USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 911 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 114 SER OG : rot 120:sc= 0 USER MOD Set 1.2: A 115 ASN : amide:sc= 0.506 K(o=0.51,f=-2.6!) USER MOD Set 2.1: A 65 LYS NZ :NH3+ 152:sc= 0.0706 (180deg=0) USER MOD Set 2.2: A 110 THR OG1 : rot -126:sc= 0.0733 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0313 USER MOD Single : A 3 SER OG : rot 180:sc= -0.183 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.326 K(o=0.33,f=-5.2!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -23:sc= 0.769 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0674 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -5.09! C(o=-5.1!,f=-14!) USER MOD Single : A 42 SER OG : rot 150:sc= -0.399 USER MOD Single : A 44 SER OG : rot 180:sc= -0.55 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0989 USER MOD Single : A 56 THR OG1 : rot -56:sc= 0.212 USER MOD Single : A 57 GLN : amide:sc= 0.00459 K(o=0.0046,f=-0.83) USER MOD Single : A 58 ASN : amide:sc= 0.857 K(o=0.86,f=-0.28) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 64 TYR OH : rot 150:sc= -0.224 USER MOD Single : A 68 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.094) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0178) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0748 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -1:sc= 0.377 USER MOD Single : A 83 ASN : amide:sc= 0.717 K(o=0.72,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.19) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -25:sc= 0.474 USER MOD Single : A 97 GLN : amide:sc= -5.07! K(o=-5.1!,f=-1.4) USER MOD Single : A 98 TYR OH : rot 100:sc= 0.55 USER MOD Single : A 99 SER OG : rot -160:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -4.53 X(o=-4.5,f=-4.2!) USER MOD Single : A 103 SER OG : rot 120:sc= -0.444 USER MOD Single : A 105 MET CE :methyl -111:sc= -1.51 (180deg=-3.22!) USER MOD Single : A 106 THR OG1 : rot 140:sc= -0.983 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 124 ASN : amide:sc= -0.0614 K(o=-0.061,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.736 -32.131 32.044 1.00 0.00 N ATOM 2 CA GLY A 1 16.805 -33.107 32.149 1.00 0.00 C ATOM 3 C GLY A 1 18.179 -32.473 32.072 1.00 0.00 C ATOM 4 O GLY A 1 18.797 -32.442 31.008 1.00 0.00 O ATOM 0 H1 GLY A 1 14.817 -32.615 32.102 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.815 -31.444 32.821 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.808 -31.634 31.134 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.709 -33.646 33.092 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.702 -33.841 31.350 1.00 0.00 H new ATOM 8 N SER A 2 18.659 -31.965 33.203 1.00 0.00 N ATOM 9 CA SER A 2 19.967 -31.323 33.258 1.00 0.00 C ATOM 10 C SER A 2 20.613 -31.524 34.625 1.00 0.00 C ATOM 11 O SER A 2 20.023 -32.129 35.520 1.00 0.00 O ATOM 12 CB SER A 2 19.839 -29.829 32.956 1.00 0.00 C ATOM 13 OG SER A 2 19.174 -29.612 31.724 1.00 0.00 O ATOM 0 H SER A 2 18.162 -31.986 34.093 1.00 0.00 H new ATOM 0 HA SER A 2 20.603 -31.785 32.503 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.291 -29.338 33.760 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.830 -29.376 32.923 1.00 0.00 H new ATOM 0 HG SER A 2 19.104 -28.649 31.555 1.00 0.00 H new ATOM 19 N SER A 3 21.830 -31.012 34.778 1.00 0.00 N ATOM 20 CA SER A 3 22.560 -31.137 36.035 1.00 0.00 C ATOM 21 C SER A 3 22.724 -29.777 36.706 1.00 0.00 C ATOM 22 O SER A 3 22.437 -29.619 37.892 1.00 0.00 O ATOM 23 CB SER A 3 23.932 -31.768 35.791 1.00 0.00 C ATOM 24 OG SER A 3 24.767 -30.900 35.044 1.00 0.00 O ATOM 0 H SER A 3 22.332 -30.507 34.048 1.00 0.00 H new ATOM 0 HA SER A 3 21.984 -31.782 36.699 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.404 -32.000 36.746 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.812 -32.711 35.258 1.00 0.00 H new ATOM 0 HG SER A 3 25.638 -31.326 34.903 1.00 0.00 H new ATOM 30 N GLY A 4 23.190 -28.797 35.937 1.00 0.00 N ATOM 31 CA GLY A 4 23.385 -27.463 36.473 1.00 0.00 C ATOM 32 C GLY A 4 24.850 -27.127 36.673 1.00 0.00 C ATOM 33 O GLY A 4 25.548 -27.793 37.437 1.00 0.00 O ATOM 0 H GLY A 4 23.436 -28.904 34.953 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.937 -26.734 35.797 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.862 -27.378 37.426 1.00 0.00 H new ATOM 37 N SER A 5 25.317 -26.092 35.983 1.00 0.00 N ATOM 38 CA SER A 5 26.710 -25.672 36.084 1.00 0.00 C ATOM 39 C SER A 5 26.948 -24.386 35.298 1.00 0.00 C ATOM 40 O SER A 5 26.517 -24.257 34.153 1.00 0.00 O ATOM 41 CB SER A 5 27.636 -26.776 35.570 1.00 0.00 C ATOM 42 OG SER A 5 27.583 -26.869 34.156 1.00 0.00 O ATOM 0 H SER A 5 24.752 -25.529 35.348 1.00 0.00 H new ATOM 0 HA SER A 5 26.931 -25.482 37.134 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.659 -26.573 35.886 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.349 -27.730 36.011 1.00 0.00 H new ATOM 0 HG SER A 5 28.185 -27.580 33.852 1.00 0.00 H new ATOM 48 N SER A 6 27.638 -23.437 35.924 1.00 0.00 N ATOM 49 CA SER A 6 27.931 -22.159 35.286 1.00 0.00 C ATOM 50 C SER A 6 28.841 -21.308 36.167 1.00 0.00 C ATOM 51 O SER A 6 29.049 -21.613 37.340 1.00 0.00 O ATOM 52 CB SER A 6 26.634 -21.402 34.992 1.00 0.00 C ATOM 53 OG SER A 6 25.830 -21.298 36.155 1.00 0.00 O ATOM 0 H SER A 6 28.004 -23.529 36.872 1.00 0.00 H new ATOM 0 HA SER A 6 28.447 -22.360 34.347 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.868 -20.406 34.617 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.079 -21.916 34.207 1.00 0.00 H new ATOM 0 HG SER A 6 25.008 -20.809 35.942 1.00 0.00 H new ATOM 59 N GLY A 7 29.382 -20.239 35.590 1.00 0.00 N ATOM 60 CA GLY A 7 30.263 -19.360 36.336 1.00 0.00 C ATOM 61 C GLY A 7 31.012 -18.393 35.440 1.00 0.00 C ATOM 62 O GLY A 7 32.039 -18.743 34.860 1.00 0.00 O ATOM 0 H GLY A 7 29.226 -19.966 34.620 1.00 0.00 H new ATOM 0 HA2 GLY A 7 29.679 -18.798 37.064 1.00 0.00 H new ATOM 0 HA3 GLY A 7 30.979 -19.960 36.897 1.00 0.00 H new ATOM 66 N ASN A 8 30.495 -17.174 35.325 1.00 0.00 N ATOM 67 CA ASN A 8 31.120 -16.155 34.491 1.00 0.00 C ATOM 68 C ASN A 8 30.416 -14.811 34.655 1.00 0.00 C ATOM 69 O ASN A 8 29.282 -14.747 35.130 1.00 0.00 O ATOM 70 CB ASN A 8 31.094 -16.581 33.022 1.00 0.00 C ATOM 71 CG ASN A 8 32.071 -15.791 32.173 1.00 0.00 C ATOM 72 OD1 ASN A 8 32.854 -14.993 32.688 1.00 0.00 O ATOM 73 ND2 ASN A 8 32.028 -16.009 30.864 1.00 0.00 N ATOM 0 H ASN A 8 29.645 -16.868 35.799 1.00 0.00 H new ATOM 0 HA ASN A 8 32.156 -16.044 34.811 1.00 0.00 H new ATOM 0 HB2 ASN A 8 31.331 -17.643 32.950 1.00 0.00 H new ATOM 0 HB3 ASN A 8 30.086 -16.452 32.627 1.00 0.00 H new ATOM 0 HD21 ASN A 8 32.661 -15.506 30.242 1.00 0.00 H new ATOM 0 HD22 ASN A 8 31.362 -16.680 30.480 1.00 0.00 H new ATOM 80 N ARG A 9 31.095 -13.741 34.256 1.00 0.00 N ATOM 81 CA ARG A 9 30.535 -12.398 34.359 1.00 0.00 C ATOM 82 C ARG A 9 31.151 -11.471 33.316 1.00 0.00 C ATOM 83 O ARG A 9 32.317 -11.619 32.949 1.00 0.00 O ATOM 84 CB ARG A 9 30.768 -11.832 35.761 1.00 0.00 C ATOM 85 CG ARG A 9 30.557 -10.330 35.854 1.00 0.00 C ATOM 86 CD ARG A 9 30.528 -9.859 37.299 1.00 0.00 C ATOM 87 NE ARG A 9 31.871 -9.642 37.831 1.00 0.00 N ATOM 88 CZ ARG A 9 32.628 -10.611 38.334 1.00 0.00 C ATOM 89 NH1 ARG A 9 32.177 -11.857 38.372 1.00 0.00 N ATOM 90 NH2 ARG A 9 33.840 -10.334 38.799 1.00 0.00 N ATOM 0 H ARG A 9 32.034 -13.777 33.858 1.00 0.00 H new ATOM 0 HA ARG A 9 29.463 -12.463 34.174 1.00 0.00 H new ATOM 0 HB2 ARG A 9 30.096 -12.329 36.461 1.00 0.00 H new ATOM 0 HB3 ARG A 9 31.785 -12.068 36.074 1.00 0.00 H new ATOM 0 HG2 ARG A 9 31.355 -9.816 35.319 1.00 0.00 H new ATOM 0 HG3 ARG A 9 29.621 -10.062 35.364 1.00 0.00 H new ATOM 0 HD2 ARG A 9 29.957 -8.933 37.367 1.00 0.00 H new ATOM 0 HD3 ARG A 9 30.011 -10.598 37.911 1.00 0.00 H new ATOM 0 HE ARG A 9 32.248 -8.694 37.815 1.00 0.00 H new ATOM 0 HH11 ARG A 9 31.247 -12.074 38.014 1.00 0.00 H new ATOM 0 HH12 ARG A 9 32.760 -12.599 38.759 1.00 0.00 H new ATOM 0 HH21 ARG A 9 34.191 -9.377 38.770 1.00 0.00 H new ATOM 0 HH22 ARG A 9 34.421 -11.079 39.185 1.00 0.00 H new ATOM 104 N TYR A 10 30.360 -10.515 32.841 1.00 0.00 N ATOM 105 CA TYR A 10 30.827 -9.565 31.838 1.00 0.00 C ATOM 106 C TYR A 10 29.948 -8.318 31.819 1.00 0.00 C ATOM 107 O TYR A 10 28.850 -8.310 32.373 1.00 0.00 O ATOM 108 CB TYR A 10 30.836 -10.217 30.454 1.00 0.00 C ATOM 109 CG TYR A 10 29.458 -10.561 29.937 1.00 0.00 C ATOM 110 CD1 TYR A 10 28.601 -11.371 30.671 1.00 0.00 C ATOM 111 CD2 TYR A 10 29.012 -10.074 28.714 1.00 0.00 C ATOM 112 CE1 TYR A 10 27.341 -11.688 30.202 1.00 0.00 C ATOM 113 CE2 TYR A 10 27.753 -10.385 28.238 1.00 0.00 C ATOM 114 CZ TYR A 10 26.921 -11.193 28.985 1.00 0.00 C ATOM 115 OH TYR A 10 25.666 -11.505 28.515 1.00 0.00 O ATOM 0 H TYR A 10 29.393 -10.377 33.134 1.00 0.00 H new ATOM 0 HA TYR A 10 31.843 -9.268 32.100 1.00 0.00 H new ATOM 0 HB2 TYR A 10 31.322 -9.544 29.748 1.00 0.00 H new ATOM 0 HB3 TYR A 10 31.437 -11.125 30.494 1.00 0.00 H new ATOM 0 HD1 TYR A 10 28.925 -11.760 31.625 1.00 0.00 H new ATOM 0 HD2 TYR A 10 29.661 -9.442 28.126 1.00 0.00 H new ATOM 0 HE1 TYR A 10 26.688 -12.320 30.785 1.00 0.00 H new ATOM 0 HE2 TYR A 10 27.422 -9.998 27.286 1.00 0.00 H new ATOM 0 HH TYR A 10 25.526 -11.076 27.645 1.00 0.00 H new ATOM 125 N GLY A 11 30.442 -7.264 31.175 1.00 0.00 N ATOM 126 CA GLY A 11 29.690 -6.026 31.094 1.00 0.00 C ATOM 127 C GLY A 11 29.729 -5.414 29.708 1.00 0.00 C ATOM 128 O GLY A 11 30.565 -4.562 29.405 1.00 0.00 O ATOM 0 H GLY A 11 31.349 -7.246 30.709 1.00 0.00 H new ATOM 0 HA2 GLY A 11 28.654 -6.215 31.376 1.00 0.00 H new ATOM 0 HA3 GLY A 11 30.091 -5.313 31.814 1.00 0.00 H new ATOM 132 N PRO A 12 28.807 -5.851 28.838 1.00 0.00 N ATOM 133 CA PRO A 12 28.719 -5.355 27.461 1.00 0.00 C ATOM 134 C PRO A 12 28.236 -3.910 27.396 1.00 0.00 C ATOM 135 O PRO A 12 28.740 -3.112 26.606 1.00 0.00 O ATOM 136 CB PRO A 12 27.696 -6.290 26.812 1.00 0.00 C ATOM 137 CG PRO A 12 26.860 -6.782 27.943 1.00 0.00 C ATOM 138 CD PRO A 12 27.779 -6.864 29.130 1.00 0.00 C ATOM 0 HA PRO A 12 29.690 -5.353 26.965 1.00 0.00 H new ATOM 0 HB2 PRO A 12 27.092 -5.764 26.073 1.00 0.00 H new ATOM 0 HB3 PRO A 12 28.186 -7.115 26.294 1.00 0.00 H new ATOM 0 HG2 PRO A 12 26.029 -6.104 28.138 1.00 0.00 H new ATOM 0 HG3 PRO A 12 26.429 -7.757 27.715 1.00 0.00 H new ATOM 0 HD2 PRO A 12 27.254 -6.647 30.060 1.00 0.00 H new ATOM 0 HD3 PRO A 12 28.213 -7.858 29.234 1.00 0.00 H new ATOM 146 N GLY A 13 27.257 -3.579 28.232 1.00 0.00 N ATOM 147 CA GLY A 13 26.723 -2.230 28.253 1.00 0.00 C ATOM 148 C GLY A 13 26.122 -1.823 26.922 1.00 0.00 C ATOM 149 O GLY A 13 26.458 -2.389 25.882 1.00 0.00 O ATOM 0 H GLY A 13 26.824 -4.221 28.895 1.00 0.00 H new ATOM 0 HA2 GLY A 13 25.962 -2.156 29.030 1.00 0.00 H new ATOM 0 HA3 GLY A 13 27.517 -1.532 28.518 1.00 0.00 H new ATOM 153 N VAL A 14 25.227 -0.840 26.954 1.00 0.00 N ATOM 154 CA VAL A 14 24.576 -0.359 25.742 1.00 0.00 C ATOM 155 C VAL A 14 23.749 0.891 26.021 1.00 0.00 C ATOM 156 O VAL A 14 22.783 0.851 26.782 1.00 0.00 O ATOM 157 CB VAL A 14 23.665 -1.438 25.128 1.00 0.00 C ATOM 158 CG1 VAL A 14 22.453 -1.681 26.015 1.00 0.00 C ATOM 159 CG2 VAL A 14 23.236 -1.038 23.724 1.00 0.00 C ATOM 0 H VAL A 14 24.937 -0.362 27.807 1.00 0.00 H new ATOM 0 HA VAL A 14 25.367 -0.116 25.033 1.00 0.00 H new ATOM 0 HB VAL A 14 24.229 -2.368 25.060 1.00 0.00 H new ATOM 0 HG11 VAL A 14 21.821 -2.446 25.565 1.00 0.00 H new ATOM 0 HG12 VAL A 14 22.783 -2.015 26.999 1.00 0.00 H new ATOM 0 HG13 VAL A 14 21.886 -0.756 26.117 1.00 0.00 H new ATOM 0 HG21 VAL A 14 22.593 -1.812 23.306 1.00 0.00 H new ATOM 0 HG22 VAL A 14 22.690 -0.096 23.765 1.00 0.00 H new ATOM 0 HG23 VAL A 14 24.118 -0.919 23.094 1.00 0.00 H new ATOM 169 N SER A 15 24.135 2.000 25.398 1.00 0.00 N ATOM 170 CA SER A 15 23.432 3.264 25.582 1.00 0.00 C ATOM 171 C SER A 15 22.032 3.199 24.979 1.00 0.00 C ATOM 172 O SER A 15 21.652 2.201 24.366 1.00 0.00 O ATOM 173 CB SER A 15 24.221 4.409 24.945 1.00 0.00 C ATOM 174 OG SER A 15 24.129 4.367 23.531 1.00 0.00 O ATOM 0 H SER A 15 24.931 2.049 24.762 1.00 0.00 H new ATOM 0 HA SER A 15 23.340 3.448 26.652 1.00 0.00 H new ATOM 0 HB2 SER A 15 23.841 5.363 25.309 1.00 0.00 H new ATOM 0 HB3 SER A 15 25.267 4.346 25.247 1.00 0.00 H new ATOM 0 HG SER A 15 24.640 5.110 23.148 1.00 0.00 H new ATOM 180 N THR A 16 21.266 4.271 25.158 1.00 0.00 N ATOM 181 CA THR A 16 19.908 4.337 24.634 1.00 0.00 C ATOM 182 C THR A 16 19.435 5.781 24.513 1.00 0.00 C ATOM 183 O THR A 16 19.673 6.599 25.403 1.00 0.00 O ATOM 184 CB THR A 16 18.923 3.559 25.526 1.00 0.00 C ATOM 185 OG1 THR A 16 19.396 2.222 25.727 1.00 0.00 O ATOM 186 CG2 THR A 16 17.537 3.523 24.899 1.00 0.00 C ATOM 0 H THR A 16 21.564 5.106 25.663 1.00 0.00 H new ATOM 0 HA THR A 16 19.929 3.880 23.645 1.00 0.00 H new ATOM 0 HB THR A 16 18.856 4.069 26.487 1.00 0.00 H new ATOM 0 HG1 THR A 16 20.008 1.979 25.001 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.859 2.968 25.547 1.00 0.00 H new ATOM 0 HG22 THR A 16 17.168 4.541 24.774 1.00 0.00 H new ATOM 0 HG23 THR A 16 17.590 3.034 23.926 1.00 0.00 H new ATOM 194 N ASP A 17 18.763 6.088 23.409 1.00 0.00 N ATOM 195 CA ASP A 17 18.254 7.435 23.174 1.00 0.00 C ATOM 196 C ASP A 17 17.178 7.427 22.093 1.00 0.00 C ATOM 197 O ASP A 17 17.092 6.494 21.294 1.00 0.00 O ATOM 198 CB ASP A 17 19.394 8.370 22.769 1.00 0.00 C ATOM 199 CG ASP A 17 18.975 9.827 22.767 1.00 0.00 C ATOM 200 OD1 ASP A 17 18.962 10.442 23.854 1.00 0.00 O ATOM 201 OD2 ASP A 17 18.658 10.352 21.679 1.00 0.00 O ATOM 0 H ASP A 17 18.558 5.423 22.663 1.00 0.00 H new ATOM 0 HA ASP A 17 17.810 7.797 24.101 1.00 0.00 H new ATOM 0 HB2 ASP A 17 20.231 8.237 23.455 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.749 8.096 21.776 1.00 0.00 H new ATOM 206 N ASP A 18 16.358 8.472 22.074 1.00 0.00 N ATOM 207 CA ASP A 18 15.286 8.586 21.092 1.00 0.00 C ATOM 208 C ASP A 18 15.539 9.756 20.146 1.00 0.00 C ATOM 209 O ASP A 18 16.553 10.446 20.254 1.00 0.00 O ATOM 210 CB ASP A 18 13.939 8.763 21.793 1.00 0.00 C ATOM 211 CG ASP A 18 14.065 9.500 23.112 1.00 0.00 C ATOM 212 OD1 ASP A 18 14.621 8.916 24.066 1.00 0.00 O ATOM 213 OD2 ASP A 18 13.607 