USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 837 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 83 HIS : no HD1:sc= -2.39 X(o=-2.4,f=-2.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -31:sc= 0.928 USER MOD Single : A 4 GLN : amide:sc= -2.38! C(o=-2.4!,f=-8.3!) USER MOD Single : A 6 ASN : amide:sc= -1.67! C(o=-1.7!,f=-7.2!) USER MOD Single : A 7 SER OG : rot -64:sc= 1.05 USER MOD Single : A 8 SER OG : rot 13:sc= 0.906 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 70:sc= -1.13! USER MOD Single : A 20 GLN : amide:sc= -3.64! C(o=-3.6!,f=-9.2!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.54 X(o=-1.5,f=-2!) USER MOD Single : A 27 GLN : amide:sc= -4.82! C(o=-4.8!,f=-9.3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.671 F(o=-2.6,f=-0.67) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0914 USER MOD Single : A 37 SER OG : rot -140:sc= -1.81 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -119:sc= -0.0854 (180deg=-0.798) USER MOD Single : A 46 ASN : amide:sc= -0.417 K(o=-0.42,f=-2.5!) USER MOD Single : A 49 THR OG1 : rot 150:sc= -1.56 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -159:sc= -0.0238 (180deg=-0.178) USER MOD Single : A 54 SER OG : rot 63:sc= 0.419 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 15:sc= -2.37! USER MOD Single : A 65 SER OG : rot -27:sc= -1.15 USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 153:sc= -2.66! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0734 X(o=-0.073,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0152 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot -48:sc= 0.945 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 60.256 -15.480 13.260 1.00 0.00 N ATOM 2 CA GLY A 1 60.792 -16.731 13.868 1.00 0.00 C ATOM 3 C GLY A 1 61.832 -17.348 12.931 1.00 0.00 C ATOM 4 O GLY A 1 61.761 -18.511 12.589 1.00 0.00 O ATOM 0 H1 GLY A 1 59.549 -15.060 13.897 1.00 0.00 H new ATOM 0 H2 GLY A 1 61.033 -14.805 13.112 1.00 0.00 H new ATOM 0 H3 GLY A 1 59.811 -15.701 12.346 1.00 0.00 H new ATOM 0 HA2 GLY A 1 61.243 -16.513 14.836 1.00 0.00 H new ATOM 0 HA3 GLY A 1 59.982 -17.438 14.045 1.00 0.00 H new ATOM 10 N SER A 2 62.796 -16.576 12.511 1.00 0.00 N ATOM 11 CA SER A 2 63.838 -17.119 11.594 1.00 0.00 C ATOM 12 C SER A 2 65.221 -17.012 12.241 1.00 0.00 C ATOM 13 O SER A 2 65.677 -15.940 12.583 1.00 0.00 O ATOM 14 CB SER A 2 63.759 -16.241 10.345 1.00 0.00 C ATOM 15 OG SER A 2 64.665 -15.154 10.477 1.00 0.00 O ATOM 0 H SER A 2 62.907 -15.594 12.763 1.00 0.00 H new ATOM 0 HA SER A 2 63.678 -18.172 11.363 1.00 0.00 H new ATOM 0 HB2 SER A 2 64.003 -16.827 9.459 1.00 0.00 H new ATOM 0 HB3 SER A 2 62.743 -15.869 10.212 1.00 0.00 H new ATOM 0 HG SER A 2 64.749 -14.911 11.423 1.00 0.00 H new ATOM 21 N LEU A 3 65.895 -18.118 12.409 1.00 0.00 N ATOM 22 CA LEU A 3 67.249 -18.079 13.033 1.00 0.00 C ATOM 23 C LEU A 3 68.322 -18.388 11.985 1.00 0.00 C ATOM 24 O LEU A 3 69.504 -18.339 12.260 1.00 0.00 O ATOM 25 CB LEU A 3 67.223 -19.166 14.109 1.00 0.00 C ATOM 26 CG LEU A 3 66.344 -18.711 15.275 1.00 0.00 C ATOM 27 CD1 LEU A 3 64.872 -18.901 14.908 1.00 0.00 C ATOM 28 CD2 LEU A 3 66.669 -19.546 16.516 1.00 0.00 C ATOM 0 H LEU A 3 65.567 -19.046 12.141 1.00 0.00 H new ATOM 0 HA LEU A 3 67.483 -17.099 13.450 1.00 0.00 H new ATOM 0 HB2 LEU A 3 66.838 -20.096 13.691 1.00 0.00 H new ATOM 0 HB3 LEU A 3 68.235 -19.369 14.460 1.00 0.00 H new ATOM 0 HG LEU A 3 66.535 -17.658 15.484 1.00 0.00 H new ATOM 0 HD11 LEU A 3 64.245 -18.577 15.739 1.00 0.00 H new ATOM 0 HD12 LEU A 3 64.638 -18.308 14.024 1.00 0.00 H new ATOM 0 HD13 LEU A 3 64.682 -19.954 14.699 1.00 0.00 H new ATOM 0 HD21 LEU A 3 66.043 -19.222 17.347 1.00 0.00 H new ATOM 0 HD22 LEU A 3 66.478 -20.598 16.307 1.00 0.00 H new ATOM 0 HD23 LEU A 3 67.718 -19.413 16.779 1.00 0.00 H new ATOM 40 N GLN A 4 67.919 -18.709 10.785 1.00 0.00 N ATOM 41 CA GLN A 4 68.917 -19.022 9.722 1.00 0.00 C ATOM 42 C GLN A 4 69.566 -17.734 9.208 1.00 0.00 C ATOM 43 O GLN A 4 68.912 -16.880 8.643 1.00 0.00 O ATOM 44 CB GLN A 4 68.113 -19.700 8.611 1.00 0.00 C ATOM 45 CG GLN A 4 68.295 -21.217 8.702 1.00 0.00 C ATOM 46 CD GLN A 4 67.754 -21.716 10.044 1.00 0.00 C ATOM 47 OE1 GLN A 4 67.054 -21.002 10.732 1.00 0.00 O ATOM 48 NE2 GLN A 4 68.053 -22.921 10.446 1.00 0.00 N ATOM 0 H GLN A 4 66.943 -18.768 10.495 1.00 0.00 H new ATOM 0 HA GLN A 4 69.723 -19.658 10.087 1.00 0.00 H new ATOM 0 HB2 GLN A 4 67.058 -19.444 8.703 1.00 0.00 H new ATOM 0 HB3 GLN A 4 68.445 -19.341 7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 4 67.771 -21.707 7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 4 69.350 -21.474 8.605 1.00 0.00 H new ATOM 0 HE21 GLN A 4 68.641 -23.520 9.867 1.00 0.00 H new ATOM 0 HE22 GLN A 4 67.698 -23.263 11.339 1.00 0.00 H new ATOM 57 N ASP A 5 70.849 -17.590 9.396 1.00 0.00 N ATOM 58 CA ASP A 5 71.542 -16.359 8.917 1.00 0.00 C ATOM 59 C ASP A 5 73.021 -16.655 8.659 1.00 0.00 C ATOM 60 O ASP A 5 73.895 -16.119 9.311 1.00 0.00 O ATOM 61 CB ASP A 5 71.390 -15.348 10.054 1.00 0.00 C ATOM 62 CG ASP A 5 70.684 -14.094 9.535 1.00 0.00 C ATOM 63 OD1 ASP A 5 70.093 -14.169 8.471 1.00 0.00 O ATOM 64 OD2 ASP A 5 70.746 -13.081 10.212 1.00 0.00 O ATOM 0 H ASP A 5 71.449 -18.272 9.861 1.00 0.00 H new ATOM 0 HA ASP A 5 71.122 -15.986 7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 5 70.818 -15.788 10.871 1.00 0.00 H new ATOM 0 HB3 ASP A 5 72.369 -15.087 10.455 1.00 0.00 H new ATOM 69 N ASN A 6 73.309 -17.509 7.714 1.00 0.00 N ATOM 70 CA ASN A 6 74.732 -17.840 7.418 1.00 0.00 C ATOM 71 C ASN A 6 75.012 -17.689 5.920 1.00 0.00 C ATOM 72 O ASN A 6 74.253 -17.076 5.196 1.00 0.00 O ATOM 73 CB ASN A 6 74.896 -19.298 7.851 1.00 0.00 C ATOM 74 CG ASN A 6 73.967 -20.185 7.018 1.00 0.00 C ATOM 75 OD1 ASN A 6 73.493 -19.779 5.976 1.00 0.00 O ATOM 76 ND2 ASN A 6 73.685 -21.388 7.439 1.00 0.00 N ATOM 0 H ASN A 6 72.621 -17.991 7.135 1.00 0.00 H new ATOM 0 HA ASN A 6 75.426 -17.179 7.937 1.00 0.00 H new ATOM 0 HB2 ASN A 6 75.931 -19.613 7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 6 74.663 -19.402 8.911 1.00 0.00 H new ATOM 0 HD21 ASN A 6 73.066 -21.988 6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 6 74.083 -21.729 8.314 1.00 0.00 H new ATOM 83 N SER A 7 76.098 -18.243 5.452 1.00 0.00 N ATOM 84 CA SER A 7 76.425 -18.129 4.002 1.00 0.00 C ATOM 85 C SER A 7 76.420 -16.660 3.572 1.00 0.00 C ATOM 86 O SER A 7 75.591 -16.233 2.792 1.00 0.00 O ATOM 87 CB SER A 7 75.320 -18.902 3.284 1.00 0.00 C ATOM 88 OG SER A 7 75.370 -18.611 1.893 1.00 0.00 O ATOM 0 H SER A 7 76.771 -18.768 6.010 1.00 0.00 H new ATOM 0 HA SER A 7 77.414 -18.524 3.770 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.444 -19.972 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 7 74.346 -18.628 3.690 1.00 0.00 H new ATOM 0 HG SER A 7 75.178 -17.661 1.751 1.00 0.00 H new ATOM 94 N SER A 8 77.340 -15.882 4.074 1.00 0.00 N ATOM 95 CA SER A 8 77.387 -14.441 3.693 1.00 0.00 C ATOM 96 C SER A 8 78.625 -14.162 2.835 1.00 0.00 C ATOM 97 O SER A 8 78.973 -13.026 2.581 1.00 0.00 O ATOM 98 CB SER A 8 77.473 -13.684 5.017 1.00 0.00 C ATOM 99 OG SER A 8 78.057 -12.408 4.793 1.00 0.00 O ATOM 0 H SER A 8 78.061 -16.181 4.731 1.00 0.00 H new ATOM 0 HA SER A 8 76.519 -14.140 3.107 1.00 0.00 H new ATOM 0 HB2 SER A 8 76.479 -13.571 5.449 1.00 0.00 H new ATOM 0 HB3 SER A 8 78.069 -14.249 5.734 1.00 0.00 H new ATOM 0 HG SER A 8 78.077 -12.222 3.831 1.00 0.00 H new ATOM 105 N TYR A 9 79.289 -15.192 2.386 1.00 0.00 N ATOM 106 CA TYR A 9 80.503 -14.988 1.546 1.00 0.00 C ATOM 107 C TYR A 9 81.530 -14.124 2.287 1.00 0.00 C ATOM 108 O TYR A 9 82.080 -13.198 1.725 1.00 0.00 O ATOM 109 CB TYR A 9 80.000 -14.265 0.296 1.00 0.00 C ATOM 110 CG TYR A 9 79.900 -15.244 -0.847 1.00 0.00 C ATOM 111 CD1 TYR A 9 79.565 -16.580 -0.598 1.00 0.00 C ATOM 112 CD2 TYR A 9 80.145 -14.818 -2.158 1.00 0.00 C ATOM 113 CE1 TYR A 9 79.472 -17.489 -1.659 1.00 0.00 C ATOM 114 CE2 TYR A 9 80.052 -15.726 -3.218 1.00 0.00 C ATOM 115 CZ TYR A 9 79.716 -17.063 -2.969 1.00 0.00 C ATOM 116 OH TYR A 9 79.627 -17.959 -4.015 1.00 0.00 O ATOM 0 H TYR A 9 79.043 -16.166 2.565 1.00 0.00 H new ATOM 0 HA TYR A 9 80.998 -15.929 1.306 1.00 0.00 H new ATOM 0 HB2 TYR A 9 79.026 -13.816 0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 9 80.679 -13.453 0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 9 79.378 -16.910 0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 9 80.406 -13.788 -2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 9 79.212 -18.519 -1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 9 80.239 -15.396 -4.229 1.00 0.00 H new ATOM 0 HH TYR A 9 79.825 -17.499 -4.857 1.00 0.00 H new ATOM 126 N PRO A 10 81.755 -14.459 3.530 1.00 0.00 N ATOM 127 CA PRO A 10 82.727 -13.703 4.356 1.00 0.00 C ATOM 128 C PRO A 10 84.159 -14.042 3.936 1.00 0.00 C ATOM 129 O PRO A 10 84.459 -15.161 3.572 1.00 0.00 O ATOM 130 CB PRO A 10 82.453 -14.194 5.774 1.00 0.00 C ATOM 131 CG PRO A 10 81.849 -15.552 5.603 1.00 0.00 C ATOM 132 CD PRO A 10 81.133 -15.558 4.276 1.00 0.00 C ATOM 0 HA PRO A 10 82.624 -12.623 4.255 1.00 0.00 H new ATOM 0 HB2 PRO A 10 83.371 -14.241 6.360 1.00 0.00 H new ATOM 0 HB3 PRO A 10 81.774 -13.523 6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 10 82.620 -16.322 5.627 1.00 0.00 H new ATOM 0 HG3 PRO A 10 81.156 -15.770 6.415 1.00 0.00 H new ATOM 0 HD2 PRO A 10 81.257 -16.510 3.760 1.00 0.00 H new ATOM 0 HD3 PRO A 10 80.062 -15.400 4.400 1.00 0.00 H new ATOM 140 N ASP A 11 85.047 -13.086 3.990 1.00 0.00 N ATOM 141 CA ASP A 11 86.462 -13.352 3.598 1.00 0.00 C ATOM 142 C ASP A 11 86.512 -14.220 2.337 1.00 0.00 C ATOM 143 O ASP A 11 86.437 -15.431 2.401 1.00 0.00 O ATOM 144 CB ASP A 11 87.065 -14.099 4.788 1.00 0.00 C ATOM 145 CG ASP A 11 87.161 -13.154 5.988 1.00 0.00 C ATOM 146 OD1 ASP A 11 87.577 -12.023 5.795 1.00 0.00 O ATOM 147 OD2 ASP A 11 86.817 -13.578 7.079 1.00 0.00 O ATOM 0 H ASP A 11 84.853 -12.130 4.289 1.00 0.00 H new ATOM 0 HA ASP A 11 87.007 -12.436 3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 11 86.449 -14.962 5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 11 88.054 -14.478 4.530 1.00 0.00 H new ATOM 152 N GLU A 12 86.641 -13.612 1.189 1.00 0.00 N ATOM 153 CA GLU A 12 86.695 -14.411 -0.068 1.00 0.00 C ATOM 154 C GLU A 12 87.406 -13.628 -1.181 1.00 0.00 C ATOM 155 O GLU A 12 88.465 -14.021 -1.627 1.00 0.00 O ATOM 156 CB GLU A 12 85.234 -14.676 -0.432 1.00 0.00 C ATOM 157 CG GLU A 12 84.780 -15.990 0.206 1.00 0.00 C ATOM 158 CD GLU A 12 83.663 -16.607 -0.639 1.00 0.00 C ATOM 159 OE1 GLU A 12 82.579 -16.050 -0.649 1.00 0.00 O ATOM 160 OE2 GLU A 12 83.913 -17.628 -1.259 1.00 0.00 O ATOM 0 H GLU A 12 86.711 -12.602 1.067 1.00 0.00 H new ATOM 0 HA GLU A 12 87.256 -15.337 0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 12 84.607 -13.855 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 12 85.121 -14.727 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 12 85.620 -16.681 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 12 84.426 -15.811 1.221 1.00 0.00 H new ATOM 167 N PRO A 13 86.801 -12.545 -1.601 1.00 0.00 N ATOM 168 CA PRO A 13 87.401 -11.719 -2.677 1.00 0.00 C ATOM 169 C PRO A 13 88.791 -11.231 -2.266 1.00 0.00 C ATOM 170 O PRO A 13 89.746 -11.352 -3.007 1.00 0.00 O ATOM 171 CB PRO A 13 86.436 -10.541 -2.837 1.00 0.00 C ATOM 172 CG PRO A 13 85.534 -10.582 -1.642 1.00 0.00 C ATOM 173 CD PRO A 13 85.527 -11.996 -1.130 1.00 0.00 C ATOM 0 HA PRO A 13 87.532 -12.274 -3.606 1.00 0.00 H new ATOM 0 HB2 PRO A 13 86.978 -9.596 -2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 13 85.864 -10.628 -3.761 1.00 0.00 H new ATOM 0 HG2 PRO A 13 85.887 -9.897 -0.871 1.00 0.00 H new ATOM 0 HG3 PRO A 13 84.526 -10.267 -1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 13 85.456 -12.027 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 13 84.680 -12.559 -1.522 1.00 0.00 H new ATOM 181 N TRP A 14 88.914 -10.680 -1.091 1.00 0.00 N ATOM 182 CA TRP A 14 90.244 -10.185 -0.638 1.00 0.00 C ATOM 183 C TRP A 14 90.957 -11.263 0.182 1.00 0.00 C ATOM 184 O TRP A 14 92.045 -11.690 -0.151 1.00 0.00 O ATOM 185 CB TRP A 14 89.939 -8.963 0.227 1.00 0.00 C ATOM 186 CG TRP A 14 89.818 -7.752 -0.644 1.00 0.00 C ATOM 187 CD1 TRP A 14 90.860 -7.053 -1.151 1.00 0.00 C ATOM 188 CD2 TRP A 14 88.610 -7.088 -1.119 1.00 0.00 C ATOM 189 NE1 TRP A 14 90.369 -6.002 -1.904 1.00 0.00 N ATOM 190 CE2 TRP A 14 88.988 -5.981 -1.915 1.00 0.00 C ATOM 191 CE3 TRP A 14 87.236 -7.335 -0.937 1.00 0.00 C ATOM 192 CZ2 TRP A 14 88.038 -5.149 -2.510 1.00 0.00 C ATOM 193 CZ3 TRP A 14 86.278 -6.499 -1.535 1.00 0.00 C ATOM 194 CH2 TRP A 14 86.679 -5.409 -2.320 1.00 0.00 C ATOM 0 H TRP A 14 88.152 -10.551 -0.425 1.00 0.00 H new ATOM 0 HA TRP A 14 90.900 -9.937 -1.473 1.00 0.00 H new ATOM 0 HB2 TRP A 14 89.014 -9.119 0.782 1.00 0.00 H new ATOM 0 HB3 TRP A 14 90.731 -8.818 0.962 1.00 0.00 H new ATOM 0 HD1 TRP A 14 91.904 -7.279 -0.993 1.00 0.00 H new ATOM 0 HE1 TRP A 14 90.955 -5.325 -2.392 1.00 0.00 H new ATOM 0 HE3 TRP A 14 86.916 -8.172 -0.