATOM 1689 CB TRP D 41 99.085 2.040 -17.287 1.00 0.00 C ATOM 1690 CG TRP D 41 98.713 3.189 -18.165 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.533 3.775 -19.069 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.452 3.914 -18.222 1.00 0.00 C ATOM 1693 NE1 TRP D 41 98.844 4.795 -19.697 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.561 4.922 -19.207 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.234 3.792 -17.529 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.502 5.776 -19.495 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.166 4.658 -17.813 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.301 5.647 -18.796 1.00 0.00 C ATOM 0 H TRP D 41 99.413 -0.119 -16.238 1.00 0.00 H new ATOM 0 HA TRP D 41 98.409 0.548 -18.713 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.300 1.867 -16.551 1.00 0.00 H new ATOM 0 HB3 TRP D 41 99.995 2.275 -16.734 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.556 3.492 -19.267 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.236 5.382 -20.433 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.120 3.028 -16.774 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.608 6.535 -20.256 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.237 4.561 -17.271 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.476 6.309 -19.013 1.00 0.00 H new ATOM 1709 N THR D 42 101.644 0.874 -18.632 1.00 0.00 N ATOM 1710 CA THR D 42 102.826 1.118 -19.458 1.00 0.00 C ATOM 1711 C THR D 42 102.748 0.423 -20.821 1.00 0.00 C ATOM 1712 O THR D 42 103.111 1.015 -21.836 1.00 0.00 O ATOM 1713 CB THR D 42 104.075 0.634 -18.719 1.00 0.00 C ATOM 1714 OG1 THR D 42 103.866 -0.698 -18.266 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.348 1.547 -17.522 1.00 0.00 C ATOM 0 H THR D 42 101.849 0.594 -17.673 1.00 0.00 H new ATOM 0 HA THR D 42 102.875 2.192 -19.639 1.00 0.00 H new ATOM 0 HB THR D 42 104.931 0.659 -19.393 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.520 -0.681 -17.349 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.238 1.201 -16.996 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.506 2.567 -17.871 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.494 1.524 -16.845 1.00 0.00 H new ATOM 1723 N ILE D 43 102.314 -0.806 -20.851 1.00 0.00 N ATOM 1724 CA ILE D 43 102.242 -1.534 -22.118 1.00 0.00 C ATOM 1725 C ILE D 43 101.535 -0.719 -23.205 1.00 0.00 C ATOM 1726 O ILE D 43 101.813 -0.895 -24.387 1.00 0.00 O ATOM 1727 CB ILE D 43 101.540 -2.885 -21.931 1.00 0.00 C ATOM 1728 CG1 ILE D 43 100.023 -2.663 -21.794 1.00 0.00 C ATOM 1729 CG2 ILE D 43 102.106 -3.578 -20.685 1.00 0.00 C ATOM 1730 CD1 ILE D 43 99.343 -3.922 -21.246 1.00 0.00 C ATOM 0 H ILE D 43 102.005 -1.332 -20.033 1.00 0.00 H new ATOM 0 HA ILE D 43 103.267 -1.709 -22.446 1.00 0.00 H new ATOM 0 HB ILE D 43 101.717 -3.522 -22.797 1.00 0.00 H new ATOM 0 HG12 ILE D 43 99.831 -1.821 -21.129 1.00 0.00 H new ATOM 0 HG13 ILE