10.659 23.191 1.00 0.00 O ATOM 0 H ASP A 18 16.415 9.253 22.728 1.00 0.00 H new ATOM 0 HA ASP A 18 15.263 7.667 20.507 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.261 9.310 21.138 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.493 7.784 21.968 1.00 0.00 H new ATOM 218 N ILE A 19 14.612 9.972 19.219 1.00 0.00 N ATOM 219 CA ILE A 19 14.734 11.058 18.254 1.00 0.00 C ATOM 220 C ILE A 19 13.484 11.930 18.246 1.00 0.00 C ATOM 221 O ILE A 19 13.024 12.368 17.191 1.00 0.00 O ATOM 222 CB ILE A 19 14.982 10.522 16.832 1.00 0.00 C ATOM 223 CG1 ILE A 19 16.033 9.410 16.858 1.00 0.00 C ATOM 224 CG2 ILE A 19 15.418 11.650 15.909 1.00 0.00 C ATOM 225 CD1 ILE A 19 16.168 8.676 15.542 1.00 0.00 C ATOM 0 H ILE A 19 13.768 9.409 19.116 1.00 0.00 H new ATOM 0 HA ILE A 19 15.590 11.658 18.562 1.00 0.00 H new ATOM 0 HB ILE A 19 14.050 10.106 16.449 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.998 9.840 17.126 1.00 0.00 H new ATOM 0 HG13 ILE A 19 15.774 8.695 17.639 1.00 0.00 H new ATOM 0 HG21 ILE A 19 15.589 11.255 14.908 1.00 0.00 H new ATOM 0 HG22 ILE A 19 14.638 12.411 15.871 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.339 12.094 16.287 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.930 7.902 15.634 1.00 0.00 H new ATOM 0 HD12 ILE A 19 15.214 8.217 15.282 1.00 0.00 H new ATOM 0 HD13 ILE A 19 16.457 9.379 14.761 1.00 0.00 H new ATOM 237 N THR A 20 12.937 12.181 19.432 1.00 0.00 N ATOM 238 CA THR A 20 11.740 13.002 19.563 1.00 0.00 C ATOM 239 C THR A 20 12.023 14.451 19.184 1.00 0.00 C ATOM 240 O THR A 20 13.175 14.885 19.163 1.00 0.00 O ATOM 241 CB THR A 20 11.182 12.958 20.998 1.00 0.00 C ATOM 242 OG1 THR A 20 9.886 13.566 21.039 1.00 0.00 O ATOM 243 CG2 THR A 20 12.114 13.674 21.963 1.00 0.00 C ATOM 0 H THR A 20 13.304 11.827 20.315 1.00 0.00 H new ATOM 0 HA THR A 20 10.998 12.589 18.880 1.00 0.00 H new ATOM 0 HB THR A 20 11.103 11.914 21.301 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.538 13.532 21.954 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.699 13.630 22.970 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.091 13.191 21.952 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.221 14.716 21.660 1.00 0.00 H new ATOM 251 N VAL A 21 10.964 15.198 18.886 1.00 0.00 N ATOM 252 CA VAL A 21 11.099 16.600 18.510 1.00 0.00 C ATOM 253 C VAL A 21 9.771 17.337 18.649 1.00 0.00 C ATOM 254 O VAL A 21 8.708 16.782 18.368 1.00 0.00 O ATOM 255 CB VAL A 21 11.605 16.747 17.063 1.00 0.00 C ATOM 256 CG1 VAL A 21 10.633 16.100 16.088 1.00 0.00 C ATOM 257 CG2 VAL A 21 11.820 18.214 16.720 1.00 0.00 C ATOM 0 H VAL A 21 10.003 14.855 18.898 1.00 0.00 H new ATOM 0 HA VAL A 21 11.829 17.040 19.189 1.00 0.00 H new ATOM 0 HB VAL A 21 12.563 16.233 16.978 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.008 16.214 15.071 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.535 15.040 16.322 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.659 16.582 16.172 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.178 18.299 15.694 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.878 18.753 16.822 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.558 18.642 17.398 1.00 0.00 H new ATOM 267 N VAL A 22 9.839 18.591 19.085 1.00 0.00 N ATOM 268 CA VAL A 22 8.642 19.405 19.260 1.00 0.00 C ATOM 269 C VAL A 22 8.547 20.481 18.185 1.00 0.00 C ATOM 270 O VAL A 22 8.277 21.646 18.478 1.00 0.00 O ATOM 271 CB VAL A 22 8.619 20.076 20.646 1.00 0.00 C ATOM 272 CG1 VAL A 22 7.285 20.769 20.881 1.00 0.00 C ATOM 273 CG2 VAL A 22 8.897 19.054 21.738 1.00 0.00 C ATOM 0 H VAL A 22 10.710 19.065 19.323 1.00 0.00 H new ATOM 0 HA VAL A 22 7.787 18.734 19.174 1.00 0.00 H new ATOM 0 HB VAL A 22 9.405 20.831 20.678 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.287 21.238 21.865 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.131 21.531 20.117 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.480 20.036 20.830 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.877 19.546 22.710 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.135 18.275 21.710 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.878 18.608 21.577 1.00 0.00 H new ATOM 283 N THR A 23 8.771 20.084 16.936 1.00 0.00 N ATOM 284 CA THR A 23 8.712 21.014 15.816 1.00 0.00 C ATOM 285 C THR A 23 7.422 20.838 15.023 1.00 0.00 C ATOM 286 O THR A 23 7.022 19.716 14.709 1.00 0.00 O ATOM 287 CB THR A 23 9.913 20.830 14.868 1.00 0.00 C ATOM 288 OG1 THR A 23 11.135 20.879 15.612 1.00 0.00 O ATOM 289 CG2 THR A 23 9.923 21.905 13.793 1.00 0.00 C ATOM 0 H THR A 23 8.995 19.124 16.675 1.00 0.00 H new ATOM 0 HA THR A 23 8.742 22.019 16.238 1.00 0.00 H new ATOM 0 HB THR A 23 9.822 19.857 14.385 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.894 20.760 15.003 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.780 21.755 13.136 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.004 21.845 13.210 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.993 22.887 14.261 1.00 0.00 H new ATOM 297 N LEU A 24 6.775 21.952 14.700 1.00 0.00 N ATOM 298 CA LEU A 24 5.529 21.921 13.942 1.00 0.00 C ATOM 299 C LEU A 24 5.749 21.321 12.557 1.00 0.00 C ATOM 300 O LEU A 24 6.829 21.446 11.979 1.00 0.00 O ATOM 301 CB LEU A 24 4.952 23.332 13.813 1.00 0.00 C ATOM 302 CG LEU A 24 4.017 23.780 14.936 1.00 0.00 C ATOM 303 CD1 LEU A 24 4.798 24.014 16.220 1.00 0.00 C ATOM 304 CD2 LEU A 24 3.262 25.038 14.532 1.00 0.00 C ATOM 0 H LEU A 24 7.092 22.888 14.951 1.00 0.00 H new ATOM 0 HA LEU A 24 4.820 21.293 14.482 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.781 24.038 13.754 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.411 23.397 12.869 1.00 0.00 H new ATOM 0 HG LEU A 24 3.291 22.987 15.116 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.116 24.332 17.008 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.292 23.089 16.519 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.547 24.788 16.054 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.601 25.342 15.344 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.973 25.838 14.324 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.671 24.836 13.639 1.00 0.00 H new ATOM 316 N SER A 25 4.717 20.669 12.029 1.00 0.00 N ATOM 317 CA SER A 25 4.798 20.048 10.713 1.00 0.00 C ATOM 318 C SER A 25 3.427 20.011 10.044 1.00 0.00 C ATOM 319 O SER A 25 2.431 20.447 10.621 1.00 0.00 O ATOM 320 CB SER A 25 5.360 18.629 10.828 1.00 0.00 C ATOM 321 OG SER A 25 6.612 18.630 11.492 1.00 0.00 O ATOM 0 H SER A 25 3.816 20.558 12.493 1.00 0.00 H new ATOM 0 HA SER A 25 5.468 20.648 10.097 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.657 17.999 11.372 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.472 18.197 9.834 1.00 0.00 H new ATOM 0 HG SER A 25 6.950 17.712 11.555 1.00 0.00 H new ATOM 327 N ASP A 26 3.385 19.487 8.824 1.00 0.00 N ATOM 328 CA ASP A 26 2.137 19.391 8.076 1.00 0.00 C ATOM 329 C ASP A 26 1.768 17.934 7.819 1.00 0.00 C ATOM 330 O ASP A 26 1.838 17.455 6.687 1.00 0.00 O ATOM 331 CB ASP A 26 2.255 20.142 6.748 1.00 0.00 C ATOM 332 CG ASP A 26 3.558 19.850 6.031 1.00 0.00 C ATOM 333 OD1 ASP A 26 3.720 18.715 5.534 1.00 0.00 O ATOM 334 OD2 ASP A 26 4.415 20.755 5.966 1.00 0.00 O ATOM 0 H ASP A 26 4.201 19.122 8.332 1.00 0.00 H new ATOM 0 HA ASP A 26 1.348 19.847 8.674 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.420 19.868 6.104 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.177 21.214 6.932 1.00 0.00 H new ATOM 339 N VAL A 27 1.376 17.232 8.877 1.00 0.00 N ATOM 340 CA VAL A 27 0.996 15.829 8.767 1.00 0.00 C ATOM 341 C VAL A 27 -0.090 15.473 9.775 1.00 0.00 C ATOM 342 O VAL A 27 -0.278 16.147 10.788 1.00 0.00 O ATOM 343 CB VAL A 27 2.206 14.901 8.982 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.940 14.667 7.671 1.00 0.00 C ATOM 345 CG2 VAL A 27 3.143 15.482 10.030 1.00 0.00 C ATOM 0 H VAL A 27 1.313 17.613 9.821 1.00 0.00 H new ATOM 0 HA VAL A 27 0.612 15.684 7.757 1.00 0.00 H new ATOM 0 HB VAL A 27 1.844 13.939 9.344 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.792 14.009 7.843 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.263 14.204 6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.292 15.620 7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.992 14.813 10.169 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.499 16.457 9.699 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.609 15.592 10.974 1.00 0.00 H new ATOM 355 N PRO A 28 -0.825 14.386 9.495 1.00 0.00 N ATOM 356 CA PRO A 28 -1.905 13.914 10.366 1.00 0.00 C ATOM 357 C PRO A 28 -1.382 13.342 11.680 1.00 0.00 C ATOM 358 O PRO A 28 -0.307 12.744 11.723 1.00 0.00 O ATOM 359 CB PRO A 28 -2.577 12.817 9.536 1.00 0.00 C ATOM 360 CG PRO A 28 -1.512 12.335 8.612 1.00 0.00 C ATOM 361 CD PRO A 28 -0.657 13.533 8.306 1.00 0.00 C ATOM 0 HA PRO A 28 -2.578 14.722 10.655 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.946 12.011 10.170 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.433 13.206 8.985 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.923 11.543 9.075 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.944 11.921 7.701 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.386 13.254 8.156 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.985 14.040 7.399 1.00 0.00 H new ATOM 369 N SER A 29 -2.149 13.529 12.749 1.00 0.00 N ATOM 370 CA SER A 29 -1.762 13.035 14.065 1.00 0.00 C ATOM 371 C SER A 29 -2.733 11.963 14.550 1.00 0.00 C ATOM 372 O SER A 29 -2.358 11.067 15.305 1.00 0.00 O ATOM 373 CB SER A 29 -1.710 14.186 15.071 1.00 0.00 C ATOM 374 OG SER A 29 -0.777 13.920 16.103 1.00 0.00 O ATOM 0 H SER A 29 -3.043 14.020 12.729 1.00 0.00 H new ATOM 0 HA SER A 29 -0.770 12.591 13.982 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.437 15.109 14.559 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.699 14.341 15.502 1.00 0.00 H new ATOM 0 HG SER A 29 -0.762 14.671 16.732 1.00 0.00 H new ATOM 380 N ALA A 30 -3.983 12.064 14.111 1.00 0.00 N ATOM 381 CA ALA A 30 -5.009 11.103 14.498 1.00 0.00 C ATOM 382 C ALA A 30 -4.958 9.860 13.616 1.00 0.00 C ATOM 383 O ALA A 30 -5.102 9.929 12.396 1.00 0.00 O ATOM 384 CB ALA A 30 -6.386 11.745 14.430 1.00 0.00 C ATOM 0 H ALA A 30 -4.310 12.802 13.487 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.814 10.795 15.525 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.142 11.016 14.721 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.424 12.598 15.108 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.580 12.082 13.412 1.00 0.00 H new ATOM 390 N PRO A 31 -4.747 8.695 14.246 1.00 0.00 N ATOM 391 CA PRO A 31 -4.672 7.414 13.537 1.00 0.00 C ATOM 392 C PRO A 31 -6.023 6.980 12.979 1.00 0.00 C ATOM 393 O PRO A 31 -7.072 7.515 13.341 1.00 0.00 O ATOM 394 CB PRO A 31 -4.202 6.437 14.618 1.00 0.00 C ATOM 395 CG PRO A 31 -4.645 7.050 15.901 1.00 0.00 C ATOM 396 CD PRO A 31 -4.566 8.538 15.699 1.00 0.00 C ATOM 0 HA PRO A 31 -4.010 7.465 12.672 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.643 5.450 14.478 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.120 6.310 14.593 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.661 6.743 16.149 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.006 6.734 16.726 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.341 9.061 16.259 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.608 8.938 16.030 1.00 0.00 H new ATOM 404 N PRO A 32 -6.001 5.988 12.077 1.00 0.00 N ATOM 405 CA PRO A 32 -7.217 5.460 11.451 1.00 0.00 C ATOM 406 C PRO A 32 -8.083 4.679 12.433 1.00 0.00 C ATOM 407 O PRO A 32 -7.651 4.369 13.543 1.00 0.00 O ATOM 408 CB PRO A 32 -6.679 4.533 10.358 1.00 0.00 C ATOM 409 CG PRO A 32 -5.328 4.126 10.837 1.00 0.00 C ATOM 410 CD PRO A 32 -4.787 5.304 11.599 1.00 0.00 C ATOM 0 HA PRO A 32 -7.861 6.256 11.076 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.327 3.668 10.219 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.621 5.045 9.398 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.389 3.244 11.474 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.678 3.870 10.000 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.151 4.990 12.426 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.185 5.952 10.962 1.00 0.00 H new ATOM 418 N GLN A 33 -9.306 4.365 12.018 1.00 0.00 N ATOM 419 CA GLN A 33 -10.232 3.621 12.863 1.00 0.00 C ATOM 420 C GLN A 33 -10.526 2.247 12.269 1.00 0.00 C ATOM 421 O GLN A 33 -10.080 1.928 11.168 1.00 0.00 O ATOM 422 CB GLN A 33 -11.535 4.402 13.040 1.00 0.00 C ATOM 423 CG GLN A 33 -11.451 5.494 14.094 1.00 0.00 C ATOM 424 CD GLN A 33 -12.798 6.122 14.393 1.00 0.00 C ATOM 425 OE1 GLN A 33 -13.445 5.788 15.386 1.00 0.00 O ATOM 426 NE2 GLN A 33 -13.228 7.037 13.533 1.00 0.00 N ATOM 0 H GLN A 33 -9.678 4.614 11.102 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.764 3.484 13.838 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.813 4.850 12.086 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.331 3.708 13.310 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.037 5.076 15.012 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.761 6.267 13.756 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.659 7.283 12.723 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.128 7.494 13.682 1.00 0.00 H new ATOM 435 N ASN A 34 -11.279 1.438 13.007 1.00 0.00 N ATOM 436 CA ASN A 34 -11.632 0.098 12.553 1.00 0.00 C ATOM 437 C ASN A 34 -10.389 -0.676 12.123 1.00 0.00 C ATOM 438 O ASN A 34 -10.418 -1.424 11.146 1.00 0.00 O ATOM 439 CB ASN A 34 -12.626 0.174 11.393 1.00 0.00 C ATOM 440 CG ASN A 34 -13.492 -1.066 11.290 1.00 0.00 C ATOM 441 OD1 ASN A 34 -14.173 -1.442 12.244 1.00 0.00 O ATOM 442 ND2 ASN A 34 -13.469 -1.709 10.128 1.00 0.00 N ATOM 0 H ASN A 34 -11.656 1.687 13.921 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.097 -0.429 13.386 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.263 1.049 11.521 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.080 0.311 10.459 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.031 -2.551 10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.889 -1.361 9.364 1.00 0.00 H new ATOM 449 