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 88.352 -4.310 -3.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 85.226 -6.697 -1.389 1.00 0.00 H new ATOM 0 HH2 TRP A 14 85.938 -4.771 -2.778 1.00 0.00 H new ATOM 205 N ARG A 15 90.345 -11.702 1.246 1.00 0.00 N ATOM 206 CA ARG A 15 90.973 -12.755 2.103 1.00 0.00 C ATOM 207 C ARG A 15 92.485 -12.530 2.202 1.00 0.00 C ATOM 208 O ARG A 15 93.265 -13.216 1.570 1.00 0.00 O ATOM 209 CB ARG A 15 90.676 -14.075 1.389 1.00 0.00 C ATOM 210 CG ARG A 15 89.812 -14.963 2.288 1.00 0.00 C ATOM 211 CD ARG A 15 90.562 -16.261 2.596 1.00 0.00 C ATOM 212 NE ARG A 15 89.998 -17.266 1.653 1.00 0.00 N ATOM 213 CZ ARG A 15 90.599 -18.412 1.484 1.00 0.00 C ATOM 214 NH1 ARG A 15 91.735 -18.466 0.845 1.00 0.00 N ATOM 215 NH2 ARG A 15 90.062 -19.505 1.956 1.00 0.00 N ATOM 0 H ARG A 15 89.432 -11.377 1.563 1.00 0.00 H new ATOM 0 HA ARG A 15 90.583 -12.742 3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 15 90.161 -13.883 0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 15 91.608 -14.585 1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 15 89.574 -14.439 3.214 1.00 0.00 H new ATOM 0 HG3 ARG A 15 88.865 -15.186 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 15 91.635 -16.141 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 15 90.414 -16.566 3.632 1.00 0.00 H new ATOM 0 HE ARG A 15 89.142 -17.059 1.139 1.00 0.00 H new ATOM 0 HH11 ARG A 15 92.154 -17.612 0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 15 92.204 -19.362 0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 15 89.174 -19.462 2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 15 90.531 -20.401 1.825 1.00 0.00 H new ATOM 229 N ILE A 16 92.907 -11.571 2.980 1.00 0.00 N ATOM 230 CA ILE A 16 94.370 -11.303 3.104 1.00 0.00 C ATOM 231 C ILE A 16 95.027 -12.344 4.017 1.00 0.00 C ATOM 232 O ILE A 16 94.460 -13.379 4.306 1.00 0.00 O ATOM 233 CB ILE A 16 94.486 -9.895 3.715 1.00 0.00 C ATOM 234 CG1 ILE A 16 94.387 -9.964 5.244 1.00 0.00 C ATOM 235 CG2 ILE A 16 93.366 -8.994 3.185 1.00 0.00 C ATOM 236 CD1 ILE A 16 93.117 -10.720 5.643 1.00 0.00 C ATOM 0 H ILE A 16 92.305 -10.962 3.534 1.00 0.00 H new ATOM 0 HA ILE A 16 94.875 -11.362 2.140 1.00 0.00 H new ATOM 0 HB ILE A 16 95.454 -9.482 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 16 95.264 -10.465 5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 16 94.370 -8.958 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 16 93.459 -8.001 3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 16 93.442 -8.919 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 16 92.399 -9.420 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 16 93.048 -10.768 6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 16 92.245 -10.200 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 16 93.152 -11.731 5.237 1.00 0.00 H new ATOM 248 N THR A 17 96.214 -12.067 4.480 1.00 0.00 N ATOM 249 CA THR A 17 96.901 -13.030 5.383 1.00 0.00 C ATOM 250 C THR A 17 96.818 -12.537 6.824 1.00 0.00 C ATOM 251 O THR A 17 97.820 -12.357 7.486 1.00 0.00 O ATOM 252 CB THR A 17 98.354 -13.063 4.904 1.00 0.00 C ATOM 253 OG1 THR A 17 99.004 -11.858 5.285 1.00 0.00 O ATOM 254 CG2 THR A 17 98.386 -13.204 3.382 1.00 0.00 C ATOM 0 H THR A 17 96.737 -11.216 4.272 1.00 0.00 H new ATOM 0 HA THR A 17 96.448 -14.021 5.357 1.00 0.00 H new ATOM 0 HB THR A 17 98.868 -13.911 5.356 1.00 0.00 H new ATOM 0 HG1 THR A 17 99.125 -11.845 6.257 1.00 0.00 H new ATOM 0 HG21 THR A 17 99.421 -13.228 3.040 1.00 0.00 H new ATOM 0 HG22 THR A 17 97.887 -14.129 3.092 1.00 0.00 H new ATOM 0 HG23 THR A 17 97.873 -12.357 2.927 1.00 0.00 H new ATOM 262 N GLU A 18 95.623 -12.307 7.306 1.00 0.00 N ATOM 263 CA GLU A 18 95.453 -11.810 8.703 1.00 0.00 C ATOM 264 C GLU A 18 96.543 -10.791 9.028 1.00 0.00 C ATOM 265 O GLU A 18 96.929 -10.616 10.167 1.00 0.00 O ATOM 266 CB GLU A 18 95.576 -13.050 9.593 1.00 0.00 C ATOM 267 CG GLU A 18 97.027 -13.537 9.607 1.00 0.00 C ATOM 268 CD GLU A 18 97.222 -14.523 10.760 1.00 0.00 C ATOM 269 OE1 GLU A 18 96.227 -14.977 11.299 1.00 0.00 O ATOM 270 OE2 GLU A 18 98.364 -14.805 11.084 1.00 0.00 O ATOM 0 H GLU A 18 94.754 -12.443 6.789 1.00 0.00 H new ATOM 0 HA GLU A 18 94.497 -11.309 8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 18 95.252 -12.815 10.607 1.00 0.00 H new ATOM 0 HB3 GLU A 18 94.921 -13.840 9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 18 97.270 -14.017 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 18 97.705 -12.691 9.719 1.00 0.00 H new ATOM 277 N GLU A 19 97.039 -10.112 8.030 1.00 0.00 N ATOM 278 CA GLU A 19 98.096 -9.101 8.268 1.00 0.00 C ATOM 279 C GLU A 19 97.600 -7.728 7.825 1.00 0.00 C ATOM 280 O GLU A 19 98.118 -6.705 8.227 1.00 0.00 O ATOM 281 CB GLU A 19 99.283 -9.551 7.415 1.00 0.00 C ATOM 282 CG GLU A 19 100.216 -10.422 8.258 1.00 0.00 C ATOM 283 CD GLU A 19 101.219 -9.533 8.995 1.00 0.00 C ATOM 284 OE1 GLU A 19 101.514 -8.462 8.492 1.00 0.00 O ATOM 285 OE2 GLU A 19 101.677 -9.940 10.052 1.00 0.00 O ATOM 0 H GLU A 19 96.753 -10.218 7.057 1.00 0.00 H new ATOM 0 HA GLU A 19 98.370 -9.021 9.320 1.00 0.00 H new ATOM 0 HB2 GLU A 19 98.930 -10.110 6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 19 99.822 -8.683 7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.637 -11.006 8.974 1.00 0.00 H new ATOM 0 HG3 GLU A 19 100.743 -11.131 7.620 1.00 0.00 H new ATOM 292 N GLN A 20 96.586 -7.701 7.005 1.00 0.00 N ATOM 293 CA GLN A 20 96.039 -6.396 6.539 1.00 0.00 C ATOM 294 C GLN A 20 94.634 -6.223 7.102 1.00 0.00 C ATOM 295 O GLN A 20 94.142 -5.124 7.265 1.00 0.00 O ATOM 296 CB GLN A 20 95.992 -6.456 5.003 1.00 0.00 C ATOM 297 CG GLN A 20 96.764 -7.671 4.481 1.00 0.00 C ATOM 298 CD GLN A 20 96.787 -7.646 2.951 1.00 0.00 C ATOM 299 OE1 GLN A 20 95.754 -7.709 2.315 1.00 0.00 O ATOM 300 NE2 GLN A 20 97.930 -7.554 2.328 1.00 0.00 N ATOM 0 H GLN A 20 96.113 -8.526 6.637 1.00 0.00 H new ATOM 0 HA GLN A 20 96.652 -5.557 6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 20 94.956 -6.507 4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 20 96.417 -5.543 4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 20 97.782 -7.662 4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 20 96.296 -8.590 4.833 1.00 0.00 H new ATOM 0 HE21 GLN A 20 98.798 -7.501 2.861 1.00 0.00 H new ATOM 0 HE22 GLN A 20 97.955 -7.535 1.308 1.00 0.00 H new ATOM 309 N ARG A 21 93.990 -7.313 7.408 1.00 0.00 N ATOM 310 CA ARG A 21 92.615 -7.235 7.974 1.00 0.00 C ATOM 311 C ARG A 21 92.690 -6.814 9.440 1.00 0.00 C ATOM 312 O ARG A 21 91.792 -6.187 9.966 1.00 0.00 O ATOM 313 CB ARG A 21 92.055 -8.651 7.846 1.00 0.00 C ATOM 314 CG ARG A 21 90.842 -8.807 8.768 1.00 0.00 C ATOM 315 CD ARG A 21 90.105 -10.106 8.434 1.00 0.00 C ATOM 316 NE ARG A 21 90.863 -11.172 9.144 1.00 0.00 N ATOM 317 CZ ARG A 21 90.430 -11.631 10.288 1.00 0.00 C ATOM 318 NH1 ARG A 21 89.188 -12.015 10.409 1.00 0.00 N ATOM 319 NH2 ARG A 21 91.239 -11.706 11.309 1.00 0.00 N ATOM 0 H ARG A 21 94.357 -8.257 7.290 1.00 0.00 H new ATOM 0 HA ARG A 21 91.987 -6.507 7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 21 91.768 -8.848 6.813 1.00 0.00 H new ATOM 0 HB3 ARG A 21 92.821 -9.381 8.108 1.00 0.00 H new ATOM 0 HG2 ARG A 21 91.163 -8.817 9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 21 90.171 -7.956 8.650 1.00 0.00 H new ATOM 0 HD2 ARG A 21 89.068 -10.069 8.769 1.00 0.00 H new ATOM 0 HD3 ARG A 21 90.087 -10.284 7.359 1.00 0.00 H new ATOM 0 HE ARG A 21 91.721 -11.544 8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 21 88.556 -11.957 9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 21 88.850 -12.373 11.302 1.00 0.00 H new ATOM 0 HH21 ARG A 21 92.209 -11.406 11.214 1.00 0.00 H new ATOM 0 HH22 ARG A 21 90.901 -12.064 12.202 1.00 0.00 H new ATOM 333 N GLU A 22 93.762 -7.151 10.101 1.00 0.00 N ATOM 334 CA GLU A 22 93.904 -6.765 11.534 1.00 0.00 C ATOM 335 C GLU A 22 94.093 -5.251 11.642 1.00 0.00 C ATOM 336 O GLU A 22 93.733 -4.639 12.628 1.00 0.00 O ATOM 337 CB GLU A 22 95.152 -7.502 12.025 1.00 0.00 C ATOM 338 CG GLU A 22 94.865 -9.003 12.096 1.00 0.00 C ATOM 339 CD GLU A 22 94.546 -9.396 13.539 1.00 0.00 C ATOM 340 OE1 GLU A 22 93.978 -8.578 14.243 1.00 0.00 O ATOM 341 OE2 GLU A 22 94.875 -10.510 13.916 1.00 0.00 O ATOM 0 H GLU A 22 94.545 -7.676 9.712 1.00 0.00 H new ATOM 0 HA GLU A 22 93.027 -7.024 12.126 1.00 0.00 H new ATOM 0 HB2 GLU A 22 95.988 -7.312 11.351 1.00 0.00 H new ATOM 0 HB3 GLU A 22 95.444 -7.130 13.007 1.00 0.00 H new ATOM 0 HG2 GLU A 22 94.027 -9.254 11.446 1.00 0.00 H new ATOM 0 HG3 GLU A 22 95.727 -9.566 11.737 1.00 0.00 H new ATOM 348 N TYR A 23 94.650 -4.643 10.631 1.00 0.00 N ATOM 349 CA TYR A 23 94.859 -3.169 10.669 1.00 0.00 C ATOM 350 C TYR A 23 93.523 -2.445 10.483 1.00 0.00 C ATOM 351 O TYR A 23 93.198 -1.525 11.207 1.00 0.00 O ATOM 352 CB TYR A 23 95.798 -2.871 9.500 1.00 0.00 C ATOM 353 CG TYR A 23 96.659 -1.678 9.839 1.00 0.00 C ATOM 354 CD1 TYR A 23 96.113 -0.390 9.810 1.00 0.00 C ATOM 355 CD2 TYR A 23 98.003 -1.861 10.185 1.00 0.00 C ATOM 356 CE1 TYR A 23 96.910 0.716 10.126 1.00 0.00 C ATOM 357 CE2 TYR A 23 98.801 -0.755 10.500 1.00 0.00 C ATOM 358 CZ TYR A 23 98.255 0.534 10.471 1.00 0.00 C ATOM 359 OH TYR A 23 99.041 1.624 10.784 1.00 0.00 O ATOM 0 H TYR A 23 94.970 -5.104 9.779 1.00 0.00 H new ATOM 0 HA TYR A 23 95.275 -2.833 11.619 1.00 0.00 H new ATOM 0 HB2 TYR A 23 96.425 -3.738 9.293 1.00 0.00 H new ATOM 0 HB3 TYR A 23 95.221 -2.672 8.597 1.00 0.00 H new ATOM 0 HD1 TYR A 23 95.076 -0.249 9.544 1.00 0.00 H new ATOM 0 HD2 TYR A 23 98.424 -2.855 10.209 1.00 0.00 H new ATOM 0 HE1 TYR A 23 96.488 1.710 10.104 1.00 0.00 H new ATOM 0 HE2 TYR A 23 99.838 -0.896 10.766 1.00 0.00 H new ATOM 0 HH TYR A 23 99.948 1.322 11.001 1.00 0.00 H new ATOM 369 N TYR A 24 92.743 -2.857 9.521 1.00 0.00 N ATOM 370 CA TYR A 24 91.428 -2.195 9.295 1.00 0.00 C ATOM 371 C TYR A 24 90.602 -2.220 10.584 1.00 0.00 C ATOM 372 O TYR A 24 90.075 -1.214 11.015 1.00 0.00 O ATOM 373 CB TYR A 24 90.747 -3.022 8.203 1.00 0.00 C ATOM 374 CG TYR A 24 91.689 -3.188 7.033 1.00 0.00 C ATOM 375 CD1 TYR A 24 92.578 -2.159 6.699 1.00 0.00 C ATOM 376 CD2 TYR A 24 91.672 -4.368 6.281 1.00 0.00 C ATOM 377 CE1 TYR A 24 93.450 -2.311 5.614 1.00 0.00 C ATOM 378 CE2 TYR A 24 92.543 -4.521 5.197 1.00 0.00 C ATOM 379 CZ TYR A 24 93.432 -3.492 4.862 1.00 0.00 C ATOM 380 OH TYR A 24 94.291 -3.642 3.792 1.00 0.00 O ATOM 0 H TYR A 24 92.960 -3.623 8.883 1.00 0.00 H new ATOM 0 HA TYR A 24 91.534 -1.150 9.003 1.00 0.00 H new ATOM 0 HB2 TYR A 24 90.463 -3.998 8.596 1.00 0.00 H new ATOM 0 HB3 TYR A 24 89.830 -2.530 7.878 1.00 0.00 H new ATOM 0 HD1 TYR A 24 92.591 -1.248 7.278 1.00 0.00 H new ATOM 0 HD2 TYR A 24 90.986 -5.161 6.538 1.00 0.00 H new ATOM 0 HE1 TYR A 24 94.136 -1.518 5.357 1.00 0.00 H new ATOM 0 HE2 TYR A 24 92.530 -5.433 4.618 1.00 0.00 H new ATOM 0 HH TYR A 24 94.150 -4.520 3.380 1.00 0.00 H new ATOM 390 N VAL A 25 90.490 -3.364 11.205 1.00 0.00 N ATOM 391 CA VAL A 25 89.703 -3.452 12.468 1.00 0.00 C ATOM 392 C VAL A 25 90.341 -2.575 13.549 1.00 0.00 C ATOM 393 O VAL A 25 89.662 -2.002 14.379 1.00 0.00 O ATOM 394 CB VAL A 25 89.764 -4.926 12.869 1.00 0.00 C ATOM 395 CG1 VAL A 25 88.981 -5.137 14.166 1.00 0.00 C ATOM 396 CG2 VAL A 25 89.149 -5.780 11.758 1.00 0.00 C ATOM 0 H VAL A 25 90.909 -4.240 10.892 1.00 0.00 H new ATOM 0 HA VAL A 25 88.677 -3.106 12.342 1.00 0.00 H new ATOM 0 HB VAL A 25 90.803 -5.218 13.022 1.00 0.00 H new ATOM 0 HG11 VAL A 25 89.025 -6.188 14.451 1.00 0.00 H new ATOM 0 HG12 VAL A 25 89.417 -4.528 14.958 1.00 0.00 H new ATOM 0 HG13 VAL A 25 87.942 -4.845 14.015 1.00 0.00 H new ATOM 0 HG21 VAL A 25 89.191 -6.832 12.042 1.00 0.00 H new ATOM 0 HG22 VAL A 25 88.110 -5.487 11.606 1.00 0.00 H new ATOM 0 HG23 VAL A 25 89.707 -5.631 10.833 1.00 0.00 H new ATOM 406 N ASN A 26 91.642 -2.464 13.545 1.00 0.00 N ATOM 407 CA ASN A 26 92.323 -1.624 14.570 1.00 0.00 C ATOM 408 C ASN A 26 92.017 -0.143 14.327 1.00 0.00 C ATOM 409 O ASN A 26 92.110 0.674 15.221 1.00 0.00 O ATOM 410 CB ASN A 26 93.815 -1.901 14.384 1.00 0.00 C ATOM 411 CG ASN A 26 94.598 -1.272 