D 43 99.598 -2.406 -22.764 1.00 0.00 H new ATOM 0 HG21 ILE D 43 101.611 -4.539 -20.547 1.00 0.00 H new ATOM 0 HG22 ILE D 43 103.177 -3.736 -20.812 1.00 0.00 H new ATOM 0 HG23 ILE D 43 101.933 -2.951 -19.810 1.00 0.00 H new ATOM 0 HD11 ILE D 43 98.271 -3.747 -21.156 1.00 0.00 H new ATOM 0 HD12 ILE D 43 99.518 -4.756 -21.926 1.00 0.00 H new ATOM 0 HD13 ILE D 43 99.755 -4.161 -20.266 1.00 0.00 H new ATOM 1742 N GLY D 44 100.631 0.147 -22.831 1.00 0.00 N ATOM 1743 CA GLY D 44 99.930 0.941 -23.840 1.00 0.00 C ATOM 1744 C GLY D 44 100.928 1.767 -24.650 1.00 0.00 C ATOM 1745 O GLY D 44 100.907 1.749 -25.879 1.00 0.00 O ATOM 0 H GLY D 44 100.358 0.328 -21.865 1.00 0.00 H new ATOM 0 HA2 GLY D 44 99.368 0.284 -24.504 1.00 0.00 H new ATOM 0 HA3 GLY D 44 99.208 1.600 -23.357 1.00 0.00 H new ATOM 1749 N HIS D 45 101.749 2.511 -23.961 1.00 0.00 N ATOM 1750 CA HIS D 45 102.720 3.390 -24.606 1.00 0.00 C ATOM 1751 C HIS D 45 103.440 2.693 -25.759 1.00 0.00 C ATOM 1752 O HIS D 45 103.916 3.344 -26.685 1.00 0.00 O ATOM 1753 CB HIS D 45 103.746 3.856 -23.571 1.00 0.00 C ATOM 1754 CG HIS D 45 104.765 4.740 -24.234 1.00 0.00 C ATOM 1755 ND1 HIS D 45 105.805 4.227 -24.993 1.00 0.00 N ATOM 1756 CD2 HIS D 45 104.919 6.105 -24.257 1.00 0.00 C ATOM 1757 CE1 HIS D 45 106.533 5.268 -25.437 1.00 0.00 C ATOM 1758 NE2 HIS D 45 106.037 6.435 -25.017 1.00 0.00 N ATOM 0 H HIS D 45 101.774 2.534 -22.942 1.00 0.00 H new ATOM 0 HA HIS D 45 102.180 4.243 -25.017 1.00 0.00 H new ATOM 0 HB2 HIS D 45 103.247 4.398 -22.768 1.00 0.00 H new ATOM 0 HB3 HIS D 45 104.237 2.995 -23.117 1.00 0.00 H new ATOM 0 HD2 HIS D 45 104.272 6.813 -23.761 1.00 0.00 H new ATOM 0 HE1 HIS D 45 107.412 5.172 -26.058 1.00 0.00 H new ATOM 0 HE2 HIS D 45 106.400 7.368 -25.212 1.00 0.00 H new ATOM 1767 N LEU D 46 103.547 1.406 -25.711 1.00 0.00 N ATOM 1768 CA LEU D 46 104.241 0.694 -26.769 1.00 0.00 C ATOM 1769 C LEU D 46 103.784 1.156 -28.165 1.00 0.00 C ATOM 1770 O LEU D 46 104.551 1.033 -29.119 1.00 0.00 O ATOM 1771 CB LEU D 46 104.132 -0.852 -26.570 1.00 0.00 C ATOM 1772 CG LEU D 46 103.222 -1.553 -27.608 1.00 0.00 C ATOM 1773 CD1 LEU D 46 103.379 -3.071 -27.446 1.00 0.00 C ATOM 1774 CD2 LEU D 46 101.751 -1.169 -27.374 1.00 0.00 C ATOM 0 H LEU D 46 103.173 0.819 -24.966 1.00 0.00 H new ATOM 0 HA LEU D 46 105.300 0.944 -26.706 1.00 0.00 H new ATOM 0 HB2 LEU D 46 105.130 -1.287 -26.623 1.00 0.00 H new ATOM 0 HB3 LEU D 46 103.749 -1.054 -25.570 1.00 0.00 H new ATOM 0 HG LEU D 46 103.510 -1.243 -28.612 1.00 0.00 H new ATOM 0 HD11 LEU D 46 102.744 -3.582 -28.170 1.00 0.00 H new ATOM 0 HD12 LEU D 46 104.419 -3.349 -27.615 1.00 0.00 H new ATOM 0 HD13 LEU D 46 103.085 -3.362 -26.437 1.00 0.00 H new ATOM 0 HD21 LEU D 46 101.123 -1.669 -28.111 1.00 0.00 H new ATOM 0 HD22 LEU D 46 101.450 -1.476 -26.372 1.00 0.00 H new ATOM 0 HD23 LEU D 46 101.637 -0.089 -27.473 1.00 0.00 H new ATOM 1786 N ASN D 47 102.586 1.686 -28.317 1.00 0.00 N ATOM 