USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= -1.2 K(o=-1.1,f=-2.3) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.0977 USER MOD Set 1.3: A 98 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 SER OG : rot -96:sc= -1.62! USER MOD Set 2.2: A 82 HIS : no HD1:sc= -2.19! C(o=-3.8!,f=-8.9!) USER MOD Set 3.1: A 56 SER OG : rot 180:sc= 0.081 USER MOD Set 3.2: A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 46 LYS NZ :NH3+ -110:sc= 1.22 (180deg=0) USER MOD Set 4.2: A 48 TYR OH : rot 180:sc= 1.04 USER MOD Set 5.1: A 33 TYR OH : rot -114:sc= 0.927 USER MOD Set 5.2: A 47 SER OG : rot -87:sc= 0.234 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -3.27! K(o=-3.3!,f=-1.1) USER MOD Single : A 19 GLN : amide:sc= -0.0623 K(o=-0.062,f=1.2) USER MOD Single : A 29 SER OG : rot 68:sc= 0.0907 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.55 K(o=-1.5,f=-2.8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -7.36! C(o=-7.4!,f=-6.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 62:sc= 0.199 USER MOD Single : A 60 ASN : amide:sc= -0.0439 X(o=-0.044,f=0) USER MOD Single : A 68 SER OG : rot 60:sc= -0.744 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.58) USER MOD Single : A 76 SER OG : rot 58:sc= 1.18 USER MOD Single : A 78 SER OG : rot 180:sc= 0.00198 USER MOD Single : A 79 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.12) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -30:sc= -2.13 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 70:sc= 1.84 USER MOD Single : A 97 TYR OH : rot -123:sc= -2.43 USER MOD Single : A 100 ASN : amide:sc= -2.76! C(o=-2.8!,f=-1.9!) USER MOD Single : A 101 SER OG : rot -30:sc= 0.0877 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 99:sc= 1.06 USER MOD Single : A 108 ASN : amide:sc= -0.883 K(o=-0.88,f=-3!) USER MOD Single : A 109 SER OG : rot 150:sc= -5.97! USER MOD Single : A 114 SER OG : rot 180:sc= -0.524 USER MOD Single : A 119 SER OG : rot -160:sc= -1.03 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 125 GLN : amide:sc= -0.404 K(o=-0.4,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 -34.003 -3.410 -0.725 1.00 0.00 N ATOM 2 CA ARG A 7 -33.322 -4.568 -0.159 1.00 0.00 C ATOM 3 C ARG A 7 -31.839 -4.279 0.040 1.00 0.00 C ATOM 4 O ARG A 7 -31.194 -3.688 -0.826 1.00 0.00 O ATOM 5 CB ARG A 7 -33.498 -5.784 -1.070 1.00 0.00 C ATOM 6 CG ARG A 7 -34.925 -6.307 -1.117 1.00 0.00 C ATOM 7 CD ARG A 7 -35.702 -5.705 -2.277 1.00 0.00 C ATOM 8 NE ARG A 7 -37.141 -5.704 -2.029 1.00 0.00 N ATOM 9 CZ ARG A 7 -37.899 -6.794 -2.096 1.00 0.00 C ATOM 10 NH1 ARG A 7 -37.356 -7.964 -2.403 1.00 0.00 N ATOM 11 NH2 ARG A 7 -39.201 -6.714 -1.856 1.00 0.00 N ATOM 0 HA ARG A 7 -33.767 -4.783 0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -33.183 -5.520 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -32.838 -6.582 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -34.913 -7.393 -1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -35.430 -6.074 -0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -35.363 -4.683 -2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -35.491 -6.268 -3.186 1.00 0.00 H new ATOM 0 HE ARG A 7 -37.589 -4.819 -1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -36.355 -8.029 -2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -37.939 -8.799 -2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -39.622 -5.815 -1.620 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -39.782 -7.551 -1.908 1.00 0.00 H new ATOM 25 N ARG A 8 -31.310 -4.673 1.198 1.00 0.00 N ATOM 26 CA ARG A 8 -29.902 -4.477 1.516 1.00 0.00 C ATOM 27 C ARG A 8 -29.406 -3.105 1.066 1.00 0.00 C ATOM 