15.538 1.00 0.00 C ATOM 412 OD1 ASN A 26 94.310 -0.165 15.951 1.00 0.00 O ATOM 413 ND2 ASN A 26 95.583 -1.934 16.080 1.00 0.00 N ATOM 0 H ASN A 26 92.262 -2.919 12.876 1.00 0.00 H new ATOM 0 HA ASN A 26 91.990 -1.856 15.582 1.00 0.00 H new ATOM 0 HB2 ASN A 26 93.995 -2.976 14.351 1.00 0.00 H new ATOM 0 HB3 ASN A 26 94.156 -1.492 13.433 1.00 0.00 H new ATOM 0 HD21 ASN A 26 96.111 -1.523 16.850 1.00 0.00 H new ATOM 0 HD22 ASN A 26 95.825 -2.863 15.734 1.00 0.00 H new ATOM 420 N GLN A 27 91.648 0.207 13.126 1.00 0.00 N ATOM 421 CA GLN A 27 91.333 1.629 12.828 1.00 0.00 C ATOM 422 C GLN A 27 89.944 1.968 13.384 1.00 0.00 C ATOM 423 O GLN A 27 89.791 2.861 14.195 1.00 0.00 O ATOM 424 CB GLN A 27 91.379 1.714 11.293 1.00 0.00 C ATOM 425 CG GLN A 27 90.305 2.671 10.773 1.00 0.00 C ATOM 426 CD GLN A 27 90.542 4.066 11.353 1.00 0.00 C ATOM 427 OE1 GLN A 27 89.860 4.478 12.271 1.00 0.00 O ATOM 428 NE2 GLN A 27 91.486 4.817 10.855 1.00 0.00 N ATOM 0 H GLN A 27 91.551 -0.433 12.338 1.00 0.00 H new ATOM 0 HA GLN A 27 92.025 2.338 13.282 1.00 0.00 H new ATOM 0 HB2 GLN A 27 92.363 2.055 10.972 1.00 0.00 H new ATOM 0 HB3 GLN A 27 91.229 0.723 10.864 1.00 0.00 H new ATOM 0 HG2 GLN A 27 90.333 2.709 9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 27 89.315 2.312 11.055 1.00 0.00 H new ATOM 0 HE21 GLN A 27 92.059 4.472 10.085 1.00 0.00 H new ATOM 0 HE22 GLN A 27 91.651 5.749 11.236 1.00 0.00 H new ATOM 437 N PHE A 28 88.934 1.258 12.963 1.00 0.00 N ATOM 438 CA PHE A 28 87.564 1.535 13.477 1.00 0.00 C ATOM 439 C PHE A 28 87.588 1.570 15.006 1.00 0.00 C ATOM 440 O PHE A 28 86.807 2.256 15.635 1.00 0.00 O ATOM 441 CB PHE A 28 86.712 0.367 12.967 1.00 0.00 C ATOM 442 CG PHE A 28 85.364 0.358 13.654 1.00 0.00 C ATOM 443 CD1 PHE A 28 85.265 0.042 15.017 1.00 0.00 C ATOM 444 CD2 PHE A 28 84.208 0.656 12.923 1.00 0.00 C ATOM 445 CE1 PHE A 28 84.014 0.027 15.643 1.00 0.00 C ATOM 446 CE2 PHE A 28 82.957 0.639 13.550 1.00 0.00 C ATOM 447 CZ PHE A 28 82.860 0.325 14.911 1.00 0.00 C ATOM 0 H PHE A 28 88.998 0.498 12.285 1.00 0.00 H new ATOM 0 HA PHE A 28 87.170 2.495 13.143 1.00 0.00 H new ATOM 0 HB2 PHE A 28 86.577 0.451 11.889 1.00 0.00 H new ATOM 0 HB3 PHE A 28 87.228 -0.575 13.152 1.00 0.00 H new ATOM 0 HD1 PHE A 28 86.155 -0.190 15.583 1.00 0.00 H new ATOM 0 HD2 PHE A 28 84.282 0.899 11.873 1.00 0.00 H new ATOM 0 HE1 PHE A 28 83.939 -0.215 16.693 1.00 0.00 H new ATOM 0 HE2 PHE A 28 82.066 0.868 12.984 1.00 0.00 H new ATOM 0 HZ PHE A 28 81.895 0.313 15.395 1.00 0.00 H new ATOM 457 N ARG A 29 88.482 0.833 15.609 1.00 0.00 N ATOM 458 CA ARG A 29 88.561 0.820 17.098 1.00 0.00 C ATOM 459 C ARG A 29 89.005 2.192 17.612 1.00 0.00 C ATOM 460 O ARG A 29 88.452 2.719 18.556 1.00 0.00 O ATOM 461 CB ARG A 29 89.607 -0.245 17.431 1.00 0.00 C ATOM 462 CG ARG A 29 89.787 -0.331 18.948 1.00 0.00 C ATOM 463 CD ARG A 29 91.278 -0.288 19.288 1.00 0.00 C ATOM 464 NE ARG A 29 91.518 1.091 19.795 1.00 0.00 N ATOM 465 CZ ARG A 29 92.737 1.508 20.004 1.00 0.00 C ATOM 466 NH1 ARG A 29 93.484 0.919 20.898 1.00 0.00 N ATOM 467 NH2 ARG A 29 93.210 2.513 19.319 1.00 0.00 N ATOM 0 H ARG A 29 89.162 0.239 15.134 1.00 0.00 H new ATOM 0 HA ARG A 29 87.599 0.602 17.563 1.00 0.00 H new ATOM 0 HB2 ARG A 29 89.295 -1.212 17.036 1.00 0.00 H new ATOM 0 HB3 ARG A 29 90.556 0.002 16.955 1.00 0.00 H new ATOM 0 HG2 ARG A 29 89.268 0.495 19.434 1.00 0.00 H new ATOM 0 HG3 ARG A 29 89.343 -1.252 19.326 1.00 0.00 H new ATOM 0 HD2 ARG A 29 91.533 -1.035 20.040 1.00 0.00 H new ATOM 0 HD3 ARG A 29 91.889 -0.498 18.410 1.00 0.00 H new ATOM 0 HE ARG A 29 90.729 1.711 19.979 1.00 0.00 H new ATOM 0 HH11 ARG A 29 93.115 0.133 21.433 1.00 0.00 H new ATOM 0 HH12 ARG A 29 94.437 1.245 21.061 1.00 0.00 H new ATOM 0 HH21 ARG A 29 92.627 2.973 18.620 1.00 0.00 H new ATOM 0 HH22 ARG A 29 94.163 2.838 19.483 1.00 0.00 H new ATOM 481 N SER A 30 89.996 2.779 16.996 1.00 0.00 N ATOM 482 CA SER A 30 90.461 4.118 17.452 1.00 0.00 C ATOM 483 C SER A 30 89.267 5.070 17.547 1.00 0.00 C ATOM 484 O SER A 30 89.216 5.939 18.394 1.00 0.00 O ATOM 485 CB SER A 30 91.442 4.588 16.378 1.00 0.00 C ATOM 486 OG SER A 30 92.627 3.807 16.452 1.00 0.00 O ATOM 0 H SER A 30 90.501 2.390 16.200 1.00 0.00 H new ATOM 0 HA SER A 30 90.930 4.086 18.436 1.00 0.00 H new ATOM 0 HB2 SER A 30 90.991 4.493 15.390 1.00 0.00 H new ATOM 0 HB3 SER A 30 91.678 5.643 16.521 1.00 0.00 H new ATOM 0 HG SER A 30 93.258 4.104 15.764 1.00 0.00 H new ATOM 492 N LEU A 31 88.303 4.904 16.682 1.00 0.00 N ATOM 493 CA LEU A 31 87.106 5.786 16.719 1.00 0.00 C ATOM 494 C LEU A 31 86.040 5.177 17.633 1.00 0.00 C ATOM 495 O LEU A 31 85.177 5.862 18.144 1.00 0.00 O ATOM 496 CB LEU A 31 86.604 5.840 15.275 1.00 0.00 C ATOM 497 CG LEU A 31 87.758 6.206 14.338 1.00 0.00 C ATOM 498 CD1 LEU A 31 87.501 5.608 12.954 1.00 0.00 C ATOM 499 CD2 LEU A 31 87.856 7.729 14.222 1.00 0.00 C ATOM 0 H LEU A 31 88.295 4.193 15.950 1.00 0.00 H new ATOM 0 HA LEU A 31 87.335 6.779 17.105 1.00 0.00 H new ATOM 0 HB2 LEU A 31 86.184 4.875 14.990 1.00 0.00 H new ATOM 0 HB3 LEU A 31 85.804 6.575 15.186 1.00 0.00 H new ATOM 0 HG LEU A 31 88.691 5.809 14.739 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.323 5.869 12.287 1.00 0.00 H new ATOM 0 HD12 LEU A 31 87.429 4.523 13.034 1.00 0.00 H new ATOM 0 HD13 LEU A 31 86.568 6.005 12.553 1.00 0.00 H new ATOM 0 HD21 LEU A 31 88.677 7.991 13.555 1.00 0.00 H new ATOM 0 HD22 LEU A 31 86.923 8.124 13.821 1.00 0.00 H new ATOM 0 HD23 LEU A 31 88.038 8.158 15.207 1.00 0.00 H new ATOM 511 N GLN A 32 86.099 3.889 17.842 1.00 0.00 N ATOM 512 CA GLN A 32 85.098 3.225 18.721 1.00 0.00 C ATOM 513 C GLN A 32 85.793 2.606 19.937 1.00 0.00 C ATOM 514 O GLN A 32 86.527 1.646 19.809 1.00 0.00 O ATOM 515 CB GLN A 32 84.467 2.137 17.849 1.00 0.00 C ATOM 516 CG GLN A 32 83.043 2.549 17.466 1.00 0.00 C ATOM 517 CD GLN A 32 82.225 2.804 18.734 1.00 0.00 C ATOM 518 OE1 GLN A 32 82.577 2.227 19.850 1.00 0.00 O flip ATOM 519 NE2 GLN A 32 81.257 3.539 18.709 1.00 0.00 N flip ATOM 0 H GLN A 32 86.801 3.268 17.440 1.00 0.00 H new ATOM 0 HA GLN A 32 84.353 3.923 19.103 1.00 0.00 H new ATOM 0 HB2 GLN A 32 85.066 1.983 16.951 1.00 0.00 H new ATOM 0 HB3 GLN A 32 84.450 1.189 18.387 1.00 0.00 H new ATOM 0 HG2 GLN A 32 83.067 3.448 16.849 1.00 0.00 H new ATOM 0 HG3 GLN A 32 82.575 1.766 16.870 1.00 0.00 H new ATOM 0 HE21 GLN A 32 80.982 3.990 17.837 1.00 0.00 H new ATOM 0 HE22 GLN A 32 80.720 3.705 19.560 1.00 0.00 H new ATOM 528 N PRO A 33 85.536 3.180 21.082 1.00 0.00 N ATOM 529 CA PRO A 33 86.145 2.677 22.337 1.00 0.00 C ATOM 530 C PRO A 33 85.929 1.167 22.460 1.00 0.00 C ATOM 531 O PRO A 33 86.745 0.455 23.010 1.00 0.00 O ATOM 532 CB PRO A 33 85.395 3.428 23.435 1.00 0.00 C ATOM 533 CG PRO A 33 84.843 4.652 22.773 1.00 0.00 C ATOM 534 CD PRO A 33 84.662 4.335 21.311 1.00 0.00 C ATOM 0 HA PRO A 33 87.222 2.838 22.385 1.00 0.00 H new ATOM 0 HB2 PRO A 33 84.598 2.815 23.856 1.00 0.00 H new ATOM 0 HB3 PRO A 33 86.061 3.692 24.256 1.00 0.00 H new ATOM 0 HG2 PRO A 33 83.892 4.936 23.224 1.00 0.00 H new ATOM 0 HG3 PRO A 33 85.521 5.496 22.901 1.00 0.00 H new ATOM 0 HD2 PRO A 33 83.623 4.100 21.080 1.00 0.00 H new ATOM 0 HD3 PRO A 33 84.945 5.179 20.682 1.00 0.00 H new ATOM 542 N ASP A 34 84.837 0.676 21.946 1.00 0.00 N ATOM 543 CA ASP A 34 84.565 -0.784 22.024 1.00 0.00 C ATOM 544 C ASP A 34 85.052 -1.474 20.745 1.00 0.00 C ATOM 545 O ASP A 34 84.563 -1.196 19.669 1.00 0.00 O ATOM 546 CB ASP A 34 83.045 -0.898 22.149 1.00 0.00 C ATOM 547 CG ASP A 34 82.665 -1.079 23.620 1.00 0.00 C ATOM 548 OD1 ASP A 34 83.545 -1.390 24.405 1.00 0.00 O ATOM 549 OD2 ASP A 34 81.500 -0.902 23.936 1.00 0.00 O ATOM 0 H ASP A 34 84.119 1.226 21.474 1.00 0.00 H new ATOM 0 HA ASP A 34 85.077 -1.259 22.861 1.00 0.00 H new ATOM 0 HB2 ASP A 34 82.569 -0.004 21.747 1.00 0.00 H new ATOM 0 HB3 ASP A 34 82.684 -1.743 21.563 1.00 0.00 H new ATOM 554 N PRO A 35 86.003 -2.354 20.908 1.00 0.00 N ATOM 555 CA PRO A 35 86.557 -3.090 19.745 1.00 0.00 C ATOM 556 C PRO A 35 85.425 -3.740 18.947 1.00 0.00 C ATOM 557 O PRO A 35 85.336 -3.595 17.744 1.00 0.00 O ATOM 558 CB PRO A 35 87.459 -4.152 20.372 1.00 0.00 C ATOM 559 CG PRO A 35 87.761 -3.660 21.754 1.00 0.00 C ATOM 560 CD PRO A 35 86.638 -2.744 22.169 1.00 0.00 C ATOM 0 HA PRO A 35 87.097 -2.446 19.051 1.00 0.00 H new ATOM 0 HB2 PRO A 35 86.961 -5.121 20.401 1.00 0.00 H new ATOM 0 HB3 PRO A 35 88.374 -4.281 19.793 1.00 0.00 H new ATOM 0 HG2 PRO A 35 87.848 -4.497 22.447 1.00 0.00 H new ATOM 0 HG3 PRO A 35 88.713 -3.130 21.772 1.00 0.00 H new ATOM 0 HD2 PRO A 35 85.934 -3.252 22.828 1.00 0.00 H new ATOM 0 HD3 PRO A 35 87.013 -1.876 22.711 1.00 0.00 H new ATOM 568 N SER A 36 84.556 -4.452 19.610 1.00 0.00 N ATOM 569 CA SER A 36 83.426 -5.107 18.893 1.00 0.00 C ATOM 570 C SER A 36 82.167 -4.240 18.994 1.00 0.00 C ATOM 571 O SER A 36 81.157 -4.657 19.525 1.00 0.00 O ATOM 572 CB SER A 36 83.218 -6.439 19.613 1.00 0.00 C ATOM 573 OG SER A 36 83.417 -6.253 21.008 1.00 0.00 O ATOM 0 H SER A 36 84.580 -4.609 20.618 1.00 0.00 H new ATOM 0 HA SER A 36 83.634 -5.247 17.832 1.00 0.00 H new ATOM 0 HB2 SER A 36 82.212 -6.815 19.424 1.00 0.00 H new ATOM 0 HB3 SER A 36 83.914 -7.185 19.231 1.00 0.00 H new ATOM 0 HG SER A 36 83.283 -7.105 21.474 1.00 0.00 H new ATOM 579 N SER A 37 82.221 -3.037 18.491 1.00 0.00 N ATOM 580 CA SER A 37 81.028 -2.146 18.562 1.00 0.00 C ATOM 581 C SER A 37 80.757 -1.504 17.198 1.00 0.00 C ATOM 582 O SER A 37 81.496 -1.696 16.252 1.00 0.00 O ATOM 583 CB SER A 37 81.392 -1.079 19.592 1.00 0.00 C ATOM 584 OG SER A 37 80.685 -1.332 20.800 1.00 0.00 O ATOM 0 H SER A 37 83.039 -2.633 18.034 1.00 0.00 H new ATOM 0 HA SER A 37 80.125 -2.691 18.838 1.00 0.00 H new ATOM 0 HB2 SER A 37 82.466 -1.087 19.777 1.00 0.00 H new ATOM 0 HB3 SER A 37 81.142 -0.089 19.211 1.00 0.00 H new ATOM 0 HG SER A 37 80.377 -0.484 21.182 1.00 0.00 H new ATOM 590 N PHE A 38 79.702 -0.744 17.093 1.00 0.00 N ATOM 591 CA PHE A 38 79.376 -0.085 15.794 1.00 0.00 C ATOM 592 C PHE A 38 79.653 1.418 15.878 1.00 0.00 C ATOM 593 O PHE A 38 79.661 2.000 16.945 1.00 0.00 O ATOM 594 CB PHE A 38 77.880 -0.340 15.593 1.00 0.00 C ATOM 595 CG PHE A 38 77.093 0.417 16.635 1.00 0.00 C ATOM 596 CD1 PHE A 38 76.921 1.801 16.515 1.00 0.00 C ATOM 597 CD2 PHE A 38 76.534 -0.266 17.722 1.00 0.00 C ATOM 598 CE1 PHE A 38 76.190 2.502 17.482 1.00 0.00 C ATOM 599 CE2 PHE A 38 75.802 0.434 18.688 1.00 0.00 C ATOM 600 CZ PHE A 38 75.631 1.819 18.569 1.00 0.00 C ATOM 0 H PHE A 38 79.049 -0.550 17.852 1.00 0.00 H new ATOM 0 HA PHE A 38 79.975 -0.473 14.970 1.00 0.00 H new ATOM 0 HB2 PHE A 38 77.578 -0.025 14.594 1.00 0.00 H new ATOM 0 HB3 PHE A 38 77.669 -1.407 15.668 1.00 0.00 H new ATOM 0 HD1 PHE A 38 77.352 2.328 15.677 1.00 0.00 H new ATOM 0 HD2 PHE A 38 76.668 -1.334 17.815 1.00 0.00 H new ATOM 0 HE1 PHE A 38 76.057 3.570 17.389 1.00 0.00 H new ATOM 0 HE2 PHE A 38 75.369 -0.094 19.525 1.00 0.00 H new ATOM 0 HZ PHE A 38 75.068 2.360 19.315 1.00 0.00 H new ATOM 610 N ILE A 39 79.875 2.053 14.760 1.00 0.00 N ATOM 611 CA ILE A 39 80.146 3.520 14.773 1.00 0.00 C ATOM 612 C ILE A 39 78.834 4.289 14.567 1.00 0.00 C ATOM 613 O ILE A 39 77.858 3.749 14.090 1.00 0.00 O ATOM 614 CB ILE A 39 81.125 3.746 13.613 1.00 0.00 C ATOM 615 CG1 ILE A 39 82.554 3.523 14.112 1.00 0.00 C ATOM 616 CG2 ILE A 39 81.000 5.175 13.083 1.00 0.00 C ATOM 617 CD1 ILE A 39 83.496 3.368 12.916 1.00 0.00 C ATOM 0 H ILE A 39 79.881 1.620 13.837 1.00 0.00 H new ATOM 0 HA ILE A 39 80.564 3.871 15.716 1.00 0.00 H new ATOM 0 HB ILE A 39 80.891 3.046 12.811 1.00 0.00 H new ATOM 0 HG12 ILE A 39 82.870 4.364 14.730 1.00 0.00 H new ATOM 0 HG13 ILE A 39 82.596 2.633 14.739 1.00 0.00 H new ATOM 0 HG21 ILE A 39 81.700 5.321 12.261 1.00 0.00 H new ATOM 0 HG22 ILE A 39 79.983 5.344 12.728 1.00 0.00 H new ATOM 0 HG23 ILE A 39 81.227 5.881 13.882 1.00 0.00 H new ATOM 0 HD11 ILE A 39 84.514 3.209 13.273 1.00 0.00 H new ATOM 0 HD12 ILE A 39 83.184 2.513 12.316 1.00 0.00 H new ATOM 0 HD13 ILE A 39 83.462 4.271 12.307 1.00 0.00 H new ATOM 629 N SER A 40 78.801 5.542 14.937 1.00 0.00 N ATOM 630 CA SER A 40 77.548 6.338 14.774 1.00 0.00 C ATOM 631 C SER A 40 77.384 6.806 13.324 1.00 0.00 C ATOM 632 O SER A 40 76.285 7.017 12.852 1.00 0.00 O ATOM 633 CB SER A 40 77.722 7.538 15.705 1.00 0.00 C ATOM 634 OG SER A 40 77.673 7.095 17.055 1.00 0.00 O ATOM 0 H SER A 40 79.587 6.049 15.345 1.00 0.00 H new ATOM 0 HA SER A 40 76.660 5.753 15.013 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.673 8.032 15.506 1.00 0.00 H new ATOM 0 HB3 SER A 40 76.937 8.272 15.522 1.00 0.00 H new ATOM 0 HG