1787 CA ASN D 47 102.126 2.151 -29.636 1.00 0.00 C ATOM 1788 C ASN D 47 102.819 3.445 -30.126 1.00 0.00 C ATOM 1789 O ASN D 47 102.961 3.644 -31.332 1.00 0.00 O ATOM 1790 CB ASN D 47 100.619 2.396 -29.581 1.00 0.00 C ATOM 1791 CG ASN D 47 99.895 1.119 -29.167 1.00 0.00 C ATOM 1792 OD1 ASN D 47 99.660 0.241 -29.997 1.00 0.00 O ATOM 1793 ND2 ASN D 47 99.525 0.962 -27.925 1.00 0.00 N ATOM 0 H ASN D 47 101.912 1.810 -27.562 1.00 0.00 H new ATOM 0 HA ASN D 47 102.387 1.366 -30.346 1.00 0.00 H new ATOM 0 HB2 ASN D 47 100.398 3.194 -28.873 1.00 0.00 H new ATOM 0 HB3 ASN D 47 100.261 2.727 -30.556 1.00 0.00 H new ATOM 0 HD21 ASN D 47 99.040 0.111 -27.641 1.00 0.00 H new ATOM 0 HD22 ASN D 47 99.721 1.691 -27.239 1.00 0.00 H new ATOM 1800 N GLN D 48 103.250 4.301 -29.221 1.00 0.00 N ATOM 1801 CA GLN D 48 103.926 5.538 -29.617 1.00 0.00 C ATOM 1802 C GLN D 48 105.141 5.199 -30.464 1.00 0.00 C ATOM 1803 O GLN D 48 105.304 5.697 -31.577 1.00 0.00 O ATOM 1804 CB GLN D 48 104.397 6.330 -28.387 1.00 0.00 C ATOM 1805 CG GLN D 48 103.290 6.407 -27.331 1.00 0.00 C ATOM 1806 CD GLN D 48 102.008 6.933 -27.946 1.00 0.00 C ATOM 1807 OE1 GLN D 48 101.341 6.177 -28.770 1.00 0.00 O flip ATOM 1808 NE2 GLN D 48 101.603 8.058 -27.664 1.00 0.00 N flip ATOM 0 H GLN D 48 103.150 4.173 -28.214 1.00 0.00 H new ATOM 0 HA GLN D 48 103.218 6.145 -30.181 1.00 0.00 H new ATOM 0 HB2 GLN D 48 105.280 5.855 -27.960 1.00 0.00 H new ATOM 0 HB3 GLN D 48 104.690 7.336 -28.687 1.00 0.00 H new ATOM 0 HG2 GLN D 48 103.117 5.419 -26.904 1.00 0.00 H new ATOM 0 HG3 GLN D 48 103.603 7.058 -26.514 1.00 0.00 H new ATOM 0 HE21 GLN D 48 102.132 8.643 -27.017 1.00 0.00 H new ATOM 0 HE22 GLN D 48 100.738 8.407 -28.076 1.00 0.00 H new ATOM 1817 N ILE D 49 105.974 4.352 -29.927 1.00 0.00 N ATOM 1818 CA ILE D 49 107.183 3.927 -30.618 1.00 0.00 C ATOM 1819 C ILE D 49 106.874 3.603 -32.076 1.00 0.00 C ATOM 1820 O ILE D 49 107.038 4.448 -32.955 1.00 0.00 O ATOM 1821 CB ILE D 49 107.770 2.697 -29.920 1.00 0.00 C ATOM 1822 CG1 ILE D 49 108.180 3.078 -28.493 1.00 0.00 C ATOM 1823 CG2 ILE D 49 108.998 2.207 -30.691 1.00 0.00 C ATOM 1824 CD1 ILE D 49 108.555 1.820 -27.704 1.00 0.00 C ATOM 0 H ILE D 49 105.846 3.933 -29.006 1.00 0.00 H new ATOM 0 HA ILE D 49 107.911 4.738 -30.589 1.00 0.00 H new ATOM 0 HB ILE D 49 107.025 1.902 -29.889 1.00 0.00 H new ATOM 0 HG12 ILE D 49 109.025 3.766 -28.520 1.00 0.00 H new ATOM 0 HG13 ILE D 49 107.361 3.598 -27.997 1.00 0.00 H new ATOM 0 HG21 ILE D 49 109.415 1.332 -30.193 1.00 0.00 H new ATOM 0 HG22 ILE D 49 108.708 1.942 -31.708 1.00 0.00 H new ATOM 0 HG23 ILE D 49 109.748 2.998 -30.722 1.00 0.00 H new ATOM 0 HD11 ILE D 49 108.845 2.099 -26.691 1.00 0.00 H new ATOM 0 HD12 ILE D 49 107.699 1.147 -27.664 1.00 0.00 H new ATOM 0 HD13 ILE D 49 109.389 1.318 -28.195 1.00 0.00 H new ATOM 1836 N LYS D 50 106.435 2.401 -32.322 1.00 0.00 N ATOM 1837 CA LYS D 50 106.109 1.981 -33.682 1.00 0.00 C ATOM 