N VAL A 35 -9.299 -0.490 12.860 1.00 0.00 N ATOM 450 CA VAL A 35 -8.046 -1.171 12.556 1.00 0.00 C ATOM 451 C VAL A 35 -7.982 -2.533 13.238 1.00 0.00 C ATOM 452 O VAL A 35 -7.472 -2.658 14.351 1.00 0.00 O ATOM 453 CB VAL A 35 -6.831 -0.332 12.993 1.00 0.00 C ATOM 454 CG1 VAL A 35 -5.535 -1.071 12.691 1.00 0.00 C ATOM 455 CG2 VAL A 35 -6.850 1.028 12.312 1.00 0.00 C ATOM 0 H VAL A 35 -9.258 0.126 13.672 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.013 -1.307 11.475 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.889 -0.174 14.070 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.687 -0.463 13.007 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.522 -2.018 13.230 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.466 -1.262 11.620 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.984 1.607 12.632 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.817 0.894 11.231 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.763 1.558 12.584 1.00 0.00 H new ATOM 465 N SER A 36 -8.502 -3.553 12.562 1.00 0.00 N ATOM 466 CA SER A 36 -8.506 -4.907 13.104 1.00 0.00 C ATOM 467 C SER A 36 -8.126 -5.923 12.031 1.00 0.00 C ATOM 468 O SER A 36 -8.169 -5.627 10.836 1.00 0.00 O ATOM 469 CB SER A 36 -9.884 -5.244 13.677 1.00 0.00 C ATOM 470 OG SER A 36 -10.056 -4.672 14.963 1.00 0.00 O ATOM 0 H SER A 36 -8.926 -3.467 11.638 1.00 0.00 H new ATOM 0 HA SER A 36 -7.766 -4.955 13.903 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.660 -4.877 13.006 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.001 -6.326 13.738 1.00 0.00 H new ATOM 0 HG SER A 36 -10.945 -4.901 15.306 1.00 0.00 H new ATOM 476 N LEU A 37 -7.755 -7.122 12.466 1.00 0.00 N ATOM 477 CA LEU A 37 -7.367 -8.183 11.545 1.00 0.00 C ATOM 478 C LEU A 37 -8.361 -9.339 11.596 1.00 0.00 C ATOM 479 O LEU A 37 -8.783 -9.759 12.673 1.00 0.00 O ATOM 480 CB LEU A 37 -5.962 -8.688 11.879 1.00 0.00 C ATOM 481 CG LEU A 37 -4.831 -7.670 11.735 1.00 0.00 C ATOM 482 CD1 LEU A 37 -3.567 -8.177 12.412 1.00 0.00 C ATOM 483 CD2 LEU A 37 -4.568 -7.370 10.266 1.00 0.00 C ATOM 0 H LEU A 37 -7.715 -7.383 13.451 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.368 -7.772 10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.964 -9.056 12.905 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.741 -9.540 11.236 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.135 -6.745 12.226 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.773 -7.439 12.299 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.762 -8.341 13.472 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.259 -9.115 11.951 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.760 -6.643 10.182 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.285 -8.289 9.752 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.471 -6.963 9.811 1.00 0.00 H new ATOM 495 N GLU A 38 -8.728 -9.850 10.425 1.00 0.00 N ATOM 496 CA GLU A 38 -9.671 -10.959 10.338 1.00 0.00 C ATOM 497 C GLU A 38 -9.044 -12.151 9.620 1.00 0.00 C ATOM 498 O GLU A 38 -8.257 -11.986 8.689 1.00 0.00 O ATOM 499 CB GLU A 38 -10.941 -10.521 9.607 1.00 0.00 C ATOM 500 CG GLU A 38 -11.989 -9.909 10.522 1.00 0.00 C ATOM 501 CD GLU A 38 -11.792 -8.418 10.719 1.00 0.00 C ATOM 502 OE1 GLU A 38 -11.262 -7.763 9.797 1.00 0.00 O ATOM 503 OE2 GLU A 38 -12.168 -7.906 11.794 1.00 0.00 O ATOM 0 H GLU A 38 -8.387 -9.514 9.524 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.930 -11.262 11.352 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.676 -9.797 8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.373 -11.383 9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.980 -10.089 10.105 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.956 -10.407 11.491 1.00 0.00 H new ATOM 510 N VAL A 39 -9.399 -13.354 10.062 1.00 0.00 N ATOM 511 CA VAL A 39 -8.873 -14.574 9.463 1.00 0.00 C ATOM 512 C VAL A 39 -9.907 -15.231 8.555 1.00 0.00 C ATOM 513 O VAL A 39 -11.039 -15.484 8.967 1.00 0.00 O ATOM 514 CB VAL A 39 -8.436 -15.585 10.540 1.00 0.00 C ATOM 515 CG1 VAL A 39 -7.905 -16.856 9.896 1.00 0.00 C ATOM 516 CG2 VAL A 39 -7.393 -14.967 11.459 1.00 0.00 C ATOM 0 H VAL A 39 -10.049 -13.509 10.833 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.004 -14.286 8.871 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.307 -15.848 11.141 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.601 -17.558 10.673 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.686 -17.307 9.284 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.047 -16.615 9.269 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.096 -15.695 12.214 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.521 -14.674 10.874 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.814 -14.089 11.948 1.00 0.00 H new ATOM 526 N VAL A 40 -9.509 -15.505 7.317 1.00 0.00 N ATOM 527 CA VAL A 40 -10.401 -16.134 6.349 1.00 0.00 C ATOM 528 C VAL A 40 -9.904 -17.524 5.967 1.00 0.00 C ATOM 529 O VAL A 40 -10.696 -18.443 5.766 1.00 0.00 O ATOM 530 CB VAL A 40 -10.537 -15.281 5.074 1.00 0.00 C ATOM 531 CG1 VAL A 40 -11.726 -15.744 4.246 1.00 0.00 C ATOM 532 CG2 VAL A 40 -10.667 -13.808 5.431 1.00 0.00 C ATOM 0 H VAL A 40 -8.575 -15.302 6.960 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.377 -16.218 6.826 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.636 -15.408 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.806 -15.130 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.587 -16.787 3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.639 -15.648 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.762 -13.219 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.551 -13.661 6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.781 -13.487 5.979 1.00 0.00 H new ATOM 542 N ASN A 41 -8.587 -17.669 5.869 1.00 0.00 N ATOM 543 CA ASN A 41 -7.984 -18.948 5.511 1.00 0.00 C ATOM 544 C ASN A 41 -6.672 -19.159 6.260 1.00 0.00 C ATOM 545 O ASN A 41 -6.259 -18.319 7.059 1.00 0.00 O ATOM 546 CB ASN A 41 -7.739 -19.015 4.002 1.00 0.00 C ATOM 547 CG ASN A 41 -8.937 -18.543 3.201 1.00 0.00 C ATOM 548 OD1 ASN A 41 -9.436 -17.436 3.403 1.00 0.00 O ATOM 549 ND2 ASN A 41 -9.404 -19.384 2.285 1.00 0.00 N ATOM 0 H ASN A 41 -7.917 -16.917 6.032 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.676 -19.740 5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.873 -18.403 3.750 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.498 -20.040 3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.208 -19.122 1.715 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.959 -20.292 2.152 1.00 0.00 H new ATOM 556 N SER A 42 -6.020 -20.287 5.995 1.00 0.00 N ATOM 557 CA SER A 42 -4.757 -20.611 6.646 1.00 0.00 C ATOM 558 C SER A 42 -3.611 -19.807 6.040 1.00 0.00 C ATOM 559 O SER A 42 -2.560 -19.638 6.659 1.00 0.00 O ATOM 560 CB SER A 42 -4.464 -22.108 6.524 1.00 0.00 C ATOM 561 OG SER A 42 -5.613 -22.879 6.832 1.00 0.00 O ATOM 0 H SER A 42 -6.346 -20.992 5.334 1.00 0.00 H new ATOM 0 HA SER A 42 -4.844 -20.350 7.701 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.130 -22.335 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.650 -22.378 7.196 1.00 0.00 H new ATOM 0 HG SER A 42 -5.591 -23.716 6.323 1.00 0.00 H new ATOM 567 N ARG A 43 -3.823 -19.312 4.825 1.00 0.00 N ATOM 568 CA ARG A 43 -2.808 -18.526 4.132 1.00 0.00 C ATOM 569 C ARG A 43 -3.405 -17.235 3.578 1.00 0.00 C ATOM 570 O ARG A 43 -2.724 -16.466 2.900 1.00 0.00 O ATOM 571 CB ARG A 43 -2.187 -19.342 2.997 1.00 0.00 C ATOM 572 CG ARG A 43 -3.211 -19.950 2.053 1.00 0.00 C ATOM 573 CD ARG A 43 -2.649 -21.163 1.328 1.00 0.00 C ATOM 574 NE ARG A 43 -3.256 -21.344 0.013 1.00 0.00 N ATOM 575 CZ ARG A 43 -3.009 -20.553 -1.026 1.00 0.00 C ATOM 576 NH1 ARG A 43 -2.172 -19.533 -0.902 1.00 0.00 N ATOM 577 NH2 ARG A 43 -3.601 -20.783 -2.191 1.00 0.00 N ATOM 0 H ARG A 43 -4.688 -19.441 4.300 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.031 -18.267 4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.515 -18.702 2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.580 -20.140 3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.099 -20.240 2.615 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.525 -19.202 1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.570 -21.051 1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.817 -22.056 1.931 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.905 -22.120 -0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.716 -19.354 -0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.984 -18.927 -1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.246 -21.567 -2.289 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.411 -20.176 -2.988 1.00 0.00 H new ATOM 591 N SER A 44 -4.681 -17.006 3.871 1.00 0.00 N ATOM 592 CA SER A 44 -5.371 -15.811 3.399 1.00 0.00 C ATOM 593 C SER A 44 -5.880 -14.978 4.571 1.00 0.00 C ATOM 594 O SER A 44 -6.573 -15.486 5.453 1.00 0.00 O ATOM 595 CB SER A 44 -6.538 -16.197 2.488 1.00 0.00 C ATOM 596 OG SER A 44 -6.263 -17.398 1.788 1.00 0.00 O ATOM 0 H SER A 44 -5.258 -17.632 4.433 1.00 0.00 H new ATOM 0 HA SER A 44 -4.659 -15.211 2.832 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.443 -16.318 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.729 -15.394 1.777 1.00 0.00 H new ATOM 0 HG SER A 44 -7.025 -17.624 1.214 1.00 0.00 H new ATOM 602 N ILE A 45 -5.530 -13.696 4.574 1.00 0.00 N ATOM 603 CA ILE A 45 -5.952 -12.792 5.637 1.00 0.00 C ATOM 604 C ILE A 45 -6.375 -11.440 5.073 1.00 0.00 C ATOM 605 O ILE A 45 -5.666 -10.844 4.262 1.00 0.00 O ATOM 606 CB ILE A 45 -4.831 -12.577 6.670 1.00 0.00 C ATOM 607 CG1 ILE A 45 -4.665 -13.823 7.543 1.00 0.00 C ATOM 608 CG2 ILE A 45 -5.130 -11.357 7.530 1.00 0.00 C ATOM 609 CD1 ILE A 45 -3.406 -13.810 8.381 1.00 0.00 C ATOM 0 H ILE A 45 -4.956 -13.260 3.853 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.804 -13.260 6.130 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.896 -12.402 6.138 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.529 -13.913 8.201 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.657 -14.706 6.904 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.329 -11.218 8.256 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.202 -10.474 6.896 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.073 -11.505 8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.354 -14.723 8.974 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.535 -13.751 7.728 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.420 -12.946 9.046 1.00 0.00 H new ATOM 621 N LYS A 46 -7.535 -10.960 5.508 1.00 0.00 N ATOM 622 CA LYS A 46 -8.053 -9.676 5.050 1.00 0.00 C ATOM 623 C LYS A 46 -7.749 -8.575 6.061 1.00 0.00 C ATOM 624 O LYS A 46 -7.701 -8.821 7.266 1.00 0.00 O ATOM 625 CB LYS A 46 -9.563 -9.766 4.817 1.00 0.00 C ATOM 626 CG LYS A 46 -10.161 -8.507 4.215 1.00 0.00 C ATOM 627 CD LYS A 46 -11.372 -8.821 3.353 1.00 0.00 C ATOM 628 CE LYS A 46 -12.324 -7.637 3.275 1.00 0.00 C ATOM 629 NZ LYS A 46 -13.163 -7.519 4.499 1.00 0.00 N ATOM 0 H LYS A 46 -8.135 -11.441 6.178 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.560 -9.428 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.771 -10.608 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.057 -9.975 5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.449 -7.823 5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.408 -7.997 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.045 -9.093 2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.897 -9.685 3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.752 -6.719 3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.968 -7.746 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.798 -6.701 4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.728 -8.384 4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.550 -7.390 5.329 1.00 0.00 H new ATOM 643 N VAL A 47 -7.545 -7.360 5.562 1.00 0.00 N ATOM 644 CA VAL A 47 -7.248 -6.220 6.421 1.00 0.00 C ATOM 645 C VAL A 47 -8.061 -4.997 6.013 1.00 0.00 C ATOM 646 O VAL A 47 -8.046 -4.589 4.852 1.00 0.00 O ATOM 647 CB VAL A 47 -5.750 -5.864 6.384 1.00 0.00 C ATOM 648 CG1 VAL A 47 -5.470 -4.642 7.245 1.00 0.00 C ATOM 649 CG2 VAL A 47 -4.909 -7.048 6.835 1.00 0.00 C ATOM 0 H VAL A 47 -7.580 -7.140 4.567 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.519 -6.510 7.436 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.477 -5.625 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.407 -4.406 7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.044 -3.794 6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.758 -4.849 8.276 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.853 -6.778 6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.182 -7.321 7.854 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.088 -7.895 6.172 1.00 0.00 H new ATOM 659 N SER A 48 -8.770 -4.416 6.975 1.00 0.00 N ATOM 660 CA SER A 48 -9.593 -3.240 6.715 1.00 0.00 C ATOM 661 C SER A 48 -9.157 -2.068 7.589 1.00 0.00 C ATOM 662 O SER A 48 -8.462 -2.250 8.589 1.00 0.00 O ATOM 663 CB SER A 48 -11.068 -3.558 6.967 1.00 0.00 C ATOM 664 OG SER A 48 -11.274 -3.998 8.298 1.00 0.00 O ATOM 0 H SER A 48 -8.791 -4.740 7.942 1.00 0.00 H new ATOM 0 HA SER A 48 -9.463 -2.959 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.672 -2.671 6.776 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.402 -4.327 6.270 1.00 0.00 H new ATOM 0 HG SER A 48 -12.225 -4.193 8.435 1.00 0.00 H new ATOM 670 N TRP A 49 -9.569 -0.866 7.203 1.00 0.00 N ATOM 671 CA TRP A 49 -9.222 0.337 7.951 1.00 0.00 C ATOM 672 C TRP A 49 -10.163 1.485 7.602 1.00 0.00 C ATOM 673 O TRP A 49 -10.786 1.489 6.540 1.00 0.00 O ATOM 674 CB TRP A 49 -7.775 0.741 7.663 1.00 0.00 C ATOM 675 CG TRP A 49 -7.501 0.969 6.207 1.00 0.00 C ATOM 676 CD1 TRP A 49 -7.696 2.125 5.507 1.00 0.00 C ATOM 677 CD2 TRP A 49 -6.983 0.015 5.273 1.00 0.00 C ATOM 678 NE1 TRP A 49 -7.331 1.947 4.194 1.00 0.00 N ATOM 679 CE2 TRP A 49 -6.890 0.662 4.025 1.00 0.00 C ATOM 680 CE3 TRP A 49 -6.588 -1.322 5.370 1.00 0.00 C ATOM 681 CZ2 TRP A 49 -6.419 0.015 2.886 1.00 0.00 C ATOM 682 CZ3 TRP A 49 -6.121 -1.962 4.238 1.00 0.00 C ATOM 683 CH2 TRP A 49 -6.039 -1.293 3.009 1.00 0.00 C ATOM 0 H TRP A 49 -10.143 -0.698 6.377 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.326 0.117 9.014 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.542 1.651 8.216 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.107 -0.037 8.034 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.081 3.044 5.924 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.381 2.657 3.464 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.647 -1.846 6.