SER A 40 77.786 7.861 17.655 1.00 0.00 H new ATOM 640 N GLY A 41 78.466 6.969 12.617 1.00 0.00 N ATOM 641 CA GLY A 41 78.370 7.424 11.201 1.00 0.00 C ATOM 642 C GLY A 41 79.325 8.596 10.972 1.00 0.00 C ATOM 643 O GLY A 41 80.419 8.429 10.473 1.00 0.00 O ATOM 0 H GLY A 41 79.414 6.807 12.958 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.617 6.604 10.527 1.00 0.00 H new ATOM 0 HA3 GLY A 41 77.347 7.726 10.974 1.00 0.00 H new ATOM 647 N SER A 42 78.918 9.784 11.329 1.00 0.00 N ATOM 648 CA SER A 42 79.802 10.968 11.128 1.00 0.00 C ATOM 649 C SER A 42 81.169 10.726 11.775 1.00 0.00 C ATOM 650 O SER A 42 82.162 11.311 11.389 1.00 0.00 O ATOM 651 CB SER A 42 79.079 12.124 11.817 1.00 0.00 C ATOM 652 OG SER A 42 79.625 12.311 13.116 1.00 0.00 O ATOM 0 H SER A 42 78.012 9.986 11.751 1.00 0.00 H new ATOM 0 HA SER A 42 79.984 11.172 10.073 1.00 0.00 H new ATOM 0 HB2 SER A 42 79.186 13.036 11.230 1.00 0.00 H new ATOM 0 HB3 SER A 42 78.012 11.912 11.885 1.00 0.00 H new ATOM 0 HG SER A 42 79.165 13.053 13.561 1.00 0.00 H new ATOM 658 N VAL A 43 81.228 9.868 12.756 1.00 0.00 N ATOM 659 CA VAL A 43 82.532 9.592 13.428 1.00 0.00 C ATOM 660 C VAL A 43 83.548 9.050 12.417 1.00 0.00 C ATOM 661 O VAL A 43 84.659 9.531 12.321 1.00 0.00 O ATOM 662 CB VAL A 43 82.217 8.537 14.487 1.00 0.00 C ATOM 663 CG1 VAL A 43 83.522 7.913 14.989 1.00 0.00 C ATOM 664 CG2 VAL A 43 81.484 9.194 15.658 1.00 0.00 C ATOM 0 H VAL A 43 80.432 9.346 13.122 1.00 0.00 H new ATOM 0 HA VAL A 43 82.968 10.491 13.864 1.00 0.00 H new ATOM 0 HB VAL A 43 81.587 7.762 14.052 1.00 0.00 H new ATOM 0 HG11 VAL A 43 83.298 7.160 15.745 1.00 0.00 H new ATOM 0 HG12 VAL A 43 84.046 7.446 14.155 1.00 0.00 H new ATOM 0 HG13 VAL A 43 84.152 8.688 15.425 1.00 0.00 H new ATOM 0 HG21 VAL A 43 81.259 8.442 16.414 1.00 0.00 H new ATOM 0 HG22 VAL A 43 82.115 9.969 16.093 1.00 0.00 H new ATOM 0 HG23 VAL A 43 80.555 9.640 15.302 1.00 0.00 H new ATOM 674 N ALA A 44 83.176 8.049 11.668 1.00 0.00 N ATOM 675 CA ALA A 44 84.123 7.475 10.670 1.00 0.00 C ATOM 676 C ALA A 44 84.189 8.362 9.425 1.00 0.00 C ATOM 677 O ALA A 44 85.244 8.584 8.872 1.00 0.00 O ATOM 678 CB ALA A 44 83.545 6.104 10.318 1.00 0.00 C ATOM 0 H ALA A 44 82.259 7.604 11.703 1.00 0.00 H new ATOM 0 HA ALA A 44 85.138 7.404 11.062 1.00 0.00 H new ATOM 0 HB1 ALA A 44 84.188 5.615 9.585 1.00 0.00 H new ATOM 0 HB2 ALA A 44 83.489 5.491 11.218 1.00 0.00 H new ATOM 0 HB3 ALA A 44 82.546 6.227 9.900 1.00 0.00 H new ATOM 684 N LYS A 45 83.072 8.865 8.978 1.00 0.00 N ATOM 685 CA LYS A 45 83.078 9.733 7.764 1.00 0.00 C ATOM 686 C LYS A 45 83.979 10.950 7.983 1.00 0.00 C ATOM 687 O LYS A 45 84.385 11.612 7.048 1.00 0.00 O ATOM 688 CB LYS A 45 81.624 10.169 7.582 1.00 0.00 C ATOM 689 CG LYS A 45 81.082 9.589 6.275 1.00 0.00 C ATOM 690 CD LYS A 45 79.568 9.803 6.207 1.00 0.00 C ATOM 691 CE LYS A 45 79.274 11.232 5.750 1.00 0.00 C ATOM 692 NZ LYS A 45 79.612 11.249 4.300 1.00 0.00 N ATOM 0 H LYS A 45 82.155 8.714 9.399 1.00 0.00 H new ATOM 0 HA LYS A 45 83.461 9.211 6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.021 9.826 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 45 81.558 11.257 7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.566 10.069 5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 45 81.312 8.525 6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 45 79.120 9.089 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 45 79.121 9.623 7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 45 78.228 11.492 5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 45 79.873 11.955 6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 80.372 11.938 4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 79.929 10.303 4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 78.771 11.518 3.751 1.00 0.00 H new ATOM 706 N ASN A 46 84.292 11.252 9.211 1.00 0.00 N ATOM 707 CA ASN A 46 85.164 12.430 9.490 1.00 0.00 C ATOM 708 C ASN A 46 86.577 12.190 8.948 1.00 0.00 C ATOM 709 O ASN A 46 87.138 13.025 8.267 1.00 0.00 O ATOM 710 CB ASN A 46 85.186 12.553 11.015 1.00 0.00 C ATOM 711 CG ASN A 46 85.784 13.905 11.409 1.00 0.00 C ATOM 712 OD1 ASN A 46 86.714 14.377 10.785 1.00 0.00 O ATOM 713 ND2 ASN A 46 85.287 14.553 12.428 1.00 0.00 N ATOM 0 H ASN A 46 83.983 10.736 10.035 1.00 0.00 H new ATOM 0 HA ASN A 46 84.795 13.338 9.012 1.00 0.00 H new ATOM 0 HB2 ASN A 46 84.175 12.461 11.413 1.00 0.00 H new ATOM 0 HB3 ASN A 46 85.774 11.743 11.447 1.00 0.00 H new ATOM 0 HD21 ASN A 46 85.679 15.455 12.700 1.00 0.00 H new ATOM 0 HD22 ASN A 46 84.506 14.158 12.952 1.00 0.00 H new ATOM 720 N PHE A 47 87.159 11.060 9.247 1.00 0.00 N ATOM 721 CA PHE A 47 88.535 10.777 8.751 1.00 0.00 C ATOM 722 C PHE A 47 88.483 10.017 7.417 1.00 0.00 C ATOM 723 O PHE A 47 89.466 9.917 6.710 1.00 0.00 O ATOM 724 CB PHE A 47 89.189 9.936 9.859 1.00 0.00 C ATOM 725 CG PHE A 47 88.910 8.468 9.641 1.00 0.00 C ATOM 726 CD1 PHE A 47 89.789 7.698 8.872 1.00 0.00 C ATOM 727 CD2 PHE A 47 87.773 7.880 10.206 1.00 0.00 C ATOM 728 CE1 PHE A 47 89.533 6.339 8.668 1.00 0.00 C ATOM 729 CE2 PHE A 47 87.516 6.520 10.002 1.00 0.00 C ATOM 730 CZ PHE A 47 88.396 5.749 9.234 1.00 0.00 C ATOM 0 H PHE A 47 86.741 10.322 9.813 1.00 0.00 H new ATOM 0 HA PHE A 47 89.103 11.686 8.553 1.00 0.00 H new ATOM 0 HB2 PHE A 47 90.265 10.110 9.869 1.00 0.00 H new ATOM 0 HB3 PHE A 47 88.807 10.245 10.832 1.00 0.00 H new ATOM 0 HD1 PHE A 47 90.666 8.154 8.436 1.00 0.00 H new ATOM 0 HD2 PHE A 47 87.095 8.475 10.799 1.00 0.00 H new ATOM 0 HE1 PHE A 47 90.212 5.744 8.074 1.00 0.00 H new ATOM 0 HE2 PHE A 47 86.638 6.065 10.437 1.00 0.00 H new ATOM 0 HZ PHE A 47 88.198 4.699 9.078 1.00 0.00 H new ATOM 740 N PHE A 48 87.344 9.481 7.071 1.00 0.00 N ATOM 741 CA PHE A 48 87.228 8.730 5.787 1.00 0.00 C ATOM 742 C PHE A 48 87.776 9.572 4.632 1.00 0.00 C ATOM 743 O PHE A 48 88.518 9.092 3.799 1.00 0.00 O ATOM 744 CB PHE A 48 85.729 8.483 5.607 1.00 0.00 C ATOM 745 CG PHE A 48 85.370 7.133 6.181 1.00 0.00 C ATOM 746 CD1 PHE A 48 86.036 6.661 7.318 1.00 0.00 C ATOM 747 CD2 PHE A 48 84.372 6.354 5.581 1.00 0.00 C ATOM 748 CE1 PHE A 48 85.707 5.412 7.854 1.00 0.00 C ATOM 749 CE2 PHE A 48 84.042 5.104 6.118 1.00 0.00 C ATOM 750 CZ PHE A 48 84.710 4.633 7.255 1.00 0.00 C ATOM 0 H PHE A 48 86.487 9.531 7.622 1.00 0.00 H new ATOM 0 HA PHE A 48 87.796 7.800 5.799 1.00 0.00 H new ATOM 0 HB2 PHE A 48 85.158 9.266 6.106 1.00 0.00 H new ATOM 0 HB3 PHE A 48 85.467 8.522 4.550 1.00 0.00 H new ATOM 0 HD1 PHE A 48 86.804 7.262 7.782 1.00 0.00 H new ATOM 0 HD2 PHE A 48 83.857 6.718 4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 48 86.222 5.048 8.731 1.00 0.00 H new ATOM 0 HE2 PHE A 48 83.273 4.503 5.656 1.00 0.00 H new ATOM 0 HZ PHE A 48 84.456 3.669 7.670 1.00 0.00 H new ATOM 760 N THR A 49 87.414 10.825 4.575 1.00 0.00 N ATOM 761 CA THR A 49 87.913 11.692 3.475 1.00 0.00 C ATOM 762 C THR A 49 88.898 12.726 4.021 1.00 0.00 C ATOM 763 O THR A 49 88.805 13.901 3.723 1.00 0.00 O ATOM 764 CB THR A 49 86.671 12.384 2.912 1.00 0.00 C ATOM 765 OG1 THR A 49 87.046 13.200 1.810 1.00 0.00 O ATOM 766 CG2 THR A 49 86.031 13.253 3.996 1.00 0.00 C ATOM 0 H THR A 49 86.795 11.284 5.243 1.00 0.00 H new ATOM 0 HA THR A 49 88.441 11.120 2.712 1.00 0.00 H new ATOM 0 HB THR A 49 85.954 11.632 2.583 1.00 0.00 H new ATOM 0 HG1 THR A 49 86.302 13.254 1.175 1.00 0.00 H new ATOM 0 HG21 THR A 49 85.146 13.745 3.592 1.00 0.00 H new ATOM 0 HG22 THR A 49 85.745 12.628 4.842 1.00 0.00 H new ATOM 0 HG23 THR A 49 86.746 14.006 4.327 1.00 0.00 H new ATOM 774 N LYS A 50 89.845 12.302 4.812 1.00 0.00 N ATOM 775 CA LYS A 50 90.837 13.270 5.364 1.00 0.00 C ATOM 776 C LYS A 50 91.294 14.218 4.255 1.00 0.00 C ATOM 777 O LYS A 50 91.687 15.342 4.502 1.00 0.00 O ATOM 778 CB LYS A 50 92.003 12.412 5.854 1.00 0.00 C ATOM 779 CG LYS A 50 92.336 11.351 4.805 1.00 0.00 C ATOM 780 CD LYS A 50 93.797 10.920 4.957 1.00 0.00 C ATOM 781 CE LYS A 50 93.855 9.432 5.310 1.00 0.00 C ATOM 782 NZ LYS A 50 95.281 9.175 5.659 1.00 0.00 N ATOM 0 H LYS A 50 89.975 11.332 5.099 1.00 0.00 H new ATOM 0 HA LYS A 50 90.426 13.882 6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 50 92.875 13.039 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 50 91.744 11.935 6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 50 91.678 10.490 4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 50 92.166 11.748 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 50 94.341 11.107 4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 50 94.282 11.509 5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 50 93.196 9.198 6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 50 93.536 8.814 4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 95.401 8.174 5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 95.884 9.400 4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 95.554 9.772 6.466 1.00 0.00 H new ATOM 796 N SER A 51 91.236 13.770 3.029 1.00 0.00 N ATOM 797 CA SER A 51 91.655 14.634 1.891 1.00 0.00 C ATOM 798 C SER A 51 90.913 14.204 0.625 1.00 0.00 C ATOM 799 O SER A 51 91.499 14.058 -0.429 1.00 0.00 O ATOM 800 CB SER A 51 93.156 14.397 1.742 1.00 0.00 C ATOM 801 OG SER A 51 93.408 12.997 1.694 1.00 0.00 O ATOM 0 H SER A 51 90.915 12.838 2.767 1.00 0.00 H new ATOM 0 HA SER A 51 91.431 15.688 2.058 1.00 0.00 H new ATOM 0 HB2 SER A 51 93.523 14.876 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 51 93.692 14.846 2.578 1.00 0.00 H new ATOM 0 HG SER A 51 94.371 12.841 1.597 1.00 0.00 H new ATOM 807 N LYS A 52 89.625 13.990 0.730 1.00 0.00 N ATOM 808 CA LYS A 52 88.828 13.555 -0.454 1.00 0.00 C ATOM 809 C LYS A 52 89.630 12.555 -1.290 1.00 0.00 C ATOM 810 O LYS A 52 89.465 12.461 -2.489 1.00 0.00 O ATOM 811 CB LYS A 52 88.547 14.834 -1.249 1.00 0.00 C ATOM 812 CG LYS A 52 89.841 15.353 -1.883 1.00 0.00 C ATOM 813 CD LYS A 52 89.501 16.250 -3.074 1.00 0.00 C ATOM 814 CE LYS A 52 89.020 15.387 -4.243 1.00 0.00 C ATOM 815 NZ LYS A 52 87.606 15.801 -4.468 1.00 0.00 N ATOM 0 H LYS A 52 89.090 14.099 1.591 1.00 0.00 H new ATOM 0 HA LYS A 52 87.903 13.055 -0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 52 87.807 14.635 -2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 52 88.124 15.594 -0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 52 90.421 15.911 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 52 90.460 14.517 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 52 88.728 16.966 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 52 90.377 16.827 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 52 89.627 15.553 -5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 52 89.088 14.326 -4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 87.102 15.050 -4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 87.143 15.966 -3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 87.586 16.677 -5.029 1.00 0.00 H new ATOM 829 N LEU A 53 90.499 11.813 -0.659 1.00 0.00 N ATOM 830 CA LEU A 53 91.321 10.817 -1.404 1.00 0.00 C ATOM 831 C LEU A 53 91.797 11.411 -2.735 1.00 0.00 C ATOM 832 O LEU A 53 92.821 12.062 -2.800 1.00 0.00 O ATOM 833 CB LEU A 53 90.386 9.629 -1.643 1.00 0.00 C ATOM 834 CG LEU A 53 90.017 8.991 -0.302 1.00 0.00 C ATOM 835 CD1 LEU A 53 89.346 7.639 -0.547 1.00 0.00 C ATOM 836 CD2 LEU A 53 91.283 8.787 0.534 1.00 0.00 C ATOM 0 H LEU A 53 90.676 11.854 0.345 1.00 0.00 H new ATOM 0 HA LEU A 53 92.215 10.524 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 53 89.485 9.960 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 53 90.871 8.895 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 53 89.330 9.646 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 53 89.083 7.185 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 53 88.443 7.783 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 53 90.032 6.984 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 53 91.019 8.333 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 53 91.971 8.133 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 53 91.762 9.750 0.711 1.00 0.00 H new ATOM 848 N SER A 54 91.066 11.195 -3.794 1.00 0.00 N ATOM 849 CA SER A 54 91.481 11.752 -5.113 1.00 0.00 C ATOM 850 C SER A 54 90.468 11.365 -6.192 1.00 0.00 C ATOM 851 O SER A 54 89.652 12.164 -6.607 1.00 0.00 O ATOM 852 CB SER A 54 92.841 11.118 -5.400 1.00 0.00 C ATOM 853 OG SER A 54 93.844 12.125 -5.371 1.00 0.00 O ATOM 0 H SER A 54 90.199 10.657 -3.803 1.00 0.00 H new ATOM 0 HA SER A 54 91.534 12.841 -5.104 1.00 0.00 H new ATOM 0 HB2 SER A 54 93.060 10.349 -4.659 1.00 0.00 H new ATOM 0 HB3 SER