1838 C LYS D 50 105.303 3.058 -34.406 1.00 0.00 C ATOM 1839 O LYS D 50 105.642 3.455 -35.520 1.00 0.00 O ATOM 1840 CB LYS D 50 105.304 0.678 -33.640 1.00 0.00 C ATOM 1841 CG LYS D 50 105.197 0.069 -35.053 1.00 0.00 C ATOM 1842 CD LYS D 50 106.419 -0.812 -35.341 1.00 0.00 C ATOM 1843 CE LYS D 50 106.275 -1.444 -36.726 1.00 0.00 C ATOM 1844 NZ LYS D 50 107.450 -2.321 -36.993 1.00 0.00 N ATOM 0 H LYS D 50 106.290 1.686 -31.609 1.00 0.00 H new ATOM 0 HA LYS D 50 107.040 1.821 -34.226 1.00 0.00 H new ATOM 0 HB2 LYS D 50 105.783 -0.032 -32.966 1.00 0.00 H new ATOM 0 HB3 LYS D 50 104.307 0.871 -33.243 1.00 0.00 H new ATOM 0 HG2 LYS D 50 104.285 -0.523 -35.134 1.00 0.00 H new ATOM 0 HG3 LYS D 50 105.129 0.864 -35.796 1.00 0.00 H new ATOM 0 HD2 LYS D 50 107.330 -0.216 -35.294 1.00 0.00 H new ATOM 0 HD3 LYS D 50 106.508 -1.589 -34.582 1.00 0.00 H new ATOM 0 HE2 LYS D 50 105.354 -2.025 -36.779 1.00 0.00 H new ATOM 0 HE3 LYS D 50 106.206 -0.667 -37.487 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 107.355 -2.752 -37.935 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 108.321 -1.754 -36.958 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 107.495 -3.070 -36.272 1.00 0.00 H new ATOM 1858 N ARG D 51 104.255 3.515 -33.777 1.00 0.00 N ATOM 1859 CA ARG D 51 103.405 4.546 -34.366 1.00 0.00 C ATOM 1860 C ARG D 51 102.770 4.034 -35.660 1.00 0.00 C ATOM 1861 O ARG D 51 101.568 3.768 -35.710 1.00 0.00 O ATOM 1862 CB ARG D 51 104.236 5.813 -34.646 1.00 0.00 C ATOM 1863 CG ARG D 51 103.346 7.061 -34.587 1.00 0.00 C ATOM 1864 CD ARG D 51 102.252 6.973 -35.653 1.00 0.00 C ATOM 1865 NE ARG D 51 101.652 8.284 -35.866 1.00 0.00 N ATOM 1866 CZ ARG D 51 102.312 9.238 -36.465 1.00 0.00 C ATOM 1867 NH1 ARG D 51 103.524 9.021 -36.896 1.00 0.00 N ATOM 1868 NH2 ARG D 51 101.758 10.406 -36.638 1.00 0.00 N ATOM 0 H ARG D 51 103.958 3.197 -32.854 1.00 0.00 H new ATOM 0 HA ARG D 51 102.609 4.792 -33.663 1.00 0.00 H new ATOM 0 HB2 ARG D 51 105.040 5.897 -33.915 1.00 0.00 H new ATOM 0 HB3 ARG D 51 104.704 5.739 -35.627 1.00 0.00 H new ATOM 0 HG2 ARG D 51 102.896 7.151 -33.598 1.00 0.00 H new ATOM 0 HG3 ARG D 51 103.948 7.955 -34.745 1.00 0.00 H new ATOM 0 HD2 ARG D 51 102.673 6.601 -36.587 1.00 0.00 H new ATOM 0 HD3 ARG D 51 101.487 6.261 -35.342 1.00 0.00 H new ATOM 0 HE ARG D 51 100.701 8.459 -35.542 1.00 0.00 H new ATOM 0 HH11 ARG D 51 103.956 8.106 -36.765 1.00 0.00 H new ATOM 0 HH12 ARG D 51 104.040 9.766 -37.364 1.00 0.00 H new ATOM 0 HH21 ARG D 51 100.809 10.574 -36.305 1.00 0.00 H new ATOM 0 HH22 ARG D 51 102.274 11.151 -37.106 1.00 0.00 H new ATOM 1882 N GLY D 52 103.570 3.899 -36.683 1.00 0.00 N ATOM 1883 CA GLY D 52 103.078 3.418 -37.969 1.00 0.00 C ATOM 1884 C GLY D 52 102.074 4.396 -38.571 1.00 0.00 C ATOM 0 H GLY D 52 104.567 4.112 -36.662 1.00 0.00 H new ATOM 0 HA2 GLY D 52 103.914 3.282 -38.655 1.00 0.00 H new ATOM 0 HA3 GLY D 52 102.609 2.442 -37.841 1.00 0.00 H new