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.356 0.528 1.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.814 -2.995 4.301 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.669 -1.821 2.142 1.00 0.00 H new ATOM 694 N LEU A 50 -10.261 2.458 8.502 1.00 0.00 N ATOM 695 CA LEU A 50 -11.126 3.613 8.289 1.00 0.00 C ATOM 696 C LEU A 50 -10.381 4.912 8.576 1.00 0.00 C ATOM 697 O LEU A 50 -9.410 4.945 9.333 1.00 0.00 O ATOM 698 CB LEU A 50 -12.367 3.516 9.178 1.00 0.00 C ATOM 699 CG LEU A 50 -13.428 2.504 8.743 1.00 0.00 C ATOM 700 CD1 LEU A 50 -14.664 2.615 9.621 1.00 0.00 C ATOM 701 CD2 LEU A 50 -13.791 2.708 7.279 1.00 0.00 C ATOM 0 H LEU A 50 -9.752 2.470 9.386 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.435 3.617 7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.046 3.264 10.189 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.832 4.501 9.227 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.015 1.502 8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -15.408 1.887 9.296 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.392 2.418 10.658 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.079 3.619 9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.547 1.979 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.184 3.715 7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.902 2.576 6.662 1.00 0.00 H new ATOM 713 N PRO A 51 -10.844 6.009 7.959 1.00 0.00 N ATOM 714 CA PRO A 51 -10.238 7.332 8.136 1.00 0.00 C ATOM 715 C PRO A 51 -10.475 7.897 9.532 1.00 0.00 C ATOM 716 O PRO A 51 -11.424 7.529 10.224 1.00 0.00 O ATOM 717 CB PRO A 51 -10.946 8.190 7.084 1.00 0.00 C ATOM 718 CG PRO A 51 -12.255 7.513 6.862 1.00 0.00 C ATOM 719 CD PRO A 51 -11.997 6.043 7.043 1.00 0.00 C ATOM 0 HA PRO A 51 -9.154 7.302 8.023 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.084 9.213 7.435 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.367 8.244 6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.003 7.868 7.571 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.638 7.722 5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.862 5.532 7.467 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.771 5.555 6.095 1.00 0.00 H new ATOM 727 N PRO A 52 -9.593 8.814 9.958 1.00 0.00 N ATOM 728 CA PRO A 52 -9.687 9.450 11.275 1.00 0.00 C ATOM 729 C PRO A 52 -10.874 10.402 11.376 1.00 0.00 C ATOM 730 O PRO A 52 -11.467 10.801 10.374 1.00 0.00 O ATOM 731 CB PRO A 52 -8.370 10.223 11.390 1.00 0.00 C ATOM 732 CG PRO A 52 -7.960 10.483 9.982 1.00 0.00 C ATOM 733 CD PRO A 52 -8.438 9.300 9.186 1.00 0.00 C ATOM 0 HA PRO A 52 -9.840 8.720 12.070 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.504 11.153 11.942 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.616 9.643 11.921 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.403 11.407 9.611 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.878 10.594 9.905 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.723 9.586 8.173 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.665 8.537 9.096 1.00 0.00 H new ATOM 741 N PRO A 53 -11.229 10.776 12.614 1.00 0.00 N ATOM 742 CA PRO A 53 -12.348 11.687 12.875 1.00 0.00 C ATOM 743 C PRO A 53 -12.052 13.113 12.424 1.00 0.00 C ATOM 744 O PRO A 53 -10.902 13.552 12.436 1.00 0.00 O ATOM 745 CB PRO A 53 -12.504 11.629 14.397 1.00 0.00 C ATOM 746 CG PRO A 53 -11.157 11.242 14.902 1.00 0.00 C ATOM 747 CD PRO A 53 -10.566 10.339 13.855 1.00 0.00 C ATOM 0 HA PRO A 53 -13.246 11.397 12.329 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.816 12.593 14.800 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.261 10.901 14.690 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.531 12.121 15.058 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.232 10.730 15.861 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.483 10.450 13.793 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.767 9.289 14.070 1.00 0.00 H new ATOM 755 N SER A 54 -13.097 13.831 12.026 1.00 0.00 N ATOM 756 CA SER A 54 -12.948 15.207 11.567 1.00 0.00 C ATOM 757 C SER A 54 -12.263 16.063 12.628 1.00 0.00 C ATOM 758 O SER A 54 -12.100 15.641 13.772 1.00 0.00 O ATOM 759 CB SER A 54 -14.314 15.802 11.221 1.00 0.00 C ATOM 760 OG SER A 54 -14.176 17.066 10.595 1.00 0.00 O ATOM 0 H SER A 54 -14.056 13.483 12.012 1.00 0.00 H new ATOM 0 HA SER A 54 -12.325 15.200 10.673 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.853 15.123 10.561 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.910 15.905 12.128 1.00 0.00 H new ATOM 0 HG SER A 54 -15.063 17.424 10.382 1.00 0.00 H new ATOM 766 N GLY A 55 -11.861 17.269 12.238 1.00 0.00 N ATOM 767 CA GLY A 55 -11.197 18.166 13.166 1.00 0.00 C ATOM 768 C GLY A 55 -9.720 17.858 13.314 1.00 0.00 C ATOM 769 O GLY A 55 -8.883 18.761 13.277 1.00 0.00 O ATOM 0 H GLY A 55 -11.983 17.641 11.296 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.318 19.193 12.823 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.679 18.097 14.141 1.00 0.00 H new ATOM 773 N THR A 56 -9.397 16.580 13.482 1.00 0.00 N ATOM 774 CA THR A 56 -8.012 16.155 13.639 1.00 0.00 C ATOM 775 C THR A 56 -7.349 15.934 12.284 1.00 0.00 C ATOM 776 O THR A 56 -6.130 16.045 12.155 1.00 0.00 O ATOM 777 CB THR A 56 -7.911 14.860 14.465 1.00 0.00 C ATOM 778 OG1 THR A 56 -8.350 13.744 13.682 1.00 0.00 O ATOM 779 CG2 THR A 56 -8.748 14.959 15.731 1.00 0.00 C ATOM 0 H THR A 56 -10.077 15.820 13.513 1.00 0.00 H new ATOM 0 HA THR A 56 -7.494 16.955 14.168 1.00 0.00 H new ATOM 0 HB THR A 56 -6.868 14.716 14.749 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.261 13.908 13.361 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.661 14.032 16.298 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.392 15.791 16.338 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.792 15.125 15.465 1.00 0.00 H new ATOM 787 N GLN A 57 -8.159 15.621 11.278 1.00 0.00 N ATOM 788 CA GLN A 57 -7.649 15.384 9.933 1.00 0.00 C ATOM 789 C GLN A 57 -6.838 16.578 9.440 1.00 0.00 C ATOM 790 O GLN A 57 -7.326 17.707 9.422 1.00 0.00 O ATOM 791 CB GLN A 57 -8.803 15.103 8.969 1.00 0.00 C ATOM 792 CG GLN A 57 -9.188 13.635 8.892 1.00 0.00 C ATOM 793 CD GLN A 57 -10.363 13.387 7.966 1.00 0.00 C ATOM 794 OE1 GLN A 57 -10.863 14.308 7.319 1.00 0.00 O ATOM 795 NE2 GLN A 57 -10.810 12.139 7.898 1.00 0.00 N ATOM 0 H GLN A 57 -9.170 15.526 11.369 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.994 14.513 9.968 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.673 15.682 9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.526 15.450 7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.331 13.056 8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.435 13.275 9.891 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.365 11.407 8.452 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.598 11.912 7.292 1.00 0.00 H new ATOM 804 N ASN A 58 -5.596 16.320 9.041 1.00 0.00 N ATOM 805 CA ASN A 58 -4.717 17.374 8.548 1.00 0.00 C ATOM 806 C ASN A 58 -4.415 17.181 7.065 1.00 0.00 C ATOM 807 O ASN A 58 -3.256 17.074 6.666 1.00 0.00 O ATOM 808 CB ASN A 58 -3.413 17.394 9.348 1.00 0.00 C ATOM 809 CG ASN A 58 -2.675 18.713 9.218 1.00 0.00 C ATOM 810 OD1 ASN A 58 -2.705 19.545 10.124 1.00 0.00 O ATOM 811 ND2 ASN A 58 -2.009 18.908 8.086 1.00 0.00 N ATOM 0 H ASN A 58 -5.176 15.390 9.050 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.228 18.329 8.675 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.632 17.205 10.399 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.768 16.585 9.006 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.494 19.776 7.940 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.012 18.189 7.362 1.00 0.00 H new ATOM 818 N GLY A 59 -5.466 17.139 6.253 1.00 0.00 N ATOM 819 CA GLY A 59 -5.292 16.960 4.823 1.00 0.00 C ATOM 820 C GLY A 59 -6.320 16.018 4.228 1.00 0.00 C ATOM 821 O GLY A 59 -7.143 15.450 4.946 1.00 0.00 O ATOM 0 H GLY A 59 -6.435 17.226 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.361 17.928 4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.292 16.573 4.627 1.00 0.00 H new ATOM 825 N PHE A 60 -6.275 15.852 2.910 1.00 0.00 N ATOM 826 CA PHE A 60 -7.211 14.975 2.217 1.00 0.00 C ATOM 827 C PHE A 60 -6.631 13.572 2.064 1.00 0.00 C ATOM 828 O PHE A 60 -5.777 13.333 1.209 1.00 0.00 O ATOM 829 CB PHE A 60 -7.559 15.548 0.842 1.00 0.00 C ATOM 830 CG PHE A 60 -8.910 15.126 0.340 1.00 0.00 C ATOM 831 CD1 PHE A 60 -9.079 13.901 -0.286 1.00 0.00 C ATOM 832 CD2 PHE A 60 -10.011 15.952 0.494 1.00 0.00 C ATOM 833 CE1 PHE A 60 -10.321 13.510 -0.749 1.00 0.00 C ATOM 834 CE2 PHE A 60 -11.255 15.566 0.033 1.00 0.00 C ATOM 835 CZ PHE A 60 -11.410 14.343 -0.589 1.00 0.00 C ATOM 0 H PHE A 60 -5.600 16.314 2.301 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.119 14.910 2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.522 16.636 0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.800 15.236 0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.231 13.245 -0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.896 16.909 0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.440 12.553 -1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -12.105 16.220 0.159 1.00 0.00 H new ATOM 0 HZ PHE A 60 -12.381 14.039 -0.950 1.00 0.00 H new ATOM 845 N ILE A 61 -7.099 12.650 2.897 1.00 0.00 N ATOM 846 CA ILE A 61 -6.628 11.271 2.854 1.00 0.00 C ATOM 847 C ILE A 61 -6.770 10.685 1.453 1.00 0.00 C ATOM 848 O ILE A 61 -7.876 10.381 1.004 1.00 0.00 O ATOM 849 CB ILE A 61 -7.394 10.382 3.851 1.00 0.00 C ATOM 850 CG1 ILE A 61 -7.115 10.830 5.287 1.00 0.00 C ATOM 851 CG2 ILE A 61 -7.011 8.922 3.662 1.00 0.00 C ATOM 852 CD1 ILE A 61 -8.039 11.926 5.769 1.00 0.00 C ATOM 0 H ILE A 61 -7.805 12.832 3.611 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.574 11.289 3.133 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.462 10.485 3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.207 9.971 5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.084 11.178 5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.561 8.307 4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.257 8.610 2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.941 8.802 3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.783 12.193 6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.931 12.801 5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.070 11.575 5.732 1.00 0.00 H new ATOM 864 N THR A 62 -5.643 10.526 0.767 1.00 0.00 N ATOM 865 CA THR A 62 -5.641 9.976 -0.583 1.00 0.00 C ATOM 866 C THR A 62 -5.561 8.454 -0.555 1.00 0.00 C ATOM 867 O THR A 62 -6.348 7.769 -1.206 1.00 0.00 O ATOM 868 CB THR A 62 -4.465 10.525 -1.412 1.00 0.00 C ATOM 869 OG1 THR A 62 -3.222 10.124 -0.826 1.00 0.00 O ATOM 870 CG2 THR A 62 -4.525 12.043 -1.497 1.00 0.00 C ATOM 0 H THR A 62 -4.719 10.770 1.124 1.00 0.00 H new ATOM 0 HA THR A 62 -6.578 10.280 -1.050 1.00 0.00 H new ATOM 0 HB THR A 62 -4.539 10.117 -2.420 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.480 10.476 -1.360 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.684 12.408 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.459 12.344 -1.971 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.474 12.466 -0.494 1.00 0.00 H new ATOM 878 N GLY A 63 -4.603 7.929 0.204 1.00 0.00 N ATOM 879 CA GLY A 63 -4.438 6.491 0.303 1.00 0.00 C ATOM 880 C GLY A 63 -4.172 6.034 1.723 1.00 0.00 C ATOM 881 O GLY A 63 -4.571 6.696 2.681 1.00 0.00 O ATOM 0 H GLY A 63 -3.938 8.475 0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.336 5.999 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.613 6.178 -0.337 1.00 0.00 H new ATOM 885 N TYR A 64 -3.496 4.898 1.860 1.00 0.00 N ATOM 886 CA TYR A 64 -3.180 4.351 3.174 1.00 0.00 C ATOM 887 C TYR A 64 -1.909 3.509 3.122 1.00 0.00 C ATOM 888 O TYR A 64 -1.616 2.865 2.114 1.00 0.00 O ATOM 889 CB TYR A 64 -4.345 3.504 3.690 1.00 0.00 C ATOM 890 CG TYR A 64 -5.596 4.304 3.975 1.00 0.00 C ATOM 891 CD1 TYR A 64 -6.470 4.652 2.953 1.00 0.00 C ATOM 892 CD2 TYR A 64 -5.904 4.712 5.267 1.00 0.00 C ATOM 893 CE1 TYR A 64 -7.613 5.383 3.209 1.00 0.00 C ATOM 894 CE2 TYR A 64 -7.046 5.442 5.533 1.00 0.00 C ATOM 895 CZ TYR A 64 -7.897 5.776 4.500 1.00 0.00 C ATOM 896 OH TYR A 64 -9.036 6.504 4.759 1.00 0.00 O ATOM 0 H TYR A 64 -3.157 4.339 1.077 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.015 5.185 3.857 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.576 2.733 2.955 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.036 2.992 4.601 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.252 4.345 1.941 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.239 4.454 6.078 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.281 5.646 2.402 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.271 5.749 6.544 1.00 0.00 H new ATOM 0 HH TYR A 64 -9.353 6.305 5.665 1.00 0.00 H new ATOM 906 N LYS A 65 -1.156 3.519 4.217 1.00 0.00 N ATOM 907 CA LYS A 65 0.084 2.757 4.300 1.00 0.00 C ATOM 908 C LYS A 65 -0.077 1.555 5.225 1.00 0.00 C ATOM 909 O LYS A 65 -0.211 1.708 6.439 1.00 0.00 O ATOM 910 CB LYS A 65 1.223 3.648 4.799 1.00 0.00 C ATOM 911 CG LYS A 65 2.604 3.068 4.550 1.00 0.00 C ATOM 912 CD LYS A 65 3.691 4.113 4.740 1.00 0.00 C ATOM 913 CE LYS A 65 3.947 4.890 3.458 1.00 0.00 C ATOM 914 NZ LYS A 65 5.023 5.905 3.630 1.00 0.00 N ATOM 0 H LYS A 65 -1.383 4.047 5.060 1.00 0.00 H new ATOM 0 HA LYS A 65 0.325 2.395 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.153 4.620 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.097 3.819 5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.777 2.234 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.655 2.669 3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.400 4.802 5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.612 3.627 5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.224 4.198 2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.028 5.385 3.