A 54 92.829 10.629 -6.374 1.00 0.00 H new ATOM 0 HG SER A 54 93.894 12.511 -4.472 1.00 0.00 H new ATOM 859 N ILE A 55 90.510 10.143 -6.650 1.00 0.00 N ATOM 860 CA ILE A 55 89.546 9.708 -7.701 1.00 0.00 C ATOM 861 C ILE A 55 88.253 9.179 -7.065 1.00 0.00 C ATOM 862 O ILE A 55 87.173 9.462 -7.547 1.00 0.00 O ATOM 863 CB ILE A 55 90.259 8.597 -8.476 1.00 0.00 C ATOM 864 CG1 ILE A 55 91.714 9.002 -8.731 1.00 0.00 C ATOM 865 CG2 ILE A 55 89.552 8.379 -9.814 1.00 0.00 C ATOM 866 CD1 ILE A 55 91.750 10.334 -9.483 1.00 0.00 C ATOM 0 H ILE A 55 91.169 9.428 -6.342 1.00 0.00 H new ATOM 0 HA ILE A 55 89.259 10.534 -8.352 1.00 0.00 H new ATOM 0 HB ILE A 55 90.235 7.676 -7.894 1.00 0.00 H new ATOM 0 HG12 ILE A 55 92.248 9.092 -7.785 1.00 0.00 H new ATOM 0 HG13 ILE A 55 92.221 8.231 -9.311 1.00 0.00 H new ATOM 0 HG21 ILE A 55 90.058 7.588 -10.368 1.00 0.00 H new ATOM 0 HG22 ILE A 55 88.516 8.091 -9.635 1.00 0.00 H new ATOM 0 HG23 ILE A 55 89.578 9.302 -10.394 1.00 0.00 H new ATOM 0 HD11 ILE A 55 92.786 10.622 -9.664 1.00 0.00 H new ATOM 0 HD12 ILE A 55 91.231 10.228 -10.436 1.00 0.00 H new ATOM 0 HD13 ILE A 55 91.259 11.102 -8.886 1.00 0.00 H new ATOM 878 N PRO A 56 88.395 8.424 -6.003 1.00 0.00 N ATOM 879 CA PRO A 56 87.204 7.864 -5.316 1.00 0.00 C ATOM 880 C PRO A 56 86.300 8.994 -4.816 1.00 0.00 C ATOM 881 O PRO A 56 86.223 10.051 -5.409 1.00 0.00 O ATOM 882 CB PRO A 56 87.782 7.073 -4.141 1.00 0.00 C ATOM 883 CG PRO A 56 89.237 6.896 -4.445 1.00 0.00 C ATOM 884 CD PRO A 56 89.645 8.027 -5.348 1.00 0.00 C ATOM 0 HA PRO A 56 86.593 7.244 -5.971 1.00 0.00 H new ATOM 0 HB2 PRO A 56 87.641 7.608 -3.202 1.00 0.00 H new ATOM 0 HB3 PRO A 56 87.284 6.109 -4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 56 89.825 6.905 -3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 56 89.415 5.935 -4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 56 90.080 8.852 -4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 56 90.393 7.709 -6.074 1.00 0.00 H new ATOM 892 N GLU A 57 85.614 8.776 -3.727 1.00 0.00 N ATOM 893 CA GLU A 57 84.714 9.836 -3.186 1.00 0.00 C ATOM 894 C GLU A 57 83.904 9.286 -2.011 1.00 0.00 C ATOM 895 O GLU A 57 83.085 8.403 -2.168 1.00 0.00 O ATOM 896 CB GLU A 57 83.791 10.207 -4.348 1.00 0.00 C ATOM 897 CG GLU A 57 83.886 11.711 -4.615 1.00 0.00 C ATOM 898 CD GLU A 57 82.660 12.414 -4.027 1.00 0.00 C ATOM 899 OE1 GLU A 57 81.559 11.968 -4.303 1.00 0.00 O ATOM 900 OE2 GLU A 57 82.845 13.386 -3.313 1.00 0.00 O ATOM 0 H GLU A 57 85.637 7.910 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 57 85.267 10.700 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 57 84.072 9.650 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 57 82.763 9.933 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 57 84.797 12.113 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 57 83.946 11.897 -5.687 1.00 0.00 H new ATOM 907 N LEU A 58 84.128 9.798 -0.832 1.00 0.00 N ATOM 908 CA LEU A 58 83.374 9.303 0.355 1.00 0.00 C ATOM 909 C LEU A 58 81.873 9.235 0.054 1.00 0.00 C ATOM 910 O LEU A 58 81.134 8.527 0.706 1.00 0.00 O ATOM 911 CB LEU A 58 83.650 10.333 1.451 1.00 0.00 C ATOM 912 CG LEU A 58 84.147 9.621 2.707 1.00 0.00 C ATOM 913 CD1 LEU A 58 84.243 10.623 3.858 1.00 0.00 C ATOM 914 CD2 LEU A 58 83.167 8.507 3.080 1.00 0.00 C ATOM 0 H LEU A 58 84.802 10.539 -0.639 1.00 0.00 H new ATOM 0 HA LEU A 58 83.681 8.298 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 58 84.394 11.052 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 58 82.743 10.895 1.674 1.00 0.00 H new ATOM 0 HG LEU A 58 85.131 9.192 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 58 84.598 10.114 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 58 84.940 11.417 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 58 83.260 11.052 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 58 83.520 7.997 3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 58 82.183 8.936 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 58 83.099 7.793 2.260 1.00 0.00 H new ATOM 926 N SER A 59 81.417 9.972 -0.920 1.00 0.00 N ATOM 927 CA SER A 59 79.963 9.953 -1.250 1.00 0.00 C ATOM 928 C SER A 59 79.561 8.609 -1.864 1.00 0.00 C ATOM 929 O SER A 59 78.534 8.050 -1.533 1.00 0.00 O ATOM 930 CB SER A 59 79.775 11.080 -2.263 1.00 0.00 C ATOM 931 OG SER A 59 78.405 11.453 -2.302 1.00 0.00 O ATOM 0 H SER A 59 81.987 10.586 -1.502 1.00 0.00 H new ATOM 0 HA SER A 59 79.343 10.086 -0.363 1.00 0.00 H new ATOM 0 HB2 SER A 59 80.389 11.937 -1.988 1.00 0.00 H new ATOM 0 HB3 SER A 59 80.104 10.755 -3.250 1.00 0.00 H new ATOM 0 HG SER A 59 78.282 12.178 -2.950 1.00 0.00 H new ATOM 937 N TYR A 60 80.350 8.089 -2.764 1.00 0.00 N ATOM 938 CA TYR A 60 79.991 6.788 -3.399 1.00 0.00 C ATOM 939 C TYR A 60 80.461 5.613 -2.526 1.00 0.00 C ATOM 940 O TYR A 60 79.815 4.585 -2.459 1.00 0.00 O ATOM 941 CB TYR A 60 80.688 6.815 -4.773 1.00 0.00 C ATOM 942 CG TYR A 60 81.995 6.052 -4.740 1.00 0.00 C ATOM 943 CD1 TYR A 60 81.984 4.654 -4.719 1.00 0.00 C ATOM 944 CD2 TYR A 60 83.211 6.743 -4.741 1.00 0.00 C ATOM 945 CE1 TYR A 60 83.189 3.943 -4.694 1.00 0.00 C ATOM 946 CE2 TYR A 60 84.418 6.032 -4.718 1.00 0.00 C ATOM 947 CZ TYR A 60 84.407 4.633 -4.695 1.00 0.00 C ATOM 948 OH TYR A 60 85.595 3.932 -4.672 1.00 0.00 O ATOM 0 H TYR A 60 81.223 8.506 -3.086 1.00 0.00 H new ATOM 0 HA TYR A 60 78.915 6.653 -3.509 1.00 0.00 H new ATOM 0 HB2 TYR A 60 80.030 6.381 -5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 60 80.874 7.847 -5.069 1.00 0.00 H new ATOM 0 HD1 TYR A 60 81.044 4.122 -4.722 1.00 0.00 H new ATOM 0 HD2 TYR A 60 83.220 7.823 -4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 60 83.179 2.863 -4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 60 85.358 6.564 -4.718 1.00 0.00 H new ATOM 0 HH TYR A 60 85.425 2.993 -4.895 1.00 0.00 H new ATOM 958 N ILE A 61 81.569 5.758 -1.850 1.00 0.00 N ATOM 959 CA ILE A 61 82.057 4.649 -0.979 1.00 0.00 C ATOM 960 C ILE A 61 81.134 4.503 0.232 1.00 0.00 C ATOM 961 O ILE A 61 80.861 3.411 0.688 1.00 0.00 O ATOM 962 CB ILE A 61 83.474 5.066 -0.559 1.00 0.00 C ATOM 963 CG1 ILE A 61 84.478 4.510 -1.570 1.00 0.00 C ATOM 964 CG2 ILE A 61 83.808 4.513 0.832 1.00 0.00 C ATOM 965 CD1 ILE A 61 85.344 5.650 -2.103 1.00 0.00 C ATOM 0 H ILE A 61 82.155 6.592 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 61 82.065 3.683 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 61 83.527 6.154 -0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 61 85.104 3.752 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 61 83.952 4.023 -2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 61 84.816 4.819 1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 61 83.095 4.902 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 61 83.751 3.425 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 61 86.061 5.256 -2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 61 84.710 6.392 -2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 61 85.880 6.117 -1.277 1.00 0.00 H new ATOM 977 N TRP A 62 80.649 5.596 0.754 1.00 0.00 N ATOM 978 CA TRP A 62 79.739 5.515 1.932 1.00 0.00 C ATOM 979 C TRP A 62 78.402 4.905 1.506 1.00 0.00 C ATOM 980 O TRP A 62 77.849 4.064 2.184 1.00 0.00 O ATOM 981 CB TRP A 62 79.556 6.963 2.393 1.00 0.00 C ATOM 982 CG TRP A 62 78.484 7.025 3.434 1.00 0.00 C ATOM 983 CD1 TRP A 62 77.185 7.315 3.192 1.00 0.00 C ATOM 984 CD2 TRP A 62 78.594 6.801 4.870 1.00 0.00 C ATOM 985 NE1 TRP A 62 76.490 7.282 4.388 1.00 0.00 N ATOM 986 CE2 TRP A 62 77.316 6.969 5.451 1.00 0.00 C ATOM 987 CE3 TRP A 62 79.668 6.471 5.715 1.00 0.00 C ATOM 988 CZ2 TRP A 62 77.109 6.815 6.823 1.00 0.00 C ATOM 989 CZ3 TRP A 62 79.465 6.315 7.096 1.00 0.00 C ATOM 990 CH2 TRP A 62 78.188 6.487 7.649 1.00 0.00 C ATOM 0 H TRP A 62 80.843 6.539 0.417 1.00 0.00 H new ATOM 0 HA TRP A 62 80.137 4.889 2.730 1.00 0.00 H new ATOM 0 HB2 TRP A 62 80.492 7.348 2.797 1.00 0.00 H new ATOM 0 HB3 TRP A 62 79.291 7.595 1.545 1.00 0.00 H new ATOM 0 HD1 TRP A 62 76.760 7.536 2.224 1.00 0.00 H new ATOM 0 HE1 TRP A 62 75.490 7.466 4.475 1.00 0.00 H new ATOM 0 HE3 TRP A 62 80.656 6.337 5.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 76.123 6.948 7.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 80.297 6.061 7.736 1.00 0.00 H new ATOM 0 HH2 TRP A 62 78.038 6.366 8.712 1.00 0.00 H new ATOM 1001 N GLU A 63 77.887 5.314 0.378 1.00 0.00 N ATOM 1002 CA GLU A 63 76.595 4.743 -0.095 1.00 0.00 C ATOM 1003 C GLU A 63 76.740 3.229 -0.258 1.00 0.00 C ATOM 1004 O GLU A 63 75.781 2.487 -0.164 1.00 0.00 O ATOM 1005 CB GLU A 63 76.339 5.407 -1.449 1.00 0.00 C ATOM 1006 CG GLU A 63 75.292 6.512 -1.286 1.00 0.00 C ATOM 1007 CD GLU A 63 74.719 6.879 -2.656 1.00 0.00 C ATOM 1008 OE1 GLU A 63 75.491 6.960 -3.597 1.00 0.00 O ATOM 1009 OE2 GLU A 63 73.518 7.072 -2.741 1.00 0.00 O ATOM 0 H GLU A 63 78.304 6.016 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 63 75.775 4.921 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 63 77.266 5.825 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 63 75.992 4.666 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 63 74.494 6.176 -0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 63 75.743 7.389 -0.822 1.00 0.00 H new ATOM 1016 N LEU A 64 77.938 2.768 -0.494 1.00 0.00 N ATOM 1017 CA LEU A 64 78.162 1.303 -0.656 1.00 0.00 C ATOM 1018 C LEU A 64 78.809 0.733 0.608 1.00 0.00 C ATOM 1019 O LEU A 64 78.945 -0.464 0.763 1.00 0.00 O ATOM 1020 CB LEU A 64 79.115 1.171 -1.845 1.00 0.00 C ATOM 1021 CG LEU A 64 78.622 2.034 -3.008 1.00 0.00 C ATOM 1022 CD1 LEU A 64 79.763 2.239 -4.004 1.00 0.00 C ATOM 1023 CD2 LEU A 64 77.456 1.332 -3.708 1.00 0.00 C ATOM 0 H LEU A 64 78.774 3.345 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 64 77.232 0.759 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.119 1.479 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 64 79.179 0.128 -2.156 1.00 0.00 H new ATOM 0 HG LEU A 64 78.288 3.000 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 64 79.415 2.854 -4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.595 2.738 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 64 80.094 1.272 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 64 77.105 1.947 -4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 64 77.788 0.366 -4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 64 76.643 1.182 -2.998 1.00 0.00 H new ATOM 1035 N SER A 65 79.214 1.584 1.513 1.00 0.00 N ATOM 1036 CA SER A 65 79.855 1.093 2.763 1.00 0.00 C ATOM 1037 C SER A 65 78.812 0.972 3.877 1.00 0.00 C ATOM 1038 O SER A 65 79.093 0.489 4.955 1.00 0.00 O ATOM 1039 CB SER A 65 80.899 2.151 3.114 1.00 0.00 C ATOM 1040 OG SER A 65 81.483 1.837 4.372 1.00 0.00 O ATOM 0 H SER A 65 79.128 2.598 1.439 1.00 0.00 H new ATOM 0 HA SER A 65 80.303 0.107 2.640 1.00 0.00 H new ATOM 0 HB2 SER A 65 81.668 2.189 2.343 1.00 0.00 H new ATOM 0 HB3 SER A 65 80.436 3.137 3.151 1.00 0.00 H new ATOM 0 HG SER A 65 80.845 1.323 4.910 1.00 0.00 H new ATOM 1046 N ASP A 66 77.609 1.410 3.622 1.00 0.00 N ATOM 1047 CA ASP A 66 76.546 1.321 4.665 1.00 0.00 C ATOM 1048 C ASP A 66 75.683 0.078 4.436 1.00 0.00 C ATOM 1049 O ASP A 66 75.300 -0.229 3.324 1.00 0.00 O ATOM 1050 CB ASP A 66 75.712 2.591 4.485 1.00 0.00 C ATOM 1051 CG ASP A 66 75.565 3.299 5.833 1.00 0.00 C ATOM 1052 OD1 ASP A 66 75.268 2.625 6.805 1.00 0.00 O ATOM 1053 OD2 ASP A 66 75.753 4.504 5.869 1.00 0.00 O ATOM 0 H ASP A 66 77.316 1.825 2.738 1.00 0.00 H new ATOM 0 HA ASP A 66 76.959 1.240 5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.190 3.254 3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 66 74.730 2.340 4.085 1.00 0.00 H new ATOM 1058 N ALA A 67 75.373 -0.641 5.480 1.00 0.00 N ATOM 1059 CA ALA A 67 74.534 -1.863 5.321 1.00 0.00 C ATOM 1060 C ALA A 67 73.056 -1.477 5.210 1.00 0.00 C ATOM 1061 O ALA A 67 72.211 -2.299 4.914 1.00 0.00 O ATOM 1062 CB ALA A 67 74.783 -2.683 6.587 1.00 0.00 C ATOM 0 H ALA A 67 75.664 -0.435 6.436 1.00 0.00 H new ATOM 0 HA ALA A 67 74.784 -2.423 4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 67 74.198 -3.602 6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 67 75.842 -2.930 6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 67 74.486 -2.103 7.461 1.00 0.00 H new ATOM 1068 N ASP A 68 72.739 -0.233 5.447 1.00 0.00 N ATOM 1069 CA ASP A 68 71.319 0.209 5.357 1.00 0.00 C ATOM 1070 C ASP A 68 71.256 1.709 5.615 1.00 0.00 C ATOM 1071 O ASP A 68 70.285 2.232 6.123 1.00 0.00 O ATOM 1072 CB ASP A 68 70.586 -0.563 6.456 1.00 0.00 C ATOM 1073 CG ASP A 68 71.160 -0.176 7.820 1.00 0.00 C ATOM 1074 OD1 ASP A 68 72.234 0.401 7.846 1.00 0.00 O ATOM 1075 OD2 ASP A 68 70.514 -0.461 8.815 1.00 0.00 O ATOM 0 H ASP A 68 73.404 0.498 5.700 1.00 0.00 H new ATOM 0 HA ASP A 68 70.873 0.020 4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 68 69.519 -0.341 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 68 70.693 -1.636 6.295 1.00 0.00 H new ATOM 1080 N CYS A 69 72.309 2.393 5.274 1.00 0.00 N ATOM 1081 CA CYS A 69 72.372 3.855 5.492 1.00 0.00 C ATOM 1082 C CYS A 69 71.731 4.223 6.830 1.00 0.00 C ATOM 1083 O CYS A 69 71.129 5.267 6.977 1.00 0.00 O ATOM 1084 CB CYS A 69 71.602 4.473 4.325 1.00 0.00 C ATOM 1085 SG CYS A 69 72.772 5.152 3.123 1.00 0.00 S ATOM 0 H CYS A 69 73.142 1.989 4.846 1.00 0.00 H new ATOM 0 HA CYS A 69 73.398 4.220 5.530 1.00 0.00 H new ATOM 0 HB2 CYS A 69 70.973 3.720 3.851 1.00 0.00 H new ATOM 0 HB3 CYS A 69 70.940 5.259 4.688 1.00 0.00 H new ATOM 0 HG CYS A 69 72.118 5.676 2.129 1.00 0.00 H new ATOM 1091 N ASP A 70 71.866 3.373 7.809 1.00 0.00 N ATOM 1092 CA ASP A 70 71.275 3.674 9.143 1.00 0.00 C ATOM 1093 C ASP A 70 72.099 4.757 9.838 1.00 0.00 C ATOM 1094 O ASP A 70 71.691 5.324 10.832 1.00 0.00 O ATOM 1095 CB ASP A 70 71.351 2.358 9.918 1.00 0.00 C ATOM 1096 CG ASP A 70 72.803 1.879 9.968 1.00 0.00 C ATOM 1097 OD1 ASP A 70 73.670 2.633 9.555 1.00 0.00 O ATOM 1098 OD2 ASP A 70 73.024 0.766 10.417 1.00 0.00 O ATOM 0 H ASP A 70 72.360 2.483 7.743 1.00 0.00 H new ATOM 0 HA ASP A 70 70.251 4.042 9.074 1.00 0.00 H new ATOM 0 HB2 ASP A 70 70.967 2.496 10.929 1.00 0.00 H new ATOM 0 HB3 ASP A 70 70.725 1.605 9.440 1.00 0.00 H new ATOM 1103 N GLY A 71 73.261 5.048 9.317 1.00 0.00 N ATOM 1104 CA GLY A 71 74.119 6.094 9.941 1.00 0.00 C ATOM 1105 C GLY A 71 75.269 5.428 10.697 1.00 0.00 C ATOM 1106 O GLY A 71 76.392 5.887 10.666 1.00 0.00 O ATOM 0 H GLY A 71 73.652 4.606 8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.512 6.761 9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 71 73.528 6.705 10.623 1.00 0.00 H new ATOM 1110 N ALA A 72 74.998 4.348 11.378 1.00 0.00 N ATOM 1111 CA ALA A 72 76.069 3.654 12.138 1.00 0.00 C ATOM 1112 C ALA A 72 76.538 2.412 11.377 1.00 0.00 C ATOM 1113 O ALA A 72 75.851 1.903 10.514 1.00 0.00 O ATOM 1114 CB ALA A 72 75.416 3.256 13.460 1.00 0.00 C ATOM 0 H ALA A 72 74.076 3.917 11.439 1.00 0.00 H new ATOM 0 HA ALA A 72 76.946 4.284 12.287 1.00 0.00 H new ATOM 0 HB1 ALA A 72 76.143 2.736 14.083 1.00 0.00 H new ATOM 0 HB2 ALA A 72 75.068 4.150 13.978 1.00 0.00 H new ATOM 0 HB3 ALA A 72 74.569 2.598 13.264 1.00 0.00 H new ATOM 1120 N LEU A 73 77.702 1.921 11.692 1.00 0.00 N ATOM 1121 CA LEU A 73 78.220 0.711 10.988 1.00 0.00 C ATOM 1122 C LEU A 73 78.916 -0.226 11.979 1.00 0.00 C ATOM 1123 O LEU A 73 79.997 0.053 12.457 1.00 0.00 O ATOM 1124 CB LEU A 73 79.222 1.247 9.965 1.00 0.00 C ATOM 1125 CG LEU A 73 78.489 2.092 8.923 1.00 0.00 C ATOM 1126 CD1 LEU A 73 78.730 3.574 9.209 1.00 0.00 C ATOM 1127 CD2 LEU A 73 79.019 1.753 7.528 1.00 0.00 C ATOM 0 H LEU A 73 78.320 2.304 12.407 1.00 0.00 H new ATOM 0 HA LEU A 73 77.422 0.137 10.518 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.982 1.847 10.465 1.00 0.00 H new ATOM 0 HB3 LEU A 73 79.739 0.419 9.479 1.00 0.00 H new ATOM 0 HG LEU A 73 77.421 1.880 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 73 78.208 4.177 8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.356 3.818 10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.798 3.785 9.161 1.00 0.00 H new ATOM 0 HD21 LEU A 73 78.497 2.355 6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.087 1.966 7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 73 78.851 0.696 7.322 1.00 0.00 H new ATOM 1139 N THR A 74 78.309 -1.342 12.285 1.00 0.00 N ATOM 1140 CA THR A 74 78.943 -2.298 13.238 1.00 0.00 C ATOM 1141 C THR A 74 80.370 -2.611 12.787 1.00 0.00 C ATOM 1142 O THR A 74 80.784 -2.231 11.710 1.00 0.00 O ATOM 1143 CB THR A 74 78.074 -3.555 13.173 1.00 0.00 C ATOM 1144 OG1 THR A 74 78.204 -4.153 11.890 1.00 0.00 O ATOM 1145 CG2 THR A 74 76.612 -3.183 13.416 1.00 0.00 C ATOM 0 H THR A 74 77.403 -1.632 11.917 1.00 0.00 H new ATOM 0 HA THR A 74 79.005 -1.898 14.250 1.00 0.00 H new ATOM 0 HB THR A 74 78.399 -4.259 13.939 1.00 0.00 H new ATOM 0 HG1 THR A 74 78.035 -5.116 11.959 1.00 0.00 H new ATOM 0 HG21 THR A 74 75.996 -4.081 13.369 1.00 0.00 H new ATOM 0 HG22 THR A 74 76.512 -2.725 14.400 1.00 0.00 H new ATOM 0 HG23 THR A 74 76.284 -2.477 12.652 1.00 0.00 H new ATOM 1153 N LEU A 75 81.129 -3.306 13.591 1.00 0.00 N ATOM 1154 CA LEU A 75 82.521 -3.638 13.177 1.00 0.00 C ATOM 1155 C LEU A 75 82.493 -4.333 11.813 1.00 0.00 C ATOM 1156 O LEU A 75 83.251 -3.990 10.928 1.00 0.00 O ATOM 1157 CB LEU A 75 83.059 -4.581 14.256 1.00 0.00 C ATOM 1158 CG LEU A 75 84.545 -4.296 14.481 1.00 0.00 C ATOM 1159 CD1 LEU A 75 84.705 -2.960 15.205 1.00 0.00 C ATOM 1160 CD2 LEU A 75 85.156 -5.412 15.332 1.00 0.00 C ATOM 0 H LEU A 75 80.848 -3.655 14.507 1.00 0.00 H new ATOM 0 HA LEU A 75 83.149 -2.753 13.081 1.00 0.00 H new ATOM 0 HB2 LEU A 75 82.506 -4.443 15.185 1.00 0.00 H new ATOM 0 HB3 LEU A 75 82.918 -5.618 13.952 1.00 0.00 H new ATOM 0 HG LEU A 75 85.055 -4.251 13.519 1.00 0.00 H new ATOM 0 HD11 LEU A 75 85.764 -2.757 15.365 1.00 0.00 H new ATOM 0 HD12 LEU A 75 84.271 -2.164 14.600 1.00 0.00 H new ATOM 0 HD13 LEU A 75 84.195 -3.004 16.167 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.215 -5.209 15.492 1.00 0.00 H new ATOM 0 HD22 LEU A 75 84.645 -5.457 16.294 1.00 0.00 H new ATOM 0 HD23 LEU A 75 85.043 -6.366 14.816 1.00 0.00 H new ATOM 1172 N PRO A 76 81.603 -5.285 11.686 1.00 0.00 N ATOM 1173 CA PRO A 76 81.465 -6.024 10.408 1.00 0.00 C ATOM 1174 C PRO A 76 81.159 -5.047 9.270 1.00 0.00 C ATOM 1175 O PRO A 76 81.529 -5.267 8.134 1.00 0.00 O ATOM 1176 CB PRO A 76 80.280 -6.963 10.643 1.00 0.00 C ATOM 1177 CG PRO A 76 80.101 -7.025 12.128 1.00 0.00 C ATOM 1178 CD PRO A 76 80.649 -5.746 12.699 1.00 0.00 C ATOM 0 HA PRO A 76 82.371 -6.562 10.128 1.00 0.00 H new ATOM 0 HB2 PRO A 76 79.380 -6.588 10.155 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.477 -7.953 10.231 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.048 -7.139 12.383 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.625 -7.886 12.542 1.00 0.00 H new ATOM 0 HD2 PRO A 76 79.860 -5.013 12.866 1.00 0.00 H new ATOM 0 HD3 PRO A 76 81.137 -5.914 13.659 1.00 0.00 H new ATOM 1186 N GLU A 77 80.484 -3.970 9.568 1.00 0.00 N ATOM 1187 CA GLU A 77 80.154 -2.980 8.503 1.00 0.00 C ATOM 1188 C GLU A 77 81.413 -2.212 8.089 1.00 0.00 C ATOM 1189 O GLU A 77 81.633 -1.943 6.924 1.00 0.00 O ATOM 1190 CB GLU A 77 79.134 -2.036 9.139 1.00 0.00 C ATOM 1191 CG GLU A 77 77.752 -2.692 9.121 1.00 0.00 C ATOM 1192 CD GLU A 77 76.685 -1.629 8.852 1.00 0.00 C ATOM 1193 OE1 GLU A 77 76.979 -0.696 8.124 1.00 0.00 O ATOM 1194 OE2 GLU A 77 75.594 -1.767 9.381 1.00 0.00 O ATOM 0 H GLU A 77 80.147 -3.733 10.501 1.00 0.00 H new ATOM 0 HA GLU A 77 79.761 -3.455 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 77 79.426 -1.805 10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 77 79.107 -1.092 8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 77 77.714 -3.463 8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 77 77.559 -3.183 10.075 1.00 0.00 H new ATOM 1201 N PHE A 78 82.242 -1.862 9.033 1.00 0.00 N ATOM 1202 CA PHE A 78 83.487 -1.116 8.693 1.00 0.00 C ATOM 1203 C PHE A 78 84.474 -2.042 7.977 1.00 0.00 C ATOM 1204 O PHE A 78 85.321 -1.600 7.226 1.00 0.00 O ATOM 1205 CB PHE A 78 84.053 -0.660 10.039 1.00 0.00 C ATOM 1206 CG PHE A 78 85.330 0.114 9.815 1.00 0.00 C ATOM 1207 CD1 PHE A 78 86.524 -0.570 9.551 1.00 0.00 C ATOM 1208 CD2 PHE A 78 85.323 1.513 9.874 1.00 0.00 C ATOM 1209 CE1 PHE A 78 87.710 0.147 9.346 1.00 0.00 C ATOM 1210 CE2 PHE A 78 86.509 2.228 9.669 1.00 0.00 C ATOM 1211 CZ PHE A 78 87.702 1.545 9.404 1.00 0.00 C ATOM 0 H PHE A 78 82.112 -2.060 10.025 1.00 0.00 H new ATOM 0 HA PHE A 78 83.300 -0.275 8.026 1.00 0.00 H new ATOM 0 HB2 PHE A 78 83.325 -0.037 10.559 1.00 0.00 H new ATOM 0 HB3 PHE A 78 84.246 -1.524 10.675 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.530 -1.649 9.506 1.00 0.00 H new ATOM 0 HD2 PHE A 78 84.403 2.040 10.078 1.00 0.00 H new ATOM 0 HE1 PHE A 78 88.631 -0.380 9.143 1.00 0.00 H new ATOM 0 HE2 PHE A 78 86.504 3.307 9.715 1.00 0.00 H new ATOM 0 HZ PHE A 78 88.616 2.097 9.244 1.00 0.00 H new ATOM 1221 N CYS A 79 84.371 -3.323 8.203 1.00 0.00 N ATOM 1222 CA CYS A 79 85.301 -4.276 7.534 1.00 0.00 C ATOM 1223 C CYS A 79 85.200 -4.132 6.013 1.00 0.00 C ATOM 1224 O CYS A 79 86.193 -4.017 5.323 1.00 0.00 O ATOM 1225 CB CYS A 79 84.833 -5.664 7.974 1.00 0.00 C ATOM 1226 SG CYS A 79 86.131 -6.876 7.623 1.00 0.00 S ATOM 0 H CYS A 79 83.683 -3.751 8.822 1.00 0.00 H new ATOM 0 HA CYS A 79 86.342 -4.094 7.802 1.00 0.00 H new ATOM 0 HB2 CYS A 79 84.601 -5.661 9.039 1.00 0.00 H new ATOM 0 HB3 CYS A 79 83.917 -5.934 7.449 1.00 0.00 H new ATOM 0 HG CYS A 79 85.736 -8.056 7.998 1.00 0.00 H new ATOM 1232 N ALA A 80 84.006 -4.133 5.485 1.00 0.00 N ATOM 1233 CA ALA A 80 83.845 -3.994 4.010 1.00 0.00 C ATOM 1234 C ALA A 80 83.999 -2.526 3.601 1.00 0.00 C ATOM 1235 O ALA A 80 84.263 -2.214 2.457 1.00 0.00 O ATOM 1236 CB ALA A 80 82.428 -4.487 3.715 1.00 0.00 C ATOM 0 H ALA A 80 83.137 -4.224 6.011 1.00 0.00 H new ATOM 0 HA ALA A 80 84.594 -4.560 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 80 82.233 -4.415 2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 80 82.330 -5.525 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 80 81.709 -3.872 4.257 1.00 0.00 H new ATOM 1242 N ALA A 81 83.837 -1.623 4.528 1.00 0.00 N ATOM 1243 CA ALA A 81 83.974 -0.177 4.192 1.00 0.00 C ATOM 1244 C ALA A 81 85.403 0.129 3.734 1.00 0.00 C ATOM 1245 O ALA A 81 85.638 0.497 2.600 1.00 0.00 O ATOM 1246 CB ALA A 81 83.659 0.564 5.492 1.00 0.00 C ATOM 0 H ALA A 81 83.616 -1.823 5.503 1.00 0.00 H new ATOM 0 HA ALA A 81 83.310 0.121 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 81 83.739 1.638 5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 81 82.646 0.320 5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 81 84.367 0.262 6.264 1.00 0.00 H new ATOM 1252 N PHE A 82 86.359 -0.020 4.610 1.00 0.00 N ATOM 1253 CA PHE A 82 87.773 0.263 4.230 1.00 0.00 C ATOM 1254 C PHE A 82 88.139 -0.481 2.943 1.00 0.00 C ATOM 1255 O PHE A 82 89.019 -0.074 2.209 1.00 0.00 O ATOM 1256 CB PHE A 82 88.608 -0.252 5.402 1.00 0.00 C ATOM 1257 CG PHE A 82 89.448 0.874 5.956 1.00 0.00 C ATOM 1258 CD1 PHE A 82 88.855 1.866 6.746 1.00 0.00 C ATOM 1259 CD2 PHE A 82 90.819 0.925 5.681 1.00 0.00 C ATOM 1260 CE1 PHE A 82 89.634 2.909 7.260 1.00 0.00 C ATOM 1261 CE2 PHE A 82 91.598 1.968 6.196 1.00 0.00 C ATOM 1262 CZ PHE A 82 91.005 2.961 6.986 1.00 0.00 C ATOM 0 H PHE A 82 86.222 -0.326 5.573 1.00 0.00 H new ATOM 0 HA PHE A 82 87.943 1.323 4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 82 87.956 -0.650 6.180 1.00 0.00 H new ATOM 0 HB3 PHE A 82 89.249 -1.070 5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 82 87.797 1.826 6.959 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.276 0.160 5.071 1.00 0.00 H new ATOM 0 HE1 PHE A 82 89.176 3.675 7.869 1.00 0.00 H new ATOM 0 HE2 PHE A 82 92.656 2.007 5.984 1.00 0.00 H new ATOM 0 HZ PHE A 82 91.605 3.766 7.383 1.00 0.00 H new ATOM 1272 N HIS A 83 87.475 -1.569 2.663 1.00 0.00 N ATOM 1273 CA HIS A 83 87.791 -2.337 1.423 1.00 0.00 C ATOM 1274 C HIS A 83 87.425 -1.518 0.183 1.00 0.00 C ATOM 1275 O HIS A 83 88.172 -1.457 -0.773 1.00 0.00 O ATOM 1276 CB HIS A 83 86.927 -3.596 1.508 1.00 0.00 C ATOM 1277 CG HIS A 83 87.410 -4.460 2.642 1.00 0.00 C ATOM 1278 ND1 HIS A 83 88.477 -4.094 3.448 1.00 0.00 N ATOM 1279 CD2 HIS A 83 86.983 -5.675 3.115 1.00 0.00 C ATOM 1280 CE1 HIS A 83 88.654 -5.072 4.355 1.00 0.00 C ATOM 1281 NE2 HIS A 83 87.770 -6.061 4.196 1.00 0.00 N ATOM 0 H HIS A 83 86.728 -1.960 3.238 1.00 0.00 H new ATOM 0 HA HIS A 83 88.852 -2.574 1.343 1.00 0.00 H new ATOM 0 HB2 HIS A 83 85.883 -3.324 1.663 1.00 0.00 H new ATOM 0 HB3 HIS A 83 86.976 -4.148 0.569 1.00 0.00 H new ATOM 0 HD2 HIS A 83 86.160 -6.246 2.710 1.00 0.00 H new ATOM 0 HE1 HIS A 83 89.418 -5.059 5.119 1.00 0.00 H new ATOM 0 HE2 HIS A 83 87.689 -6.915 4.748 1.00 0.00 H new ATOM 1289 N LEU A 84 86.281 -0.890 0.189 1.00 0.00 N ATOM 1290 CA LEU A 84 85.867 -0.077 -0.990 1.00 0.00 C ATOM 1291 C LEU A 84 86.862 1.061 -1.232 1.00 0.00 C ATOM 1292 O LEU A 84 87.283 1.305 -2.345 1.00 0.00 O ATOM 1293 CB LEU A 84 84.495 0.483 -0.608 1.00 0.00 C ATOM 1294 CG LEU A 84 83.398 -0.522 -0.974 1.00 