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.494 6.070 2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.609 6.796 3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.719 5.559 4.321 1.00 0.00 H new ATOM 928 N ILE A 66 -0.062 0.360 4.643 1.00 0.00 N ATOM 929 CA ILE A 66 -0.204 -0.867 5.417 1.00 0.00 C ATOM 930 C ILE A 66 1.153 -1.509 5.684 1.00 0.00 C ATOM 931 O ILE A 66 1.764 -2.089 4.786 1.00 0.00 O ATOM 932 CB ILE A 66 -1.108 -1.885 4.696 1.00 0.00 C ATOM 933 CG1 ILE A 66 -2.444 -1.239 4.324 1.00 0.00 C ATOM 934 CG2 ILE A 66 -1.332 -3.109 5.573 1.00 0.00 C ATOM 935 CD1 ILE A 66 -3.089 -1.849 3.099 1.00 0.00 C ATOM 0 H ILE A 66 0.047 0.216 3.639 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.665 -0.591 6.365 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.612 -2.204 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.129 -1.328 5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.288 -0.174 4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.973 -3.819 5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.374 -3.579 5.793 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.811 -2.807 6.504 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.032 -1.342 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.423 -1.737 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.277 -2.908 3.276 1.00 0.00 H new ATOM 947 N ARG A 67 1.618 -1.403 6.924 1.00 0.00 N ATOM 948 CA ARG A 67 2.903 -1.974 7.310 1.00 0.00 C ATOM 949 C ARG A 67 2.714 -3.327 7.991 1.00 0.00 C ATOM 950 O ARG A 67 1.969 -3.445 8.964 1.00 0.00 O ATOM 951 CB ARG A 67 3.649 -1.020 8.245 1.00 0.00 C ATOM 952 CG ARG A 67 3.967 0.326 7.613 1.00 0.00 C ATOM 953 CD ARG A 67 5.231 0.932 8.203 1.00 0.00 C ATOM 954 NE ARG A 67 5.433 2.310 7.764 1.00 0.00 N ATOM 955 CZ ARG A 67 6.160 3.196 8.435 1.00 0.00 C ATOM 956 NH1 ARG A 67 6.750 2.851 9.570 1.00 0.00 N ATOM 957 NH2 ARG A 67 6.297 4.432 7.971 1.00 0.00 N ATOM 0 H ARG A 67 1.124 -0.927 7.679 1.00 0.00 H new ATOM 0 HA ARG A 67 3.493 -2.121 6.406 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.049 -0.859 9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.579 -1.491 8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.088 0.205 6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.130 1.008 7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.173 0.903 9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.092 0.329 7.913 1.00 0.00 H new ATOM 0 HE ARG A 67 4.992 2.608 6.894 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.647 1.903 9.931 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.308 3.534 10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.844 4.702 7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.856 5.112 8.487 1.00 0.00 H new ATOM 971 N HIS A 68 3.394 -4.344 7.472 1.00 0.00 N ATOM 972 CA HIS A 68 3.302 -5.689 8.030 1.00 0.00 C ATOM 973 C HIS A 68 4.681 -6.336 8.119 1.00 0.00 C ATOM 974 O HIS A 68 5.662 -5.803 7.600 1.00 0.00 O ATOM 975 CB HIS A 68 2.373 -6.555 7.179 1.00 0.00 C ATOM 976 CG HIS A 68 3.009 -7.055 5.918 1.00 0.00 C ATOM 977 ND1 HIS A 68 3.474 -6.217 4.926 1.00 0.00 N ATOM 978 CD2 HIS A 68 3.258 -8.315 5.492 1.00 0.00 C ATOM 979 CE1 HIS A 68 3.980 -6.941 3.943 1.00 0.00 C ATOM 980 NE2 HIS A 68 3.861 -8.217 4.262 1.00 0.00 N ATOM 0 H HIS A 68 4.014 -4.263 6.666 1.00 0.00 H new ATOM 0 HA HIS A 68 2.891 -5.611 9.037 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.041 -7.407 7.771 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.484 -5.978 6.924 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.026 -9.228 6.021 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.416 -6.555 3.034 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.167 -9.002 3.688 1.00 0.00 H new ATOM 989 N ARG A 69 4.747 -7.487 8.781 1.00 0.00 N ATOM 990 CA ARG A 69 6.006 -8.205 8.939 1.00 0.00 C ATOM 991 C ARG A 69 5.770 -9.590 9.536 1.00 0.00 C ATOM 992 O ARG A 69 4.705 -9.867 10.088 1.00 0.00 O ATOM 993 CB ARG A 69 6.963 -7.410 9.830 1.00 0.00 C ATOM 994 CG ARG A 69 6.533 -7.354 11.287 1.00 0.00 C ATOM 995 CD ARG A 69 7.724 -7.150 12.211 1.00 0.00 C ATOM 996 NE ARG A 69 7.495 -7.725 13.534 1.00 0.00 N ATOM 997 CZ ARG A 69 6.648 -7.214 14.420 1.00 0.00 C ATOM 998 NH1 ARG A 69 5.953 -6.123 14.127 1.00 0.00 N ATOM 999 NH2 ARG A 69 6.494 -7.794 15.604 1.00 0.00 N ATOM 0 H ARG A 69 3.944 -7.942 9.216 1.00 0.00 H new ATOM 0 HA ARG A 69 6.454 -8.324 7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.956 -7.855 9.770 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.045 -6.394 9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.820 -6.542 11.426 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.019 -8.278 11.552 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.610 -7.604 11.767 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.928 -6.084 12.309 1.00 0.00 H new ATOM 0 HE ARG A 69 8.014 -8.565 13.791 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.068 -5.674 13.219 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.303 -5.733 14.810 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.027 -8.633 15.834 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.843 -7.401 16.284 1.00 0.00 H new ATOM 1013 N LYS A 70 6.771 -10.456 9.420 1.00 0.00 N ATOM 1014 CA LYS A 70 6.675 -11.812 9.948 1.00 0.00 C ATOM 1015 C LYS A 70 7.708 -12.043 11.046 1.00 0.00 C ATOM 1016 O LYS A 70 8.737 -11.367 11.098 1.00 0.00 O ATOM 1017 CB LYS A 70 6.871 -12.833 8.825 1.00 0.00 C ATOM 1018 CG LYS A 70 6.538 -14.257 9.234 1.00 0.00 C ATOM 1019 CD LYS A 70 6.789 -15.236 8.099 1.00 0.00 C ATOM 1020 CE LYS A 70 6.977 -16.654 8.617 1.00 0.00 C ATOM 1021 NZ LYS A 70 8.327 -16.853 9.213 1.00 0.00 N ATOM 0 H LYS A 70 7.659 -10.243 8.965 1.00 0.00 H new ATOM 0 HA LYS A 70 5.681 -11.939 10.377 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.247 -12.552 7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.906 -12.794 8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.140 -14.538 10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.494 -14.314 9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.951 -15.210 7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.675 -14.930 7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.214 -16.871 9.365 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.833 -17.361 7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.466 -17.861 9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.054 -16.541 8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.406 -16.296 10.088 1.00 0.00 H new ATOM 1035 N THR A 71 7.429 -13.003 11.923 1.00 0.00 N ATOM 1036 CA THR A 71 8.334 -13.323 13.019 1.00 0.00 C ATOM 1037 C THR A 71 9.464 -14.233 12.552 1.00 0.00 C ATOM 1038 O THR A 71 9.579 -14.538 11.364 1.00 0.00 O ATOM 1039 CB THR A 71 7.588 -14.006 14.182 1.00 0.00 C ATOM 1040 OG1 THR A 71 8.469 -14.172 15.298 1.00 0.00 O ATOM 1041 CG2 THR A 71 7.043 -15.360 13.754 1.00 0.00 C ATOM 0 H THR A 71 6.583 -13.572 11.895 1.00 0.00 H new ATOM 0 HA THR A 71 8.752 -12.379 13.369 1.00 0.00 H new ATOM 0 HB THR A 71 6.751 -13.370 14.471 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.987 -14.605 16.033 1.00 0.00 H new ATOM 0 HG21 THR A 71 6.521 -15.823 14.591 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.350 -15.227 12.923 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.867 -16.001 13.441 1.00 0.00 H new ATOM 1049 N THR A 72 10.299 -14.664 13.493 1.00 0.00 N ATOM 1050 CA THR A 72 11.421 -15.538 13.177 1.00 0.00 C ATOM 1051 C THR A 72 12.068 -15.146 11.854 1.00 0.00 C ATOM 1052 O THR A 72 12.481 -16.005 11.075 1.00 0.00 O ATOM 1053 CB THR A 72 10.980 -17.012 13.102 1.00 0.00 C ATOM 1054 OG1 THR A 72 9.984 -17.175 12.087 1.00 0.00 O ATOM 1055 CG2 THR A 72 10.430 -17.481 14.441 1.00 0.00 C ATOM 0 H THR A 72 10.219 -14.421 14.480 1.00 0.00 H new ATOM 0 HA THR A 72 12.147 -15.423 13.982 1.00 0.00 H new ATOM 0 HB THR A 72 11.852 -17.617 12.854 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.710 -18.115 12.045 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.125 -18.525 14.364 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.201 -17.384 15.205 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.569 -16.871 14.715 1.00 0.00 H new ATOM 1063 N ARG A 73 12.155 -13.843 11.606 1.00 0.00 N ATOM 1064 CA ARG A 73 12.752 -13.337 10.376 1.00 0.00 C ATOM 1065 C ARG A 73 12.944 -11.825 10.447 1.00 0.00 C ATOM 1066 O ARG A 73 12.235 -11.133 11.177 1.00 0.00 O ATOM 1067 CB ARG A 73 11.877 -13.695 9.174 1.00 0.00 C ATOM 1068 CG ARG A 73 10.774 -12.685 8.901 1.00 0.00 C ATOM 1069 CD ARG A 73 11.273 -11.534 8.043 1.00 0.00 C ATOM 1070 NE ARG A 73 10.204 -10.947 7.239 1.00 0.00 N ATOM 1071 CZ ARG A 73 10.415 -10.284 6.108 1.00 0.00 C ATOM 1072 NH1 ARG A 73 11.648 -10.124 5.649 1.00 0.00 N ATOM 1073 NH2 ARG A 73 9.390 -9.778 5.433 1.00 0.00 N ATOM 0 H ARG A 73 11.819 -13.119 12.241 1.00 0.00 H new ATOM 0 HA ARG A 73 13.729 -13.805 10.257 1.00 0.00 H new ATOM 0 HB2 ARG A 73 12.507 -13.780 8.289 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.428 -14.674 9.341 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.942 -13.180 8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.392 -12.297 9.845 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.708 -10.767 8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.067 -11.889 7.386 1.00 0.00 H new ATOM 0 HE ARG A 73 9.243 -11.052 7.564 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.438 -10.511 6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.806 -9.614 4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.440 -9.898 5.783 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.553 -9.269 4.564 1.00 0.00 H new ATOM 1087 N ARG A 74 13.908 -11.319 9.684 1.00 0.00 N ATOM 1088 CA ARG A 74 14.194 -9.890 9.662 1.00 0.00 C ATOM 1089 C ARG A 74 13.998 -9.318 8.260 1.00 0.00 C ATOM 1090 O ARG A 74 14.415 -9.919 7.270 1.00 0.00 O ATOM 1091 CB ARG A 74 15.624 -9.627 10.136 1.00 0.00 C ATOM 1092 CG ARG A 74 15.856 -9.981 11.596 1.00 0.00 C ATOM 1093 CD ARG A 74 15.413 -8.856 12.519 1.00 0.00 C ATOM 1094 NE ARG A 74 15.439 -9.258 13.923 1.00 0.00 N ATOM 1095 CZ ARG A 74 15.038 -8.476 14.919 1.00 0.00 C ATOM 1096 NH1 ARG A 74 14.583 -7.256 14.666 1.00 0.00 N ATOM 1097 NH2 ARG A 74 15.092 -8.913 16.170 1.00 0.00 N ATOM 0 H ARG A 74 14.504 -11.878 9.073 1.00 0.00 H new ATOM 0 HA ARG A 74 13.498 -9.395 10.339 1.00 0.00 H new ATOM 0 HB2 ARG A 74 16.314 -10.201 9.518 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.860 -8.574 9.984 1.00 0.00 H new ATOM 0 HG2 ARG A 74 15.310 -10.892 11.842 1.00 0.00 H new ATOM 0 HG3 ARG A 74 16.913 -10.190 11.757 1.00 0.00 H new ATOM 0 HD2 ARG A 74 16.064 -7.993 12.377 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.404 -8.542 12.250 1.00 0.00 H new ATOM 0 HE ARG A 74 15.784 -10.190 14.151 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.540 -6.917 13.705 1.00 0.00 H new ATOM 0 HH12 ARG A 74 14.276 -6.657 15.432 1.00 0.00 H new ATOM 0 HH21 ARG A 74 15.442 -9.850 16.368 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.784 -8.312 16.934 1.00 0.00 H new ATOM 1111 N GLY A 75 13.361 -8.154 8.185 1.00 0.00 N ATOM 1112 CA GLY A 75 13.121 -7.521 6.901 1.00 0.00 C ATOM 1113 C GLY A 75 11.695 -7.029 6.755 1.00 0.00 C ATOM 1114 O GLY A 75 10.994 -7.408 5.817 1.00 0.00 O ATOM 0 H GLY A 75 13.007 -7.638 8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.806 -6.682 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.341 -8.230 6.103 1.00 0.00 H new ATOM 1118 N GLU A 76 11.264 -6.184 7.687 1.00 0.00 N ATOM 1119 CA GLU A 76 9.910 -5.642 7.658 1.00 0.00 C ATOM 1120 C GLU A 76 9.551 -5.149 6.259 1.00 0.00 C ATOM 1121 O GLU A 76 10.429 -4.833 5.457 1.00 0.00 O ATOM 1122 CB GLU A 76 9.773 -4.498 8.664 1.00 0.00 C ATOM 1123 CG GLU A 76 8.399 -3.851 8.667 1.00 0.00 C ATOM 1124 CD GLU A 76 8.229 -2.837 7.552 1.00 0.00 C ATOM 1125 OE1 GLU A 76 9.252 -2.401 6.985 1.00 0.00 O ATOM 1126 OE2 GLU A 76 7.071 -2.481 7.247 1.00 0.00 O ATOM 0 H GLU A 76 11.832 -5.860 8.470 1.00 0.00 H new ATOM 0 HA GLU A 76 9.221 -6.441 7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.989 -4.876 9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.522 -3.738 8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.637 -4.624 8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.234 -3.361 9.627 1.00 0.00 H new ATOM 1133 N MET A 77 8.255 -5.087 5.974 1.00 0.00 N ATOM 1134 CA MET A 77 7.779 -4.632 4.673 1.00 0.00 C ATOM 1135 C MET A 77 6.471 -3.860 4.812 1.00 0.00 C ATOM 1136 O MET A 77 5.790 -3.955 5.832 1.00 0.00 O ATOM 1137 CB MET A 77 7.585 -5.822 3.732 1.00 0.00 C ATOM 1138 CG MET A 77 7.683 -5.456 2.260 1.00 0.00 C ATOM 1139 SD MET A 77 8.303 -6.812 1.247 1.00 0.00 S ATOM 1140 CE MET A 77 8.603 -5.967 -0.304 1.00 0.00 C ATOM 0 H MET A 77 7.515 -5.346 6.627 1.00 0.00 H new ATOM 0 HA MET A 77 8.531 -3.965 4.252 1.00 0.00 H new ATOM 0 HB2 MET A 77 8.334 -6.581 3.960 1.00 0.00 H new ATOM 0 HB3 MET A 77 6.610 -6.270 3.922 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.699 -5.157 1.898 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.340 -4.593 2.147 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.991 -6.676 -1.036 1.00 0.00 H new ATOM 0 HE2 MET A 77 7.670 -5.540 -0.672 1.00 0.00 H new ATOM 0 HE3 MET A 77 9.331 -5.171 -0.150 1.00 0.00 H new ATOM 1150 N GLU A 78 6.127 -3.096 3.779 1.00 0.00 N ATOM 1151 CA GLU A 78 4.900 -2.308 3.788 1.00 0.00 C ATOM 1152 C GLU A 78 4.299 -2.220 2.388 1.00 0.00 C ATOM 1153 O GLU A 78 4.979 -2.466 1.391 1.00 0.00 O ATOM 1154 CB GLU A 78 5.175 -0.902 4.326 1.00 0.00 C ATOM 1155 CG GLU A 78 5.843 0.016 3.316 1.00 0.00 C ATOM 1156 CD GLU A 78 7.239 -0.443 2.943 1.00 0.00 C ATOM 1157 OE1 GLU A 78 8.006 -0.814 3.856 1.00 0.00 O ATOM 1158 OE2 GLU A 78 7.564 -0.432 1.737 1.00 0.00 O ATOM 0 H GLU A 78 6.680 -3.006 2.927 1.00 0.00 H new ATOM 0 HA GLU A 78 4.184 -2.806 4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.234 -0.454 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.808 -0.978 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.229 0.068 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.894 1.025 3.726 1.00 0.00 H new ATOM 1165 N THR A 79 3.019 -1.868 2.321 1.00 0.00 N ATOM 1166 CA THR A 79 2.325 -1.749 1.045 1.00 0.00 C ATOM 1167 C THR A 79 1.126 -0.814 1.156 1.00 0.00 C ATOM 1168 O THR A 79 0.542 -0.662 2.230 1.00 0.00 O ATOM 1169 CB THR A 79 1.847 -3.122 0.536 1.00 0.00 C ATOM 1170 OG1 THR A 79 2.968 -3.992 0.347 1.00 0.00 O ATOM 1171 CG2 THR A 79 1.084 -2.977 -0.773 1.00 0.00 C ATOM 0 H THR A 79 2.442 -1.660 3.136 1.00 0.00 H new ATOM 0 HA THR A 79 3.040 -1.335 0.334 1.00 0.00 H new ATOM 0 HB THR A 79 1.178 -3.550 1.283 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.794 -3.513 0.565 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.756 -3.959 -1.114 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.215 -2.338 -0.619 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.734 -2.530 -1.525 1.00 0.00 H new ATOM 1179 N LEU A 80 0.762 -0.191 0.041 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.370 0.729 0.013 1.00 0.00 C ATOM 1181 C LEU A 80 -1.327 0.380 -1.123 1.00 0.00 C ATOM 1182 O LEU A 80 -0.899 0.024 -2.220 1.00 0.00 O ATOM 1183 CB LEU A 80 0.122 2.169 -0.143 1.00 0.00 C ATOM 1184 CG LEU A 80 0.875 2.485 -1.436 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -0.095 2.908 -2.529 1.00 0.00 C ATOM 1186 CD2 LEU A 80 1.916 3.568 -1.196 1.00 0.00 C ATOM 0 H LEU A 80 1.234 -0.306 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.907 0.635 0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.738 2.835 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.773 2.403 0.699 1.00 0.00 H new ATOM 0 HG LEU A 80 1.389 1.582 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.459 3.129 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.802 2.101 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.638 3.798 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.442 3.780 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.424 4.474 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.629 3.227 -0.446 1.00 0.00 H new ATOM 1198 N GLU A 81 -2.623 0.488 -0.851 1.00 0.00 N ATOM 1199 CA GLU A 81 -3.641 0.185 -1.851 1.00 0.00 C ATOM 1200 C GLU A 81 -4.722 1.261 -1.869 1.00 0.00 C ATOM 1201 O GLU A 81 -5.612 1.297 -1.019 1.00 0.00 O ATOM 1202 CB GLU A 81 -4.270 -1.182 -1.573 1.00 0.00 C ATOM 1203 CG GLU A 81 -5.481 -1.481 -2.440 1.00 0.00 C ATOM 1204 CD GLU A 81 -5.102 -1.989 -3.817 1.00 0.00 C ATOM 1205 OE1 GLU A 81 -4.427 -1.244 -4.558 1.00 0.00 O ATOM 1206 OE2 GLU A 81 -5.480 -3.130 -4.154 1.00 0.00 O ATOM 0 H GLU A 81 -2.993 0.783 0.053 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.159 0.162 -2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.520 -1.957 -1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.563 -1.231 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.105 -2.223 -1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.081 -0.577 -2.543 1.00 0.00 H new ATOM 1213 N PRO A 82 -4.645 2.160 -2.862 1.00 0.00 N ATOM 1214 CA PRO A 82 -5.609 3.254 -3.016 1.00 0.00 C ATOM 1215 C PRO A 82 -6.986 2.757 -3.441 1.00 0.00 C ATOM 1216 O PRO A 82 -8.004 3.369 -3.119 1.00 0.00 O ATOM 1217 CB PRO A 82 -4.990 4.120 -4.116 1.00 0.00 C ATOM 1218 CG PRO A 82 -4.133 3.185 -4.898 1.00 0.00 C ATOM 1219 CD PRO A 82 -3.611 2.178 -3.910 1.00 0.00 C ATOM 0 HA PRO A 82 -5.775 3.786 -2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.758 4.571 -4.744 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.403 4.936 -3.694 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.706 2.697 -5.687 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.314 3.718 -5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.484 1.196 -4.366 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.640 2.472 -3.511 1.00 0.00 H new ATOM 1227 N ASN A 83 -7.011 1.644 -4.167 1.00 0.00 N ATOM 1228 CA ASN A 83 -8.264 1.065 -4.637 1.00 0.00 C ATOM 1229 C ASN A 83 -9.365 1.232 -3.594 1.00 0.00 C ATOM 1230 O ASN A 83 -10.354 1.926 -3.826 1.00 0.00 O ATOM 1231 CB ASN A 83 -8.075 -0.418 -4.962 1.00 0.00 C ATOM 1232 CG ASN A 83 -7.612 -0.642 -6.389 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -8.425 -0.821 -7.296 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -6.300 -0.634 -6.593 1.00 0.00 N ATOM 0 H ASN A 83 -6.177 1.125 -4.443 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.562 1.593 -5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.346 -0.848 -4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.015 -0.945 -4.801 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.929 -0.780 -7.532 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.663 -0.482 -5.811 1.00 0.00 H new ATOM 1241 N ASN A 84 -9.185 0.591 -2.444 1.00 0.00 N ATOM 1242 CA ASN A 84 -10.163 0.668 -1.364 1.00 0.00 C ATOM 1243 C ASN A 84 -9.477 0.602 -0.003 1.00 0.00 C ATOM 1244 O ASN A 84 -8.266 0.394 0.085 1.00 0.00 O ATOM 1245 CB ASN A 84 -11.182 -0.466 -1.490 1.00 0.00 C ATOM 1246 CG ASN A 84 -12.125 -0.268 -2.661 1.00 0.00 C ATOM 1247 OD1 ASN A 84 -13.033 0.561 -2.608 1.00 0.00 O ATOM 1248 ND2 ASN A 84 -11.914 -1.032 -3.726 1.00 0.00 N ATOM 0 H ASN A 84 -8.371 0.012 -2.236 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.681 1.624 -1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.655 -1.413 -1.607 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.760 -0.535 -0.569 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.517 -0.944 -4.544 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.149 -1.706 -3.726 1.00 0.00 H new ATOM 1255 N LEU A 85 -10.258 0.779 1.056 1.00 0.00 N ATOM 1256 CA LEU A 85 -9.727 0.739 2.414 1.00 0.00 C ATOM 1257 C LEU A 85 -9.646 -0.696 2.925 1.00 0.00 C ATOM 1258 O LEU A 85 -9.856 -0.956 4.110 1.00 0.00 O ATOM 1259 CB LEU A 85 -10.601 1.577 3.350 1.00 0.00 C ATOM 1260 CG LEU A 85 -11.076 2.922 2.799 1.00 0.00 C ATOM 1261 CD1 LEU A 85 -12.229 3.462 3.631 1.00 0.00 C ATOM 1262 CD2 LEU A 85 -9.927 3.920 2.765 1.00 0.00 C ATOM 0 H LEU A 85 -11.262 0.952 1.001 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.720 1.156 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.477 0.988 3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.043 1.760 4.269 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.430 2.771 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.554 4.420 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -13.059 2.756 3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.902 3.598 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.283 4.872 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.543 4.067 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.131 3.537 2.126 1.00 0.00 H new ATOM 1274 N TRP A 86 -9.337 -1.622 2.025 1.00 0.00 N ATOM 1275 CA TRP A 86 -9.225 -3.031 2.385 1.00 0.00 C ATOM 1276 C TRP A 86 -8.210 -3.741 1.496 1.00 0.00 C ATOM 1277 O TRP A 86 -8.139 -3.487 0.294 1.00 0.00 O ATOM 1278 CB TRP A 86 -10.588 -3.716 2.273 1.00 0.00 C ATOM 1279 CG TRP A 86 -11.064 -3.864 0.859 1.00 0.00 C ATOM 1280 CD1 TRP A 86 -11.950 -3.057 0.204 1.00 0.00 C ATOM 1281 CD2 TRP A 86 -10.681 -4.882 -0.072 1.00 0.00 C ATOM 1282 NE1 TRP A 86 -12.141 -3.511 -1.078 1.00 0.00 N ATOM 1283 CE2 TRP A 86 -11.373 -4.629 -1.273 1.00 0.00 C ATOM 1284 CE3 TRP A 86 -9.820 -5.980 -0.010 1.00 0.00 C ATOM 1285 CZ2 TRP A 86 -11.230 -5.436 -2.398 1.00 0.00 C ATOM 1286 CZ3 TRP A 86 -9.679 -6.780 -1.127 1.00 0.00 C ATOM 1287 CH2 TRP A 86 -10.380 -6.505 -2.309 1.00 0.00 C ATOM 0 H TRP A 86 -9.159 -1.423 1.041 1.00 0.00 H new ATOM 0 HA TRP A 86 -8.880 -3.091 3.417 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.530 -4.702 2.734 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.323 -3.142 2.838 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -12.430 -2.189 0.631 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -12.755 -3.085 -1.772 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -9.274 -6.200 0.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -11.771 -5.226 -3.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -9.017 -7.632 -1.089 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -10.247 -7.149 -3.166 1.00 0.00 H new ATOM 1298 N TYR A 87 -7.427 -4.631 2.095 1.00 0.00 N ATOM 1299 CA TYR A 87 -6.414 -5.377 1.357 1.00 0.00 C ATOM 1300 C TYR A 87 -6.407 -6.845 1.773 1.00 0.00 C ATOM 1301 O TYR A 87 -6.181 -7.171 2.939 1.00 0.00 O ATOM 1302 CB TYR A 87 -5.032 -4.764 1.587 1.00 0.00 C ATOM 1303 CG TYR A 87 -4.016 -5.151 0.536 1.00 0.00 C ATOM 1304 CD1 TYR A 87 -3.233 -6.289 0.685 1.00 0.00 C ATOM 1305 CD2 TYR A 87 -3.838 -4.379 -0.605 1.00 0.00 C ATOM 1306 CE1 TYR A 87 -2.303 -6.647 -0.272 1.00 0.00 C ATOM 1307 CE2 TYR A 87 -2.912 -4.729 -1.568 1.00 0.00 C ATOM 1308 CZ TYR A 87 -2.146 -5.864 -1.397 1.00 0.00 C ATOM 1309 OH TYR A 87 -1.221 -6.216 -2.353 1.00 0.00 O ATOM 0 H TYR A 87 -7.474 -4.854 3.089 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.658 -5.320 0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -5.124 -3.678 1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.665 -5.072 2.566 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.353 -6.905 1.564 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.434 -3.489 -0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.702 -7.535 -0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.788 -4.118 -2.450 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.237 -5.560 -3.081 1.00 0.00 H new ATOM 1319 N LEU A 88 -6.657 -7.726 0.812 1.00 0.00 N ATOM 1320 CA LEU A 88 -6.679 -9.161 1.076 1.00 0.00 C ATOM 1321 C LEU A 88 -5.325 -9.792 0.768 1.00 0.00 C ATOM 1322 O LEU A 88 -4.980 -10.012 -0.393 1.00 0.00 O ATOM 1323 CB LEU A 88 -7.770 -9.836 0.243 1.00 0.00 C ATOM 1324 CG LEU A 88 -8.115 -11.275 0.627 1.00 0.00 C ATOM 1325 CD1 LEU A 88 -6.877 -12.157 0.557 1.00 0.00 C ATOM 1326 CD2 LEU A 88 -8.728 -11.323 2.019 1.00 0.00 C ATOM 0 H LEU A 88 -6.847 -7.473 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.895 -9.308 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.677 -9.235 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.460 -9.824 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.848 -11.655 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.141 -13.178 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.480 -12.147 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.121 -11.779 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.967 -12.355 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.018 -10.924 2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.639 -10.724 2.036 1.00 0.00 H new ATOM 1338 N PHE A 89 -4.562 -10.084 1.816 1.00 0.00 N ATOM 1339 CA PHE A 89 -3.246 -10.692 1.659 1.00 0.00 C ATOM 1340 C PHE A 89 -3.363 -12.202 1.475 1.00 0.00 C ATOM 1341 O PHE A 89 -4.261 -12.839 2.026 1.00 0.00 O ATOM 1342 CB PHE A 89 -2.369 -10.381 2.873 1.00 0.00 C ATOM 1343 CG PHE A 89 -1.863 -8.967 2.901 1.00 0.00 C ATOM 1344 CD1 PHE A 89 -0.659 -8.636 2.299 1.00 0.00 C ATOM 1345 CD2 PHE A 89 -2.591 -7.969 3.528 1.00 0.00 C ATOM 1346 CE1 PHE A 89 -0.191 -7.335 2.323 1.00 0.00 C ATOM 1347 CE2 PHE A 89 -2.128 -6.667 3.555 1.00 0.00 C ATOM 1348 CZ PHE A 89 -0.926 -6.350 2.952 1.00 0.00 C ATOM 0 H PHE A 89 -4.833 -9.909 2.784 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.782 -10.270 0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.940 -10.572 3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.519 -11.063 2.881 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.080 -9.403 1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.531 -8.211 4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.749 -7.090 1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.705 -5.898 4.047 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.562 -5.333 2.973 1.00 0.00 H new ATOM 1358 N THR A 90 -2.448 -12.770 0.695 1.00 0.00 N ATOM 1359 CA THR A 90 -2.449 -14.204 0.436 1.00 0.00 C ATOM 1360 C THR A 90 -1.027 -14.744 0.330 1.00 0.00 C ATOM 1361 O THR A 90 -0.104 -14.021 -0.044 1.00 0.00 O ATOM 1362 CB THR A 90 -3.211 -14.541 -0.860 1.00 0.00 C ATOM 1363 OG1 THR A 90 -2.734 -13.725 -1.935 1.00 0.00 O ATOM 1364 CG2 THR A 90 -4.706 -14.327 -0.679 1.00 0.00 C ATOM 0 H THR A 90 -1.697 -12.258 0.232 1.00 0.00 H new ATOM 0 HA THR A 90 -2.953 -14.677 1.279 1.00 0.00 H new ATOM 0 HB THR A 90 -3.036 -15.591 -1.096 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.222 -13.947 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.223 -14.571 -1.607 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.072 -14.971 0.121 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.896 -13.285 -0.421 1.00 0.00 H new ATOM 1372 N GLY A 91 -0.857 -16.020 0.662 1.00 0.00 N ATOM 1373 CA GLY A 91 0.456 -16.635 0.597 1.00 0.00 C ATOM 1374 C GLY A 91 1.190 -16.575 1.922 1.00 0.00 C ATOM 1375 O GLY A 91 2.364 -16.203 1.973 1.00 0.00 O ATOM 0 H GLY A 91 -1.605 -16.639 0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.352 -17.676 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.051 -16.135 -0.167 1.00 0.00 H new ATOM 1379 N LEU A 92 0.500 -16.939 2.996 1.00 0.00 N ATOM 1380 CA LEU A 92 1.094 -16.923 4.329 1.00 0.00 C ATOM 1381 C LEU A 92 1.338 -18.342 4.833 1.00 0.00 C ATOM 1382 O LEU A 92 0.505 -19.228 4.647 1.00 0.00 O ATOM 1383 CB LEU A 92 0.186 -16.172 5.304 1.00 0.00 C ATOM 1384 CG LEU A 92 -0.368 -14.835 4.811 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -1.566 -14.413 5.647 1.00 0.00 C ATOM 1386 CD2 LEU A 92 0.713 -13.764 4.846 1.00 0.00 C ATOM 0 H LEU A 92 -0.471 -17.249 2.971 1.00 0.00 H new ATOM 0 HA LEU A 92 2.053 -16.409 4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.654 -16.819 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.742 -15.995 6.224 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.696 -14.958 