0.00 C ATOM 1295 CD1 LEU A 84 83.111 -0.440 -2.473 1.00 0.00 C ATOM 1296 CD2 LEU A 84 83.848 -1.944 -0.621 1.00 0.00 C ATOM 0 H LEU A 84 85.614 -0.905 0.961 1.00 0.00 H new ATOM 0 HA LEU A 84 85.835 -0.664 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.464 0.694 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 84 84.322 1.427 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 84 82.495 -0.282 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 84 82.331 -1.155 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 84 82.779 0.567 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 84 84.018 -0.674 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 84 83.061 -2.651 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 84 84.755 -2.187 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 84 84.048 -2.007 0.449 1.00 0.00 H new ATOM 1308 N ILE A 85 87.239 1.760 -0.197 1.00 0.00 N ATOM 1309 CA ILE A 85 88.206 2.884 -0.367 1.00 0.00 C ATOM 1310 C ILE A 85 89.450 2.403 -1.121 1.00 0.00 C ATOM 1311 O ILE A 85 89.866 2.997 -2.095 1.00 0.00 O ATOM 1312 CB ILE A 85 88.566 3.311 1.058 1.00 0.00 C ATOM 1313 CG1 ILE A 85 87.439 4.177 1.630 1.00 0.00 C ATOM 1314 CG2 ILE A 85 89.867 4.118 1.043 1.00 0.00 C ATOM 1315 CD1 ILE A 85 86.658 3.375 2.673 1.00 0.00 C ATOM 0 H ILE A 85 86.920 1.603 0.759 1.00 0.00 H new ATOM 0 HA ILE A 85 87.788 3.708 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 85 88.698 2.424 1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.853 5.078 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.772 4.500 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 85 90.120 4.420 2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 85 90.671 3.505 0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 85 89.738 5.005 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.856 3.991 3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 85 86.232 2.487 2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.329 3.074 3.478 1.00 0.00 H new ATOM 1327 N VAL A 86 90.048 1.333 -0.675 1.00 0.00 N ATOM 1328 CA VAL A 86 91.267 0.816 -1.361 1.00 0.00 C ATOM 1329 C VAL A 86 90.901 0.225 -2.727 1.00 0.00 C ATOM 1330 O VAL A 86 91.719 0.156 -3.621 1.00 0.00 O ATOM 1331 CB VAL A 86 91.807 -0.272 -0.435 1.00 0.00 C ATOM 1332 CG1 VAL A 86 92.939 -1.023 -1.137 1.00 0.00 C ATOM 1333 CG2 VAL A 86 92.340 0.373 0.848 1.00 0.00 C ATOM 0 H VAL A 86 89.745 0.793 0.136 1.00 0.00 H new ATOM 0 HA VAL A 86 92.001 1.601 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 86 91.008 -0.971 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 86 93.325 -1.800 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 86 92.560 -1.479 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 86 93.740 -0.326 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 86 92.726 -0.401 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 86 93.140 1.070 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 86 91.533 0.910 1.348 1.00 0.00 H new ATOM 1343 N ALA A 87 89.680 -0.204 -2.892 1.00 0.00 N ATOM 1344 CA ALA A 87 89.268 -0.792 -4.200 1.00 0.00 C ATOM 1345 C ALA A 87 89.406 0.245 -5.317 1.00 0.00 C ATOM 1346 O ALA A 87 89.652 -0.088 -6.460 1.00 0.00 O ATOM 1347 CB ALA A 87 87.801 -1.184 -4.014 1.00 0.00 C ATOM 0 H ALA A 87 88.950 -0.173 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 87 89.887 -1.644 -4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 87 87.423 -1.626 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.718 -1.908 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 87 87.216 -0.298 -3.770 1.00 0.00 H new ATOM 1353 N ARG A 88 89.251 1.501 -4.998 1.00 0.00 N ATOM 1354 CA ARG A 88 89.371 2.558 -6.043 1.00 0.00 C ATOM 1355 C ARG A 88 90.805 3.090 -6.098 1.00 0.00 C ATOM 1356 O ARG A 88 91.154 3.873 -6.960 1.00 0.00 O ATOM 1357 CB ARG A 88 88.407 3.659 -5.604 1.00 0.00 C ATOM 1358 CG ARG A 88 88.214 4.658 -6.747 1.00 0.00 C ATOM 1359 CD ARG A 88 87.374 4.014 -7.852 1.00 0.00 C ATOM 1360 NE ARG A 88 86.235 4.950 -8.063 1.00 0.00 N ATOM 1361 CZ ARG A 88 85.322 4.676 -8.955 1.00 0.00 C ATOM 1362 NH1 ARG A 88 85.160 3.448 -9.364 1.00 0.00 N ATOM 1363 NH2 ARG A 88 84.573 5.629 -9.437 1.00 0.00 N ATOM 0 H ARG A 88 89.046 1.841 -4.058 1.00 0.00 H new ATOM 0 HA ARG A 88 89.135 2.182 -7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 88 87.448 3.225 -5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 88 88.798 4.169 -4.724 1.00 0.00 H new ATOM 0 HG2 ARG A 88 87.721 5.558 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 88 89.182 4.965 -7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 88 87.955 3.886 -8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 88 87.023 3.025 -7.556 1.00 0.00 H new ATOM 0 HE ARG A 88 86.168 5.805 -7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 88 85.746 2.703 -8.987 1.00 0.00 H new ATOM 0 HH12 ARG A 88 84.447 3.232 -10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 88 84.700 6.589 -9.117 1.00 0.00 H new ATOM 0 HH22 ARG A 88 83.860 5.414 -10.134 1.00 0.00 H new ATOM 1377 N LYS A 89 91.638 2.676 -5.184 1.00 0.00 N ATOM 1378 CA LYS A 89 93.046 3.163 -5.185 1.00 0.00 C ATOM 1379 C LYS A 89 93.900 2.319 -6.137 1.00 0.00 C ATOM 1380 O LYS A 89 94.446 2.816 -7.101 1.00 0.00 O ATOM 1381 CB LYS A 89 93.525 2.996 -3.743 1.00 0.00 C ATOM 1382 CG LYS A 89 93.822 4.372 -3.141 1.00 0.00 C ATOM 1383 CD LYS A 89 94.986 5.018 -3.895 1.00 0.00 C ATOM 1384 CE LYS A 89 94.469 6.201 -4.718 1.00 0.00 C ATOM 1385 NZ LYS A 89 95.661 7.064 -4.945 1.00 0.00 N ATOM 0 H LYS A 89 91.405 2.022 -4.437 1.00 0.00 H new ATOM 0 HA LYS A 89 93.124 4.196 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 89 92.764 2.486 -3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 89 94.420 2.374 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 89 92.938 5.006 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 89 94.070 4.273 -2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 89 95.746 5.356 -3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 89 95.460 4.286 -4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 89 94.038 5.867 -5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 89 93.687 6.741 -4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 95.385 7.897 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 96.045 7.373 -4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 96.386 6.526 -5.461 1.00 0.00 H new ATOM 1399 N ASN A 90 94.018 1.046 -5.875 1.00 0.00 N ATOM 1400 CA ASN A 90 94.838 0.176 -6.767 1.00 0.00 C ATOM 1401 C ASN A 90 94.115 -0.047 -8.099 1.00 0.00 C ATOM 1402 O ASN A 90 94.721 -0.398 -9.092 1.00 0.00 O ATOM 1403 CB ASN A 90 94.983 -1.145 -6.009 1.00 0.00 C ATOM 1404 CG ASN A 90 96.450 -1.579 -6.022 1.00 0.00 C ATOM 1405 OD1 ASN A 90 96.775 -2.649 -6.499 1.00 0.00 O ATOM 1406 ND2 ASN A 90 97.356 -0.790 -5.515 1.00 0.00 N ATOM 0 H ASN A 90 93.583 0.571 -5.084 1.00 0.00 H new ATOM 0 HA ASN A 90 95.805 0.620 -7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 90 94.636 -1.028 -4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 90 94.361 -1.912 -6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 90 98.337 -1.071 -5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 90 97.084 0.108 -5.115 1.00 0.00 H new ATOM 1413 N GLY A 91 92.826 0.154 -8.127 1.00 0.00 N ATOM 1414 CA GLY A 91 92.068 -0.047 -9.395 1.00 0.00 C ATOM 1415 C GLY A 91 91.556 -1.487 -9.463 1.00 0.00 C ATOM 1416 O GLY A 91 91.571 -2.113 -10.504 1.00 0.00 O ATOM 0 H GLY A 91 92.265 0.448 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 91 91.231 0.650 -9.445 1.00 0.00 H new ATOM 0 HA3 GLY A 91 92.709 0.163 -10.251 1.00 0.00 H new ATOM 1420 N TYR A 92 91.102 -2.018 -8.360 1.00 0.00 N ATOM 1421 CA TYR A 92 90.589 -3.419 -8.362 1.00 0.00 C ATOM 1422 C TYR A 92 89.298 -3.513 -9.179 1.00 0.00 C ATOM 1423 O TYR A 92 88.564 -2.552 -9.297 1.00 0.00 O ATOM 1424 CB TYR A 92 90.321 -3.745 -6.893 1.00 0.00 C ATOM 1425 CG TYR A 92 91.577 -4.295 -6.263 1.00 0.00 C ATOM 1426 CD1 TYR A 92 91.945 -5.628 -6.482 1.00 0.00 C ATOM 1427 CD2 TYR A 92 92.377 -3.473 -5.461 1.00 0.00 C ATOM 1428 CE1 TYR A 92 93.110 -6.139 -5.899 1.00 0.00 C ATOM 1429 CE2 TYR A 92 93.543 -3.983 -4.877 1.00 0.00 C ATOM 1430 CZ TYR A 92 93.909 -5.315 -5.096 1.00 0.00 C ATOM 1431 OH TYR A 92 95.059 -5.818 -4.521 1.00 0.00 O ATOM 0 H TYR A 92 91.064 -1.543 -7.458 1.00 0.00 H new ATOM 0 HA TYR A 92 91.297 -4.116 -8.812 1.00 0.00 H new ATOM 0 HB2 TYR A 92 89.998 -2.849 -6.363 1.00 0.00 H new ATOM 0 HB3 TYR A 92 89.513 -4.472 -6.812 1.00 0.00 H new ATOM 0 HD1 TYR A 92 91.329 -6.263 -7.102 1.00 0.00 H new ATOM 0 HD2 TYR A 92 92.095 -2.444 -5.292 1.00 0.00 H new ATOM 0 HE1 TYR A 92 93.393 -7.168 -6.068 1.00 0.00 H new ATOM 0 HE2 TYR A 92 94.159 -3.348 -4.258 1.00 0.00 H new ATOM 0 HH TYR A 92 95.497 -5.115 -3.996 1.00 0.00 H new ATOM 1441 N PRO A 93 89.066 -4.679 -9.721 1.00 0.00 N ATOM 1442 CA PRO A 93 87.853 -4.914 -10.542 1.00 0.00 C ATOM 1443 C PRO A 93 86.598 -4.886 -9.664 1.00 0.00 C ATOM 1444 O PRO A 93 86.603 -5.350 -8.541 1.00 0.00 O ATOM 1445 CB PRO A 93 88.069 -6.307 -11.130 1.00 0.00 C ATOM 1446 CG PRO A 93 89.078 -6.965 -10.241 1.00 0.00 C ATOM 1447 CD PRO A 93 89.909 -5.873 -9.620 1.00 0.00 C ATOM 0 HA PRO A 93 87.708 -4.153 -11.309 1.00 0.00 H new ATOM 0 HB2 PRO A 93 87.137 -6.872 -11.152 1.00 0.00 H new ATOM 0 HB3 PRO A 93 88.430 -6.248 -12.157 1.00 0.00 H new ATOM 0 HG2 PRO A 93 88.583 -7.556 -9.471 1.00 0.00 H new ATOM 0 HG3 PRO A 93 89.706 -7.648 -10.813 1.00 0.00 H new ATOM 0 HD2 PRO A 93 90.155 -6.100 -8.583 1.00 0.00 H new ATOM 0 HD3 PRO A 93 90.853 -5.740 -10.149 1.00 0.00 H new ATOM 1455 N LEU A 94 85.521 -4.348 -10.170 1.00 0.00 N ATOM 1456 CA LEU A 94 84.266 -4.294 -9.367 1.00 0.00 C ATOM 1457 C LEU A 94 83.077 -4.753 -10.218 1.00 0.00 C ATOM 1458 O LEU A 94 82.512 -3.979 -10.964 1.00 0.00 O ATOM 1459 CB LEU A 94 84.110 -2.824 -8.973 1.00 0.00 C ATOM 1460 CG LEU A 94 85.059 -2.503 -7.818 1.00 0.00 C ATOM 1461 CD1 LEU A 94 85.536 -1.054 -7.937 1.00 0.00 C ATOM 1462 CD2 LEU A 94 84.326 -2.689 -6.488 1.00 0.00 C ATOM 0 H LEU A 94 85.456 -3.944 -11.104 1.00 0.00 H new ATOM 0 HA LEU A 94 84.304 -4.946 -8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 94 84.329 -2.182 -9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 94 83.080 -2.623 -8.678 1.00 0.00 H new ATOM 0 HG LEU A 94 85.917 -3.173 -7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 94 86.213 -0.825 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 94 86.058 -0.920 -8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 94 84.677 -0.384 -7.898 1.00 0.00 H new ATOM 0 HD21 LEU A 94 85.003 -2.460 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 94 83.467 -2.019 -6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 94 83.985 -3.721 -6.402 1.00 0.00 H new ATOM 1474 N PRO A 95 82.743 -6.006 -10.075 1.00 0.00 N ATOM 1475 CA PRO A 95 81.611 -6.586 -10.841 1.00 0.00 C ATOM 1476 C PRO A 95 80.321 -5.812 -10.558 1.00 0.00 C ATOM 1477 O PRO A 95 79.616 -5.409 -11.462 1.00 0.00 O ATOM 1478 CB PRO A 95 81.506 -8.021 -10.325 1.00 0.00 C ATOM 1479 CG PRO A 95 82.812 -8.307 -9.650 1.00 0.00 C ATOM 1480 CD PRO A 95 83.383 -6.989 -9.199 1.00 0.00 C ATOM 0 HA PRO A 95 81.766 -6.542 -11.919 1.00 0.00 H new ATOM 0 HB2 PRO A 95 80.674 -8.126 -9.628 1.00 0.00 H new ATOM 0 HB3 PRO A 95 81.327 -8.719 -11.143 1.00 0.00 H new ATOM 0 HG2 PRO A 95 82.667 -8.974 -8.800 1.00 0.00 H new ATOM 0 HG3 PRO A 95 83.496 -8.808 -10.335 1.00 0.00 H new ATOM 0 HD2 PRO A 95 83.158 -6.795 -8.150 1.00 0.00 H new ATOM 0 HD3 PRO A 95 84.468 -6.968 -9.302 1.00 0.00 H new ATOM 1488 N GLU A 96 80.003 -5.605 -9.309 1.00 0.00 N ATOM 1489 CA GLU A 96 78.757 -4.860 -8.971 1.00 0.00 C ATOM 1490 C GLU A 96 79.100 -3.539 -8.282 1.00 0.00 C ATOM 1491 O GLU A 96 80.173 -2.996 -8.457 1.00 0.00 O ATOM 1492 CB GLU A 96 77.992 -5.780 -8.018 1.00 0.00 C ATOM 1493 CG GLU A 96 78.773 -5.924 -6.710 1.00 0.00 C ATOM 1494 CD GLU A 96 77.852 -5.614 -5.529 1.00 0.00 C ATOM 1495 OE1 GLU A 96 76.884 -6.333 -5.352 1.00 0.00 O ATOM 1496 OE2 GLU A 96 78.132 -4.660 -4.821 1.00 0.00 O ATOM 0 H GLU A 96 80.552 -5.919 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 96 78.171 -4.612 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 96 77.001 -5.372 -7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 96 77.848 -6.758 -8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 96 79.169 -6.935 -6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 96 79.626 -5.246 -6.707 1.00 0.00 H new ATOM 1503 N GLY A 97 78.199 -3.016 -7.496 1.00 0.00 N ATOM 1504 CA GLY A 97 78.475 -1.731 -6.795 1.00 0.00 C ATOM 1505 C GLY A 97 77.994 -0.562 -7.658 1.00 0.00 C ATOM 1506 O GLY A 97 77.235 0.276 -7.217 1.00 0.00 O ATOM 0 H GLY A 97 77.283 -3.424 -7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 97 77.969 -1.716 -5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 97 79.543 -1.635 -6.597 1.00 0.00 H new ATOM 1510 N LEU A 98 78.432 -0.499 -8.885 1.00 0.00 N ATOM 1511 CA LEU A 98 77.999 0.616 -9.773 1.00 0.00 C ATOM 1512 C LEU A 98 77.297 0.061 -11.016 1.00 0.00 C ATOM 1513 O LEU A 98 77.417 -1.107 -11.328 1.00 0.00 O ATOM 1514 CB LEU A 98 79.291 1.338 -10.158 1.00 0.00 C ATOM 1515 CG LEU A 98 80.235 0.359 -10.859 1.00 0.00 C ATOM 1516 CD1 LEU A 98 81.047 1.104 -11.918 1.00 0.00 C ATOM 1517 CD2 LEU A 98 81.186 -0.257 -9.830 1.00 0.00 C ATOM 0 H LEU A 98 79.071 -1.171 -9.311 1.00 0.00 H new ATOM 0 HA LEU A 98 77.290 1.284 -9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 98 79.068 2.178 -10.815 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.770 1.747 -9.269 1.00 0.00 H new ATOM 0 HG LEU A 98 79.652 -0.430 -11.335 1.00 0.00 H new ATOM 0 HD11 LEU A 98 81.720 0.407 -12.418 1.00 0.00 H new ATOM 0 HD12 LEU A 98 80.371 1.545 -12.651 1.00 0.00 H new ATOM 0 HD13 LEU A 98 81.630 1.892 -11.442 1.00 0.00 H new ATOM 0 HD21 LEU A 98 81.859 -0.955 -10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 98 81.768 0.532 -9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 98 80.609 -0.788 -9.073 1.00 0.00 H new ATOM 1529 N PRO A 99 76.581 0.925 -11.683 1.00 0.00 N ATOM 1530 CA PRO A 99 75.845 0.520 -12.905 1.00 0.00 C ATOM 1531 C PRO A 99 76.821 0.050 -13.986 1.00 0.00 C ATOM 1532 O PRO A 99 78.020 0.190 -13.846 1.00 0.00 O ATOM 1533 CB PRO A 99 75.118 1.793 -13.347 1.00 0.00 C ATOM 1534 CG PRO A 99 75.780 2.916 -12.612 1.00 0.00 C ATOM 1535 CD PRO A 99 76.389 2.340 -11.363 1.00 0.00 C ATOM 0 HA PRO A 99 75.160 -0.309 -12.727 1.00 0.00 H new ATOM 0 HB2 PRO A 99 75.194 1.933 -14.425 1.00 0.00 H new ATOM 0 HB3 PRO A 99 74.056 1.740 -13.107 1.00 0.00 H new ATOM 0 HG2 PRO A 99 76.546 3.382 -13.232 1.00 0.00 H new ATOM 0 HG3 PRO A 99 75.056 3.692 -12.363 1.00 0.00 H new ATOM 0 HD2 PRO A 99 77.334 2.826 -11.119 1.00 0.00 H new ATOM 0 HD3 PRO A 99 75.732 2.469 -10.503 1.00 0.00 H new ATOM 1543 N PRO A 100 76.267 -0.499 -15.033 1.00 0.00 N ATOM 1544 CA PRO A 100 77.093 -1.002 -16.158 1.00 0.00 C ATOM 1545 C PRO A 100 77.807 0.161 -16.856 1.00 0.00 C ATOM 1546 O PRO A 100 77.184 1.021 -17.445 1.00 0.00 O ATOM 1547 CB PRO A 100 76.082 -1.661 -17.098 1.00 0.00 C ATOM 1548 CG PRO A 100 74.747 -1.109 -16.706 1.00 0.00 C ATOM 1549 CD PRO A 100 74.834 -0.698 -15.261 1.00 0.00 C ATOM 0 HA PRO A 100 77.872 -1.693 -15.835 1.00 0.00 H new ATOM 0 HB2 PRO A 100 76.309 -1.434 -18.139 1.00 0.00 H new ATOM 0 HB3 PRO A 100 76.102 -2.746 -16.997 1.00 0.00 H new ATOM 0 HG2 PRO A 100 74.486 -0.256 -17.332 1.00 0.00 H new ATOM 0 HG3 PRO A 100 73.967 -1.857 -16.845 1.00 0.00 H new ATOM 0 HD2 PRO A 100 74.269 0.215 -15.071 1.00 0.00 H new ATOM 0 HD3 PRO A 100 74.428 -1.466 -14.603 1.00 0.00 H new ATOM 1557 N THR A 101 79.109 0.190 -16.793 1.00 0.00 N ATOM 1558 CA THR A 101 79.863 1.295 -17.452 1.00 0.00 C ATOM 1559 C THR A 101 80.767 0.732 -18.550 1.00 0.00 C ATOM 1560 O THR A 101 81.076 1.405 -19.513 1.00 0.00 O ATOM 1561 CB THR A 101 80.703 1.922 -16.338 1.00 0.00 C ATOM 1562 OG1 THR A 101 81.767 1.043 -16.001 1.00 0.00 O ATOM 1563 CG2 THR A 101 79.827 2.159 -15.108 1.00 0.00 C ATOM 0 H THR A 101 79.684 -0.503 -16.314 1.00 0.00 H new ATOM 0 HA THR A 101 79.202 2.023 -17.923 1.00 0.00 H new ATOM 0 HB THR A 101 81.110 2.874 -16.680 1.00 0.00 H new ATOM 0 HG1 THR A 101 82.308 1.443 -15.288 1.00 0.00 H new ATOM 0 HG21 THR A 101 80.427 2.606 -14.315 1.00 0.00 H new ATOM 0 HG22 THR A 101 79.010 2.832 -15.368 1.00 0.00 H new ATOM 0 HG23 THR A 101 79.419 1.209 -14.763 1.00 0.00 H new ATOM 1571 N LEU A 102 81.210 -0.494 -18.390 1.00 0.00 N ATOM 1572 CA LEU A 102 82.117 -1.131 -19.393 1.00 0.00 C ATOM 1573 C LEU A 102 83.525 -0.633 -19.153 1.00 0.00 C ATOM 1574 O LEU A 102 84.082 0.101 -19.945 1.00 0.00 O ATOM 1575 CB LEU A 102 81.635 -0.690 -20.772 1.00 0.00 C ATOM 1576 CG LEU A 102 81.987 -1.765 -21.802 1.00 0.00 C ATOM 1577 CD1 LEU A 102 81.446 -1.359 -23.175 1.00 0.00 C ATOM 1578 CD2 LEU A 102 83.508 -1.916 -21.879 1.00 0.00 C ATOM 0 H LEU A 102 80.976 -1.087 -17.594 1.00 0.00 H new ATOM 0 HA LEU A 102 82.108 -2.218 -19.316 1.00 0.00 H new ATOM 0 HB2 LEU A 102 80.558 -0.524 -20.757 1.00 0.00 H new ATOM 0 HB3 LEU A 102 82.099 0.257 -21.046 1.00 0.00 H new ATOM 0 HG LEU A 102 81.540 -2.713 -21.503 1.00 0.00 H new ATOM 0 HD11 LEU A 102 81.698 -2.126 -23.907 1.00 0.00 H new ATOM 0 HD12 LEU A 102 80.363 -1.250 -23.122 1.00 0.00 H new ATOM 0 HD13 LEU A 102 81.891 -0.411 -23.476 1.00 0.00 H new ATOM 0 HD21 LEU A 102 83.761 -2.682 -22.612 1.00 0.00 H new ATOM 0 HD22 LEU A 102 83.953 -0.967 -22.177 1.00 0.00 H new ATOM 0 HD23 LEU A 102 83.895 -2.207 -20.902 1.00 0.00 H new ATOM 1590 N GLN A 103 84.100 -1.003 -18.053 1.00 0.00 N ATOM 1591 CA GLN A 103 85.463 -0.521 -17.759 1.00 0.00 C ATOM 1592 C GLN A 103 86.354 -0.709 -18.988 1.00 0.00 C ATOM 1593 O GLN A 103 85.944 -1.304 -19.965 1.00 0.00 O ATOM 1594 CB GLN A 103 85.950 -1.373 -16.587 1.00 0.00 C ATOM 1595 CG GLN A 103 85.685 -0.632 -15.275 1.00 0.00 C ATOM 1596 CD GLN A 103 85.530 -1.643 -14.139 1.00 0.00 C ATOM 1597 OE1 GLN A 103 84.433 -2.059 -13.825 1.00 0.00 O ATOM 1598 NE2 GLN A 103 86.591 -2.060 -13.504 1.00 0.00 N ATOM 0 H GLN A 103 83.687 -1.615 -17.349 1.00 0.00 H new ATOM 0 HA GLN A 103 85.487 0.540 -17.510 1.00 0.00 H new ATOM 0 HB2 GLN A 103 85.437 -2.335 -16.584 1.00 0.00 H new ATOM 0 HB3 GLN A 103 87.015 -1.580 -16.692 1.00 0.00 H new ATOM 0 HG2 GLN A 103 86.507 0.051 -15.059 1.00 0.00 H new ATOM 0 HG3 GLN A 103 84.783 -0.027 -15.363 1.00 0.00 H new ATOM 0 HE21 GLN A 103 87.513 -1.711 -13.767 1.00 0.00 H new ATOM 0 HE22 GLN A 103 86.499 -2.735 -12.745 1.00 0.00 H new ATOM 1607 N PRO A 104 87.550 -0.195 -18.900 1.00 0.00 N ATOM 1608 CA PRO A 104 88.503 -0.312 -20.026 1.00 0.00 C ATOM 1609 C PRO A 104 88.498 -1.740 -20.581 1.00 0.00 C ATOM 1610 O PRO A 104 88.023 -1.990 -21.671 1.00 0.00 O ATOM 1611 CB PRO A 104 89.847 0.034 -19.395 1.00 0.00 C ATOM 1612 CG PRO A 104 89.520 0.882 -18.204 1.00 0.00 C ATOM 1613 CD PRO A 104 88.120 0.531 -17.761 1.00 0.00 C ATOM 0 HA PRO A 104 88.260 0.337 -20.868 1.00 0.00 H new ATOM 0 HB2 PRO A 104 90.386 -0.866 -19.100 1.00 0.00 H new ATOM 0 HB3 PRO A 104 90.484 0.572 -20.097 1.00 0.00 H new ATOM 0 HG2 PRO A 104 90.232 0.702 -17.399 1.00 0.00 H new ATOM 0 HG3 PRO A 104 89.587 1.940 -18.458 1.00 0.00 H new ATOM 0 HD2 PRO A 104 88.130 -0.085 -16.862 1.00 0.00 H new ATOM 0 HD3 PRO A 104 87.541 1.425 -17.529 1.00 0.00 H new ATOM 1621 N GLU A 105 89.020 -2.680 -19.840 1.00 0.00 N ATOM 1622 CA GLU A 105 89.041 -4.089 -20.327 1.00 0.00 C ATOM 1623 C GLU A 105 89.794 -4.185 -21.658 1.00 0.00 C ATOM 1624 O GLU A 105 89.725 -5.182 -22.350 1.00 0.00 O ATOM 1625 CB GLU A 105 87.571 -4.465 -20.518 1.00 0.00 C ATOM 1626 CG GLU A 105 87.459 -5.964 -20.805 1.00 0.00 C ATOM 1627 CD GLU A 105 86.523 -6.610 -19.783 1.00 0.00 C ATOM 1628 OE1 GLU A 105 86.980 -6.894 -18.688 1.00 0.00 O ATOM 1629 OE2 GLU A 105 85.366 -6.808 -20.112 1.00 0.00 O ATOM 0 H GLU A 105 89.433 -2.533 -18.919 1.00 0.00 H new ATOM 0 HA GLU A 105 89.548 -4.755 -19.629 1.00 0.00 H new ATOM 0 HB2 GLU A 105 87.001 -4.212 -19.624 1.00 0.00 H new ATOM 0 HB3 GLU A 105 87.143 -3.894 -21.342 1.00 0.00 H new ATOM 0 HG2 GLU A 105 87.079 -6.125 -21.814 1.00 0.00 H new ATOM 0 HG3 GLU A 105 88.444 -6.429 -20.757 1.00 0.00 H new ATOM 1636 N PHE A 106 90.513 -3.159 -22.022 1.00 0.00 N ATOM 1637 CA PHE A 106 91.268 -3.197 -23.308 1.00 0.00 C ATOM 1638 C PHE A 106 90.382 -3.752 -24.426 1.00 0.00 C ATOM 1639 O PHE A 106 90.369 -4.939 -24.688 1.00 0.00 O ATOM 1640 CB PHE A 106 92.446 -4.135 -23.044 1.00 0.00 C ATOM 1641 CG PHE A 106 93.696 -3.324 -22.797 1.00 0.00 C ATOM 1642 CD1 PHE A 106 93.919 -2.747 -21.541 1.00 0.00 C ATOM 1643 CD2 PHE A 106 94.632 -3.152 -23.823 1.00 0.00 C ATOM 1644 CE1 PHE A 106 95.079 -1.998 -21.311 1.00 0.00 C ATOM 1645 CE2 PHE A 106 95.793 -2.404 -23.593 1.00 0.00 C ATOM 1646 CZ PHE A 106 96.016 -1.826 -22.337 1.00 0.00 C ATOM 0 H PHE A 106 90.611 -2.297 -21.486 1.00 0.00 H new ATOM 0 HA PHE A 106 91.595 -2.207 -23.625 1.00 0.00 H new ATOM 0 HB2 PHE A 106 92.234 -4.767 -22.181 1.00 0.00 H new ATOM 0 HB3 PHE A 106 92.594 -4.798 -23.896 1.00 0.00 H new ATOM 0 HD1 PHE A 106 93.196 -2.880 -20.750 1.00 0.00 H new ATOM 0 HD2 PHE A 106 94.459 -3.596 -24.792 1.00 0.00 H new ATOM 0 HE1 PHE A 106 95.251 -1.553 -20.342 1.00 0.00 H new ATOM 0 HE2 PHE A 106 96.516 -2.273 -24.384 1.00 0.00 H new ATOM 0 HZ PHE A 106 96.911 -1.248 -22.160 1.00 0.00 H new ATOM 1656 N ILE A 107 89.641 -2.906 -25.087 1.00 0.00 N ATOM 1657 CA ILE A 107 88.759 -3.390 -26.186 1.00 0.00 C ATOM 1658 C ILE A 107 89.531 -3.431 -27.508 1.00 0.00 C ATOM 1659 O ILE A 107 89.544 -4.430 -28.199 1.00 0.00 O ATOM 1660 CB ILE A 107 87.619 -2.375 -26.257 1.00 0.00 C ATOM 1661 CG1 ILE A 107 86.656 -2.613 -25.091 1.00 0.00 C ATOM 1662 CG2 ILE A 107 86.867 -2.541 -27.579 1.00 0.00 C ATOM 1663 CD1 ILE A 107 85.515 -1.595 -25.153 1.00 0.00 C ATOM 0 H ILE A 107 89.608 -1.901 -24.914 1.00 0.00 H new ATOM 0 HA ILE A 107 88.392 -4.400 -26.005 1.00 0.00 H new ATOM 0 HB ILE A 107 88.026 -1.366 -26.196 1.00 0.00 H new ATOM 0 HG12 ILE A 107 86.256 -3.626 -25.137 1.00 0.00 H new ATOM 0 HG13 ILE A 107 87.187 -2.523 -24.143 1.00 0.00 H new ATOM 0 HG21 ILE A 107 86.054 -1.817 -27.629 1.00 0.00 H new ATOM 0 HG22 ILE A 107 87.552 -2.375 -28.411 1.00 0.00 H new ATOM 0 HG23 ILE A 107 86.458 -3.550 -27.641 1.00 0.00 H new ATOM 0 HD11 ILE A 107 84.830 -1.765 -24.322 1.00 0.00 H new ATOM 0 HD12 ILE A 107 85.923 -0.587 -25.086 1.00 0.00 H new ATOM 0 HD13 ILE A 107 84.978 -1.707 -26.095 1.00 0.00 H new ATOM 1675 N VAL A 108 90.177 -2.354 -27.866 1.00 0.00 N ATOM 1676 CA VAL A 108 90.947 -2.340 -29.142 1.00 0.00 C ATOM 1677 C VAL A 108 92.297 -3.036 -28.954 1.00 0.00 C ATOM 1678 O VAL A 108 93.003 -2.793 -27.995 1.00 0.00 O ATOM 1679 CB VAL A 108 91.146 -0.859 -29.471 1.00 0.00 C ATOM 1680 CG1 VAL A 108 92.131 -0.243 -28.476 1.00 0.00 C ATOM 1681 CG2 VAL A 108 91.703 -0.722 -30.890 1.00 0.00 C ATOM 0 H VAL A 108 90.205 -1.486 -27.331 1.00 0.00 H new ATOM 0 HA VAL A 108 90.428 -2.868 -29.942 1.00 0.00 H new ATOM 0 HB VAL A 108 90.189 -0.341 -29.404 1.00 0.00 H new ATOM 0 HG11 VAL A 108 92.273 0.812 -28.710 1.00 0.00 H new ATOM 0 HG12 VAL A 108 91.735 -0.340 -27.465 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.088 -0.761 -28.543 1.00 0.00 H new ATOM 0 HG21 VAL A 108 91.845 0.333 -31.125 1.00 0.00 H new ATOM 0 HG22 VAL A 108 92.659 -1.241 -30.957 1.00 0.00 H new ATOM 0 HG23 VAL A 108 91.002 -1.161 -31.600 1.00 0.00 H new ATOM 1691 N THR A 109 92.661 -3.902 -29.859 1.00 0.00 N ATOM 1692 CA THR A 109 93.964 -4.615 -29.729 1.00 0.00 C ATOM 1693 C THR A 109 94.983 -4.048 -30.720 1.00 0.00 C ATOM 1694 O THR A 109 95.835 -4.755 -31.222 1.00 0.00 O ATOM 1695 CB THR A 109 93.651 -6.075 -30.057 1.00 0.00 C ATOM 1696 OG1 THR A 109 94.836 -6.850 -29.944 1.00 0.00 O ATOM 1697 CG2 THR A 109 93.106 -6.174 -31.482 1.00 0.00 C ATOM 0 H THR A 109 92.113 -4.147 -30.683 1.00 0.00 H new ATOM 0 HA THR A 109 94.396 -4.504 -28.735 1.00 0.00 H new ATOM 0 HB THR A 109 92.904 -6.452 -29.359 1.00 0.00 H new ATOM 0 HG1 THR A 109 95.564 -6.407 -30.427 1.00 0.00 H new ATOM 0 HG21 THR A 109 92.883 -7.215 -31.715 1.00 0.00 H new ATOM 0 HG22 THR A 109 92.195 -5.581 -31.565 1.00 0.00 H new ATOM 0 HG23 THR A 109 93.850 -5.797 -32.183 1.00 0.00 H new ATOM 1705 N ASP A 110 94.905 -2.777 -31.007 1.00 0.00 N ATOM 1706 CA ASP A 110 95.872 -2.170 -31.966 1.00 0.00 C ATOM 1707 C ASP A 110 95.739 -2.832 -33.340 1.00 0.00 C ATOM 1708 O ASP A 110 96.004 -2.164 -34.326 1.00 0.00 O ATOM 1709 CB ASP A 110 97.251 -2.448 -31.367 1.00 0.00 C ATOM 1710 CG ASP A 110 98.299 -1.586 -32.074 1.00 0.00 C ATOM 1711 OD1 ASP A 110 98.248 -1.504 -33.290 1.00 0.00 O ATOM 1712 OD2 ASP A 110 99.135 -1.022 -31.387 1.00 0.00 O ATOM 1713 OXT ASP A 110 95.373 -3.995 -33.382 1.00 0.00 O ATOM 0 H ASP A 110 94.215 -2.134 -30.620 1.00 0.00 H new ATOM 0 HA ASP A 110 95.698 -1.104 -32.110 1.00 0.00 H new ATOM 0 HB2 ASP A 110 97.246 -2.230 -30.299 1.00 0.00 H new ATOM 0 HB3 ASP A 110 97.500 -3.504 -31.475 1.00 0.00 H new TER 1718 ASP A 110 HETATM 1719 CA CA A 111 74.736 0.537 8.423 1.00 0.00 CA