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.947 -13.459 5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.347 -15.169 5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.264 -14.308 6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.301 -12.819 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.072 -13.643 5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.541 -14.062 4.203 1.00 0.00 H new ATOM 1398 N GLU A 93 2.485 -18.548 5.474 1.00 0.00 N ATOM 1399 CA GLU A 93 2.837 -19.859 6.006 1.00 0.00 C ATOM 1400 C GLU A 93 1.819 -20.314 7.048 1.00 0.00 C ATOM 1401 O GLU A 93 1.265 -19.502 7.789 1.00 0.00 O ATOM 1402 CB GLU A 93 4.235 -19.823 6.626 1.00 0.00 C ATOM 1403 CG GLU A 93 4.784 -21.198 6.969 1.00 0.00 C ATOM 1404 CD GLU A 93 5.429 -21.882 5.778 1.00 0.00 C ATOM 1405 OE1 GLU A 93 6.237 -21.230 5.085 1.00 0.00 O ATOM 1406 OE2 GLU A 93 5.124 -23.070 5.541 1.00 0.00 O ATOM 0 H GLU A 93 3.185 -17.824 5.637 1.00 0.00 H new ATOM 0 HA GLU A 93 2.831 -20.571 5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.918 -19.331 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.206 -19.216 7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.517 -21.103 7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.976 -21.823 7.349 1.00 0.00 H new ATOM 1413 N LYS A 94 1.576 -21.620 7.098 1.00 0.00 N ATOM 1414 CA LYS A 94 0.625 -22.186 8.047 1.00 0.00 C ATOM 1415 C LYS A 94 1.199 -22.180 9.460 1.00 0.00 C ATOM 1416 O LYS A 94 2.408 -22.307 9.650 1.00 0.00 O ATOM 1417 CB LYS A 94 0.257 -23.615 7.641 1.00 0.00 C ATOM 1418 CG LYS A 94 1.378 -24.617 7.857 1.00 0.00 C ATOM 1419 CD LYS A 94 0.957 -26.020 7.451 1.00 0.00 C ATOM 1420 CE LYS A 94 2.123 -26.994 7.526 1.00 0.00 C ATOM 1421 NZ LYS A 94 1.725 -28.368 7.111 1.00 0.00 N ATOM 0 H LYS A 94 2.025 -22.306 6.492 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.273 -21.569 8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.617 -23.932 8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.028 -23.623 6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.252 -24.317 7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.673 -24.614 8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.153 -26.363 8.102 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.560 -26.003 6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.932 -26.642 6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.510 -27.020 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.547 -29.002 7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.970 -28.715 7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.380 -28.348 6.130 1.00 0.00 H new ATOM 1435 N GLY A 95 0.323 -22.033 10.450 1.00 0.00 N ATOM 1436 CA GLY A 95 0.762 -22.015 11.833 1.00 0.00 C ATOM 1437 C GLY A 95 1.937 -21.083 12.056 1.00 0.00 C ATOM 1438 O GLY A 95 3.062 -21.533 12.270 1.00 0.00 O ATOM 0 H GLY A 95 -0.683 -21.926 10.318 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.067 -21.708 12.470 1.00 0.00 H new ATOM 0 HA3 GLY A 95 1.040 -23.024 12.136 1.00 0.00 H new ATOM 1442 N SER A 96 1.675 -19.781 12.005 1.00 0.00 N ATOM 1443 CA SER A 96 2.721 -18.783 12.198 1.00 0.00 C ATOM 1444 C SER A 96 2.123 -17.441 12.608 1.00 0.00 C ATOM 1445 O SER A 96 0.963 -17.151 12.314 1.00 0.00 O ATOM 1446 CB SER A 96 3.541 -18.618 10.916 1.00 0.00 C ATOM 1447 OG SER A 96 4.001 -19.871 10.440 1.00 0.00 O ATOM 0 H SER A 96 0.748 -19.392 11.832 1.00 0.00 H new ATOM 0 HA SER A 96 3.375 -19.129 12.998 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.932 -18.136 10.151 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.391 -17.963 11.106 1.00 0.00 H new ATOM 0 HG SER A 96 4.060 -20.503 11.187 1.00 0.00 H new ATOM 1453 N GLN A 97 2.922 -16.628 13.290 1.00 0.00 N ATOM 1454 CA GLN A 97 2.472 -15.317 13.742 1.00 0.00 C ATOM 1455 C GLN A 97 2.688 -14.264 12.660 1.00 0.00 C ATOM 1456 O GLN A 97 3.704 -14.273 11.965 1.00 0.00 O ATOM 1457 CB GLN A 97 3.211 -14.912 15.019 1.00 0.00 C ATOM 1458 CG GLN A 97 2.397 -14.013 15.934 1.00 0.00 C ATOM 1459 CD GLN A 97 1.543 -14.795 16.913 1.00 0.00 C ATOM 1460 OE1 GLN A 97 2.017 -15.733 17.556 1.00 0.00 O ATOM 1461 NE2 GLN A 97 0.277 -14.414 17.031 1.00 0.00 N ATOM 0 H GLN A 97 3.884 -16.854 13.542 1.00 0.00 H new ATOM 0 HA GLN A 97 1.405 -15.381 13.953 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.494 -15.811 15.566 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.134 -14.400 14.748 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.071 -13.359 16.488 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.755 -13.372 15.330 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.074 -13.631 16.479 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.345 -14.904 17.674 1.00 0.00 H new ATOM 1470 N TYR A 98 1.726 -13.358 12.523 1.00 0.00 N ATOM 1471 CA TYR A 98 1.809 -12.300 11.523 1.00 0.00 C ATOM 1472 C TYR A 98 1.306 -10.975 12.088 1.00 0.00 C ATOM 1473 O TYR A 98 0.236 -10.912 12.693 1.00 0.00 O ATOM 1474 CB TYR A 98 1.000 -12.678 10.281 1.00 0.00 C ATOM 1475 CG TYR A 98 1.670 -13.720 9.415 1.00 0.00 C ATOM 1476 CD1 TYR A 98 2.657 -13.364 8.504 1.00 0.00 C ATOM 1477 CD2 TYR A 98 1.317 -15.060 9.508 1.00 0.00 C ATOM 1478 CE1 TYR A 98 3.272 -14.312 7.710 1.00 0.00 C ATOM 1479 CE2 TYR A 98 1.928 -16.016 8.719 1.00 0.00 C ATOM 1480 CZ TYR A 98 2.904 -15.637 7.821 1.00 0.00 C ATOM 1481 OH TYR A 98 3.515 -16.585 7.033 1.00 0.00 O ATOM 0 H TYR A 98 0.880 -13.335 13.092 1.00 0.00 H new ATOM 0 HA TYR A 98 2.856 -12.181 11.244 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.024 -13.050 10.593 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.824 -11.782 9.686 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.948 -12.328 8.415 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.552 -15.360 10.209 1.00 0.00 H new ATOM 0 HE1 TYR A 98 4.037 -14.018 7.006 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.643 -17.054 8.805 1.00 0.00 H new ATOM 0 HH TYR A 98 4.206 -17.047 7.553 1.00 0.00 H new ATOM 1491 N SER A 99 2.087 -9.919 11.886 1.00 0.00 N ATOM 1492 CA SER A 99 1.724 -8.595 12.378 1.00 0.00 C ATOM 1493 C SER A 99 1.243 -7.704 11.237 1.00 0.00 C ATOM 1494 O SER A 99 1.593 -7.920 10.076 1.00 0.00 O ATOM 1495 CB SER A 99 2.917 -7.944 13.080 1.00 0.00 C ATOM 1496 OG SER A 99 3.585 -8.871 13.918 1.00 0.00 O ATOM 0 H SER A 99 2.975 -9.954 11.385 1.00 0.00 H new ATOM 0 HA SER A 99 0.910 -8.711 13.093 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.612 -7.555 12.336 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.575 -7.095 13.672 1.00 0.00 H new ATOM 0 HG SER A 99 4.121 -8.386 14.580 1.00 0.00 H new ATOM 1502 N PHE A 100 0.439 -6.702 11.575 1.00 0.00 N ATOM 1503 CA PHE A 100 -0.092 -5.778 10.579 1.00 0.00 C ATOM 1504 C PHE A 100 -0.219 -4.371 11.156 1.00 0.00 C ATOM 1505 O PHE A 100 0.028 -4.151 12.341 1.00 0.00 O ATOM 1506 CB PHE A 100 -1.455 -6.262 10.079 1.00 0.00 C ATOM 1507 CG PHE A 100 -1.374 -7.479 9.203 1.00 0.00 C ATOM 1508 CD1 PHE A 100 -1.144 -8.731 9.753 1.00 0.00 C ATOM 1509 CD2 PHE A 100 -1.528 -7.373 7.830 1.00 0.00 C ATOM 1510 CE1 PHE A 100 -1.070 -9.853 8.949 1.00 0.00 C ATOM 1511 CE2 PHE A 100 -1.455 -8.492 7.022 1.00 0.00 C ATOM 1512 CZ PHE A 100 -1.224 -9.733 7.582 1.00 0.00 C ATOM 0 H PHE A 100 0.141 -6.509 12.531 1.00 0.00 H new ATOM 0 HA PHE A 100 0.604 -5.746 9.741 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.090 -6.483 10.937 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.937 -5.457 9.525 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.021 -8.831 10.821 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.707 -6.405 7.386 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -0.892 -10.823 9.390 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.579 -8.396 5.953 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.164 -10.608 6.952 1.00 0.00 H new ATOM 1522 N GLN A 101 -0.606 -3.424 10.308 1.00 0.00 N ATOM 1523 CA GLN A 101 -0.765 -2.038 10.733 1.00 0.00 C ATOM 1524 C GLN A 101 -1.466 -1.215 9.657 1.00 0.00 C ATOM 1525 O GLN A 101 -1.581 -1.645 8.509 1.00 0.00 O ATOM 1526 CB GLN A 101 0.598 -1.422 11.056 1.00 0.00 C ATOM 1527 CG GLN A 101 0.517 -0.216 11.978 1.00 0.00 C ATOM 1528 CD GLN A 101 1.760 -0.048 12.829 1.00 0.00 C ATOM 1529 OE1 GLN A 101 1.761 -0.367 14.019 1.00 0.00 O ATOM 1530 NE2 GLN A 101 2.829 0.455 12.223 1.00 0.00 N ATOM 0 H GLN A 101 -0.815 -3.591 9.324 1.00 0.00 H new ATOM 0 HA GLN A 101 -1.382 -2.029 11.631 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.230 -2.180 11.518 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.083 -1.126 10.126 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.366 0.683 11.381 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -0.352 -0.318 12.627 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.785 0.706 11.235 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.695 0.591 12.745 1.00 0.00 H new ATOM 1539 N VAL A 102 -1.934 -0.030 10.036 1.00 0.00 N ATOM 1540 CA VAL A 102 -2.623 0.853 9.103 1.00 0.00 C ATOM 1541 C VAL A 102 -2.401 2.317 9.466 1.00 0.00 C ATOM 1542 O VAL A 102 -2.488 2.698 10.633 1.00 0.00 O ATOM 1543 CB VAL A 102 -4.136 0.567 9.073 1.00 0.00 C ATOM 1544 CG1 VAL A 102 -4.822 1.426 8.021 1.00 0.00 C ATOM 1545 CG2 VAL A 102 -4.394 -0.910 8.818 1.00 0.00 C ATOM 0 H VAL A 102 -1.848 0.340 10.983 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.204 0.659 8.116 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.555 0.823 10.046 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.890 1.210 8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.666 2.479 8.253 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.401 1.205 7.040 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -5.468 -1.094 8.800 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.961 -1.195 7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.938 -1.501 9.612 1.00 0.00 H new ATOM 1555 N SER A 103 -2.113 3.134 8.458 1.00 0.00 N ATOM 1556 CA SER A 103 -1.875 4.557 8.671 1.00 0.00 C ATOM 1557 C SER A 103 -2.597 5.392 7.618 1.00 0.00 C ATOM 1558 O SER A 103 -2.676 5.008 6.452 1.00 0.00 O ATOM 1559 CB SER A 103 -0.375 4.855 8.634 1.00 0.00 C ATOM 1560 OG SER A 103 -0.134 6.248 8.531 1.00 0.00 O ATOM 0 H SER A 103 -2.039 2.835 7.486 1.00 0.00 H new ATOM 0 HA SER A 103 -2.267 4.823 9.652 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.098 4.467 9.536 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.080 4.340 7.788 1.00 0.00 H new ATOM 0 HG SER A 103 0.384 6.549 9.307 1.00 0.00 H new ATOM 1566 N ALA A 104 -3.124 6.537 8.040 1.00 0.00 N ATOM 1567 CA ALA A 104 -3.838 7.429 7.134 1.00 0.00 C ATOM 1568 C ALA A 104 -2.878 8.383 6.433 1.00 0.00 C ATOM 1569 O ALA A 104 -2.293 9.264 7.063 1.00 0.00 O ATOM 1570 CB ALA A 104 -4.902 8.209 7.893 1.00 0.00 C ATOM 0 H ALA A 104 -3.070 6.869 9.003 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.324 6.820 6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.428 8.871 7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.612 7.514 8.342 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.429 8.801 8.677 1.00 0.00 H new ATOM 1576 N MET A 105 -2.720 8.202 5.126 1.00 0.00 N ATOM 1577 CA MET A 105 -1.830 9.048 4.339 1.00 0.00 C ATOM 1578 C MET A 105 -2.572 10.271 3.808 1.00 0.00 C ATOM 1579 O MET A 105 -3.680 10.158 3.282 1.00 0.00 O ATOM 1580 CB MET A 105 -1.233 8.254 3.176 1.00 0.00 C ATOM 1581 CG MET A 105 0.080 7.569 3.519 1.00 0.00 C ATOM 1582 SD MET A 105 1.057 7.169 2.057 1.00 0.00 S ATOM 1583 CE MET A 105 0.384 5.565 1.628 1.00 0.00 C ATOM 0 H MET A 105 -3.197 7.477 4.589 1.00 0.00 H new ATOM 0 HA MET A 105 -1.023 9.388 4.989 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.953 7.502 2.853 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.074 8.925 2.332 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.663 8.216 4.175 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.126 6.654 4.075 1.00 0.00 H new ATOM 0 HE1 MET A 105 1.134 4.795 1.809 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.496 5.365 2.239 1.00 0.00 H new ATOM 0 HE3 MET A 105 0.104 5.558 0.575 1.00 0.00 H new ATOM 1593 N THR A 106 -1.955 11.440 3.949 1.00 0.00 N ATOM 1594 CA THR A 106 -2.557 12.683 3.485 1.00 0.00 C ATOM 1595 C THR A 106 -1.745 13.297 2.350 1.00 0.00 C ATOM 1596 O THR A 106 -0.601 12.911 2.112 1.00 0.00 O ATOM 1597 CB THR A 106 -2.678 13.709 4.627 1.00 0.00 C ATOM 1598 OG1 THR A 106 -1.389 13.962 5.198 1.00 0.00 O ATOM 1599 CG2 THR A 106 -3.626 13.208 5.706 1.00 0.00 C ATOM 0 H THR A 106 -1.038 11.551 4.381 1.00 0.00 H new ATOM 0 HA THR A 106 -3.554 12.435 3.122 1.00 0.00 H new ATOM 0 HB THR A 106 -3.079 14.634 4.213 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.300 14.918 5.395 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.696 13.949 6.502 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.614 13.044 5.275 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.249 12.271 6.115 1.00 0.00 H new ATOM 1607 N VAL A 107 -2.344 14.256 1.652 1.00 0.00 N ATOM 1608 CA VAL A 107 -1.676 14.925 0.542 1.00 0.00 C ATOM 1609 C VAL A 107 -0.282 15.396 0.943 1.00 0.00 C ATOM 1610 O VAL A 107 0.561 15.668 0.090 1.00 0.00 O ATOM 1611 CB VAL A 107 -2.490 16.134 0.043 1.00 0.00 C ATOM 1612 CG1 VAL A 107 -2.669 17.154 1.157 1.00 0.00 C ATOM 1613 CG2 VAL A 107 -1.818 16.765 -1.167 1.00 0.00 C ATOM 0 H VAL A 107 -3.291 14.587 1.836 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.593 14.195 -0.263 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.478 15.786 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.246 18.001 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.197 16.693 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.692 17.501 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.406 17.618 -1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.817 17.100 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.748 16.030 -1.969 1.00 0.00 H new ATOM 1623 N ASN A 108 -0.048 15.488 2.248 1.00 0.00 N ATOM 1624 CA ASN A 108 1.245 15.926 2.763 1.00 0.00 C ATOM 1625 C ASN A 108 2.173 14.736 2.986 1.00 0.00 C ATOM 1626 O ASN A 108 3.099 14.504 2.210 1.00 0.00 O ATOM 1627 CB ASN A 108 1.061 16.696 4.072 1.00 0.00 C ATOM 1628 CG ASN A 108 0.269 17.976 3.884 1.00 0.00 C ATOM 1629 OD1 ASN A 108 -0.888 18.069 4.292 1.00 0.00 O ATOM 1630 ND2 ASN A 108 0.892 18.971 3.263 1.00 0.00 N ATOM 0 H ASN A 108 -0.736 15.265 2.968 1.00 0.00 H new ATOM 0 HA ASN A 108 1.699 16.584 2.023 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.552 16.060 4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 108 2.039 16.935 4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 108 0.410 19.857 3.108 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.852 18.850 2.941 1.00 0.00 H new ATOM 1637 N GLY A 109 1.916 13.984 4.052 1.00 0.00 N ATOM 1638 CA GLY A 109 2.737 12.826 4.358 1.00 0.00 C ATOM 1639 C GLY A 109 1.973 11.757 5.113 1.00 0.00 C ATOM 1640 O GLY A 109 0.741 11.755 5.126 1.00 0.00 O ATOM 0 H GLY A 109 1.155 14.155 4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.125 12.404 3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.597 13.140 4.950 1.00 0.00 H new ATOM 1644 N THR A 110 2.703 10.843 5.743 1.00 0.00 N ATOM 1645 CA THR A 110 2.087 9.762 6.501 1.00 0.00 C ATOM 1646 C THR A 110 1.996 10.111 7.982 1.00 0.00 C ATOM 1647 O THR A 110 2.910 10.712 8.546 1.00 0.00 O ATOM 1648 CB THR A 110 2.873 8.446 6.343 1.00 0.00 C ATOM 1649 OG1 THR A 110 3.149 8.204 4.959 1.00 0.00 O ATOM 1650 CG2 THR A 110 2.091 7.276 6.922 1.00 0.00 C ATOM 0 H THR A 110 3.723 10.830 5.743 1.00 0.00 H new ATOM 0 HA THR A 110 1.083 9.627 6.100 1.00 0.00 H new ATOM 0 HB THR A 110 3.812 8.541 6.889 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.827 7.312 4.712 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.666 6.358 6.799 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.908 7.450 7.982 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.139 7.181 6.400 1.00 0.00 H new ATOM 1658 N GLY A 111 0.887 9.729 8.609 1.00 0.00 N ATOM 1659 CA GLY A 111 0.698 10.011 10.020 1.00 0.00 C ATOM 1660 C GLY A 111 1.359 8.978 10.911 1.00 0.00 C ATOM 1661 O GLY A 111 2.187 8.182 10.466 1.00 0.00 O ATOM 0 H GLY A 111 0.117 9.229 8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 111 1.104 10.996 10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.369 10.047 10.240 1.00 0.00 H new ATOM 1665 N PRO A 112 0.995 8.984 12.202 1.00 0.00 N ATOM 1666 CA PRO A 112 1.548 8.047 13.185 1.00 0.00 C ATOM 1667 C PRO A 112 1.071 6.617 12.955 1.00 0.00 C ATOM 1668 O PRO A 112 -0.040 6.376 12.483 1.00 0.00 O ATOM 1669 CB PRO A 112 1.018 8.580 14.519 1.00 0.00 C ATOM 1670 CG PRO A 112 -0.226 9.319 14.165 1.00 0.00 C ATOM 1671 CD PRO A 112 0.014 9.905 12.801 1.00 0.00 C ATOM 0 HA PRO A 112 2.636 7.995 13.133 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.811 7.768 15.216 1.00 0.00 H new ATOM 0 HB3 PRO A 112 1.744 9.235 15.000 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.088 8.651 14.157 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.436 10.101 14.894 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -0.904 9.950 12.216 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.403 10.921 12.863 1.00 0.00 H new ATOM 1679 N PRO A 113 1.929 5.645 13.296 1.00 0.00 N ATOM 1680 CA PRO A 113 1.616 4.221 13.137 1.00 0.00 C ATOM 1681 C PRO A 113 0.543 3.751 14.112 1.00 0.00 C ATOM 1682 O PRO A 113 0.660 3.947 15.322 1.00 0.00 O ATOM 1683 CB PRO A 113 2.949 3.530 13.435 1.00 0.00 C ATOM 1684 CG PRO A 113 3.683 4.484 14.312 1.00 0.00 C ATOM 1685 CD PRO A 113 3.270 5.859 13.865 1.00 0.00 C ATOM 0 HA PRO A 113 1.217 3.999 12.147 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.796 2.572 13.933 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.504 3.328 12.519 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.432 4.323 15.360 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.761 4.350 14.218 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.246 6.562 14.698 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.960 6.265 13.125 1.00 0.00 H new ATOM 1693 N SER A 114 -0.504 3.130 13.578 1.00 0.00 N ATOM 1694 CA SER A 114 -1.601 2.634 14.402 1.00 0.00 C ATOM 1695 C SER A 114 -1.152 1.446 15.247 1.00 0.00 C ATOM 1696 O SER A 114 -0.217 0.732 14.886 1.00 0.00 O ATOM 1697 CB SER A 114 -2.785 2.229 13.522 1.00 0.00 C ATOM 1698 OG SER A 114 -3.961 2.062 14.294 1.00 0.00 O ATOM 0 H SER A 114 -0.616 2.958 12.579 1.00 0.00 H new ATOM 0 HA SER A 114 -1.912 3.437 15.071 1.00 0.00 H new ATOM 0 HB2 SER A 114 -2.952 2.990 12.759 1.00 0.00 H new ATOM 0 HB3 SER A 114 -2.554 1.300 13.001 1.00 0.00 H new ATOM 0 HG SER A 114 -4.649 2.686 13.981 1.00 0.00 H new ATOM 1704 N ASN A 115 -1.825 1.242 16.375 1.00 0.00 N ATOM 1705 CA ASN A 115 -1.496 0.141 17.273 1.00 0.00 C ATOM 1706 C ASN A 115 -1.100 -1.104 16.485 1.00 0.00 C ATOM 1707 O ASN A 115 -1.800 -1.513 15.559 1.00 0.00 O ATOM 1708 CB ASN A 115 -2.684 -0.174 18.184 1.00 0.00 C ATOM 1709 CG ASN A 115 -3.247 1.067 18.850 1.00 0.00 C ATOM 1710 OD1 ASN A 115 -3.847 1.919 18.195 1.00 0.00 O ATOM 1711 ND2 ASN A 115 -3.054 1.173 20.160 1.00 0.00 N ATOM 0 H ASN A 115 -2.601 1.825 16.689 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.648 0.446 17.886 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.468 -0.657 17.600 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.373 -0.885 18.950 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.409 1.986 20.664 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -2.551 0.442 20.662 1.00 0.00 H new ATOM 1718 N TRP A 116 0.025 -1.701 16.860 1.00 0.00 N ATOM 1719 CA TRP A 116 0.514 -2.900 16.189 1.00 0.00 C ATOM 1720 C TRP A 116 -0.329 -4.115 16.562 1.00 0.00 C ATOM 1721 O TRP A 116 -0.256 -4.611 17.686 1.00 0.00 O ATOM 1722 CB TRP A 116 1.979 -3.151 16.551 1.00 0.00 C ATOM 1723 CG TRP A 116 2.944 -2.467 15.630 1.00 0.00 C ATOM 1724 CD1 TRP A 116 3.665 -1.337 15.890 1.00 0.00 C ATOM 1725 CD2 TRP A 116 3.291 -2.870 14.300 1.00 0.00 C ATOM 1726 NE1 TRP A 116 4.439 -1.013 14.802 1.00 0.00 N ATOM 1727 CE2 TRP A 116 4.228 -1.938 13.814 1.00 0.00 C ATOM 1728 CE3 TRP A 116 2.902 -3.927 13.474 1.00 0.00 C ATOM 1729 CZ2 TRP A 116 4.780 -2.033 12.539 1.00 0.00 C ATOM 1730 CZ3 TRP A 116 3.450 -4.020 12.209 1.00 0.00 C ATOM 1731 CH2 TRP A 116 4.381 -3.078 11.752 1.00 0.00 C ATOM 0 H TRP A 116 0.616 -1.375 17.625 1.00 0.00 H new ATOM 0 HA TRP A 116 0.434 -2.742 15.114 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.157 -2.810 17.571 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.171 -4.224 16.535 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.632 -0.780 16.815 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.069 -0.213 14.740 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.186 -4.658 13.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 5.497 -1.308 12.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.156 -4.833 11.561 1.00 0.00 H new ATOM 0 HH2 TRP A 116 4.792 -3.179 10.758 1.00 0.00 H new ATOM 1742 N TYR A 117 -1.129 -4.588 15.612 1.00 0.00 N ATOM 1743 CA TYR A 117 -1.988 -5.744 15.842 1.00 0.00 C ATOM 1744 C TYR A 117 -1.328 -7.022 15.335 1.00 0.00 C ATOM 1745 O TYR A 117 -0.434 -6.982 14.490 1.00 0.00 O ATOM 1746 CB TYR A 117 -3.339 -5.546 15.154 1.00 0.00 C ATOM 1747 CG TYR A 117 -4.150 -4.406 15.728 1.00 0.00 C ATOM 1748 CD1 TYR A 117 -3.959 -3.102 15.289 1.00 0.00 C ATOM 1749 CD2 TYR A 117 -5.108 -4.634 16.709 1.00 0.00 C ATOM 1750 CE1 TYR A 117 -4.697 -2.057 15.811 1.00 0.00 C ATOM 1751 CE2 TYR A 117 -5.851 -3.595 17.235 1.00 0.00 C ATOM 1752 CZ TYR A 117 -5.642 -2.309 16.784 1.00 0.00 C ATOM 1753 OH TYR A 117 -6.380 -1.271 17.306 1.00 0.00 O ATOM 0 H TYR A 117 -1.200 -4.189 14.676 1.00 0.00 H new ATOM 0 HA TYR A 117 -2.146 -5.840 16.916 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.173 -5.364 14.092 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -3.916 -6.467 15.233 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -3.221 -2.902 14.526 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -5.274 -5.640 17.066 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -4.535 -1.049 15.459 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -6.592 -3.789 17.996 1.00 0.00 H new ATOM 0 HH TYR A 117 -7.002 -1.618 17.979 1.00 0.00 H new ATOM 1763 N THR A 118 -1.777 -8.159 15.858 1.00 0.00 N ATOM 1764 CA THR A 118 -1.232 -9.451 15.460 1.00 0.00 C ATOM 1765 C THR A 118 -2.339 -10.484 15.281 1.00 0.00 C ATOM 1766 O THR A 118 -3.293 -10.525 16.057 1.00 0.00 O ATOM 1767 CB THR A 118 -0.218 -9.976 16.495 1.00 0.00 C ATOM 1768 OG1 THR A 118 0.812 -9.004 16.708 1.00 0.00 O ATOM 1769 CG2 THR A 118 0.401 -11.285 16.029 1.00 0.00 C ATOM 0 H THR A 118 -2.517 -8.211 16.558 1.00 0.00 H new ATOM 0 HA THR A 118 -0.723 -9.299 14.508 1.00 0.00 H new ATOM 0 HB THR A 118 -0.747 -10.155 17.431 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.452 -9.344 17.368 1.00 0.00 H new ATOM 0 HG21 THR A 118 1.113 -11.637 16.775 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.383 -12.031 15.896 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.916 -11.127 15.082 1.00 0.00 H new ATOM 1777 N ALA A 119 -2.205 -11.317 14.255 1.00 0.00 N ATOM 1778 CA ALA A 119 -3.193 -12.351 13.976 1.00 0.00 C ATOM 1779 C ALA A 119 -2.527 -13.711 13.791 1.00 0.00 C ATOM 1780 O ALA A 119 -1.441 -13.807 13.221 1.00 0.00 O ATOM 1781 CB ALA A 119 -4.005 -11.987 12.742 1.00 0.00 C ATOM 0 H ALA A 119 -1.421 -11.296 13.603 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.864 -12.417 14.832 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.739 -12.769 12.546 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.519 -11.041 12.911 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.340 -11.891 11.884 1.00 0.00 H new ATOM 1787 N GLU A 120 -3.186 -14.758 14.277 1.00 0.00 N ATOM 1788 CA GLU A 120 -2.655 -16.112 14.166 1.00 0.00 C ATOM 1789 C GLU A 120 -3.408 -16.906 13.102 1.00 0.00 C ATOM 1790 O GLU A 120 -4.638 -16.975 13.117 1.00 0.00 O ATOM 1791 CB GLU A 120 -2.745 -16.831 15.514 1.00 0.00 C ATOM 1792 CG GLU A 120 -1.922 -16.175 16.610 1.00 0.00 C ATOM 1793 CD GLU A 120 -2.520 -16.377 17.988 1.00 0.00 C ATOM 1794 OE1 GLU A 120 -3.565 -15.758 18.279 1.00 0.00 O ATOM 1795 OE2 GLU A 120 -1.943 -17.154 18.777 1.00 0.00 O ATOM 0 H GLU A 120 -4.087 -14.695 14.751 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.609 -16.041 13.869 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.788 -16.868 15.828 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.413 -17.862 15.389 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.911 -16.582 16.593 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.839 -15.107 16.407 1.00 0.00 H new ATOM 1802 N THR A 121 -2.662 -17.504 12.179 1.00 0.00 N ATOM 1803 CA THR A 121 -3.257 -18.291 11.107 1.00 0.00 C ATOM 1804 C THR A 121 -3.658 -19.677 11.600 1.00 0.00 C ATOM 1805 O THR A 121 -2.948 -20.315 12.377 1.00 0.00 O ATOM 1806 CB THR A 121 -2.290 -18.442 9.917 1.00 0.00 C ATOM 1807 OG1 THR A 121 -0.987 -18.802 10.388 1.00 0.00 O ATOM 1808 CG2 THR A 121 -2.208 -17.149 9.120 1.00 0.00 C ATOM 0 H THR A 121 -1.643 -17.458 12.153 1.00 0.00 H new ATOM 0 HA THR A 121 -4.146 -17.754 10.777 1.00 0.00 H new ATOM 0 HB THR A 121 -2.670 -19.229 9.265 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.379 -18.898 9.626 1.00 0.00 H new ATOM 0 HG21 THR A 121 -1.520 -17.279 8.285 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.197 -16.893 8.739 1.00 0.00 H new ATOM 0 HG23 THR A 121 -1.849 -16.347 9.764 1.00 0.00 H new ATOM 1816 N PRO A 122 -4.823 -20.155 11.138 1.00 0.00 N ATOM 1817 CA PRO A 122 -5.344 -21.472 11.518 1.00 0.00 C ATOM 1818 C PRO A 122 -4.526 -22.613 10.923 1.00 0.00 C ATOM 1819 O PRO A 122 -4.561 -22.849 9.716 1.00 0.00 O ATOM 1820 CB PRO A 122 -6.762 -21.472 10.942 1.00 0.00 C ATOM 1821 CG PRO A 122 -6.709 -20.508 9.807 1.00 0.00 C ATOM 1822 CD PRO A 122 -5.720 -19.449 10.209 1.00 0.00 C ATOM 0 HA PRO A 122 -5.308 -21.629 12.596 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -7.052 -22.467 10.604 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -7.493 -21.164 11.689 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -6.397 -21.004 8.888 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -7.691 -20.074 9.618 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.179 -19.057 9.348 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -6.211 -18.603 10.689 1.00 0.00 H new ATOM 1830 N GLU A 123 -3.793 -23.318 11.779 1.00 0.00 N ATOM 1831 CA GLU A 123 -2.966 -24.435 11.335 1.00 0.00 C ATOM 1832 C GLU A 123 -3.650 -25.204 10.209 1.00 0.00 C ATOM 1833 O GLU A 123 -3.005 -25.628 9.251 1.00 0.00 O ATOM 1834 CB GLU A 123 -2.671 -25.376 12.505 1.00 0.00 C ATOM 1835 CG GLU A 123 -1.544 -24.895 13.404 1.00 0.00 C ATOM 1836 CD GLU A 123 -0.177 -25.308 12.896 1.00 0.00 C ATOM 1837 OE1 GLU A 123 -0.115 -26.055 11.897 1.00 0.00 O ATOM 1838 OE2 GLU A 123 0.832 -24.884 13.497 1.00 0.00 O ATOM 0 H GLU A 123 -3.755 -23.136 12.782 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.027 -24.031 10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -3.575 -25.494 13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -2.417 -26.361 12.113 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -1.585 -23.809 13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -1.690 -25.293 14.408 1.00 0.00 H new ATOM 1845 N ASN A 124 -4.962 -25.382 10.333 1.00 0.00 N ATOM 1846 CA ASN A 124 -5.734 -26.101 9.327 1.00 0.00 C ATOM 1847 C ASN A 124 -6.512 -25.132 8.442 1.00 0.00 C ATOM 1848 O ASN A 124 -7.206 -25.544 7.513 1.00 0.00 O ATOM 1849 CB ASN A 124 -6.697 -27.082 9.998 1.00 0.00 C ATOM 1850 CG ASN A 124 -7.157 -28.177 9.056 1.00 0.00 C ATOM 1851 OD1 ASN A 124 -6.394 -28.645 8.210 1.00 0.00 O ATOM 1852 ND2 ASN A 124 -8.411 -28.592 9.198 1.00 0.00 N ATOM 0 H ASN A 124 -5.512 -25.038 11.120 1.00 0.00 H new ATOM 0 HA ASN A 124 -5.037 -26.657 8.700 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -6.209 -27.532 10.863 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -7.565 -26.538 10.369 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -8.777 -29.327 8.592 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -9.008 -28.176 9.913 1.00 0.00 H new TER 1859 ASN A 124