28 O ARG A 8 -30.198 -2.198 0.811 1.00 0.00 O ATOM 29 CB ARG A 8 -29.066 -5.575 0.864 1.00 0.00 C ATOM 30 CG ARG A 8 -29.771 -6.921 0.783 1.00 0.00 C ATOM 31 CD ARG A 8 -28.797 -8.074 0.961 1.00 0.00 C ATOM 32 NE ARG A 8 -29.373 -9.157 1.751 1.00 0.00 N ATOM 33 CZ ARG A 8 -28.693 -10.233 2.132 1.00 0.00 C ATOM 34 NH1 ARG A 8 -29.287 -11.176 2.850 1.00 0.00 N ATOM 35 NH2 ARG A 8 -27.418 -10.367 1.794 1.00 0.00 N ATOM 0 H ARG A 8 -31.844 -5.134 1.935 1.00 0.00 H new ATOM 0 HA ARG A 8 -29.794 -4.529 2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -28.790 -5.259 -0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -28.139 -5.694 1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -30.543 -6.975 1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -30.272 -7.013 -0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -28.503 -8.455 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -27.891 -7.712 1.447 1.00 0.00 H new ATOM 0 HE ARG A 8 -30.352 -9.084 2.026 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -30.268 -11.076 3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -28.763 -12.001 3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -26.958 -9.644 1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -26.897 -11.193 2.087 1.00 0.00 H new ATOM 49 N CYS A 9 -28.091 -2.966 0.969 1.00 0.00 N ATOM 50 CA CYS A 9 -27.481 -1.718 0.542 1.00 0.00 C ATOM 51 C CYS A 9 -27.236 -1.726 -0.961 1.00 0.00 C ATOM 52 O CYS A 9 -27.261 -2.781 -1.595 1.00 0.00 O ATOM 53 CB CYS A 9 -26.168 -1.500 1.285 1.00 0.00 C ATOM 54 SG CYS A 9 -26.351 -0.646 2.884 1.00 0.00 S ATOM 0 H CYS A 9 -27.424 -3.708 1.182 1.00 0.00 H new ATOM 0 HA CYS A 9 -28.164 -0.901 0.775 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -25.694 -2.467 1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.496 -0.922 0.651 1.00 0.00 H new ATOM 59 N PRO A 10 -27.010 -0.546 -1.557 1.00 0.00 N ATOM 60 CA PRO A 10 -26.748 -0.435 -2.990 1.00 0.00 C ATOM 61 C PRO A 10 -25.412 -1.060 -3.360 1.00 0.00 C ATOM 62 O PRO A 10 -24.623 -1.416 -2.486 1.00 0.00 O ATOM 63 CB PRO A 10 -26.736 1.072 -3.243 1.00 0.00 C ATOM 64 CG PRO A 10 -26.374 1.670 -1.931 1.00 0.00 C ATOM 65 CD PRO A 10 -26.950 0.760 -0.880 1.00 0.00 C ATOM 0 HA PRO A 10 -27.491 -0.959 -3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -26.012 1.339 -4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -27.709 1.424 -3.584 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -25.292 1.750 -1.825 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -26.779 2.678 -1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -26.320 0.723 0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -27.937 1.092 -0.558 1.00 0.00 H new ATOM 73 N SER A 11 -25.166 -1.203 -4.654 1.00 0.00 N ATOM 74 CA SER A 11 -23.927 -1.805 -5.129 1.00 0.00 C ATOM 75 C SER A 11 -22.714 -1.179 -4.444 1.00 0.00 C ATOM 76 O SER A 11 -22.330 -0.053 -4.757 1.00 0.00 O ATOM 77 CB SER A 11 -23.808 -1.645 -6.646 1.00 0.00 C ATOM 78 OG SER A 11 -23.921 -2.896 -7.302 1.00 0.00 O ATOM 0 H SER A 11 -25.806 -0.911 -5.393 1.00 0.00 H new ATOM 0 HA SER A 11 -23.952 -2.866 -4.881 1.00 0.00 H new ATOM 0 HB2 SER A 11 -24.585 -0.971 -7.006 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.850 -1.187 -6.892 1.00 0.00 H new ATOM 0 HG SER A 11 -23.843 -2.766 -8.270 1.00 0.00 H new ATOM 84 N PRO A 12 -22.094 -1.902 -3.490 1.00 0.00 N ATOM 85 CA PRO A 12 -20.924 -1.412 -2.765 1.00 0.00 C ATOM 86 C PRO A 12 -19.966 -0.627 -3.654 1.00 0.00 C ATOM 87 O PRO A 12 -19.809 -0.932 -4.836 1.00 0.00 O ATOM 88 CB PRO A 12 -20.260 -2.693 -2.281 1.00 0.00 C ATOM 89 CG PRO A 12 -21.371 -3.675 -2.113 1.00 0.00 C ATOM 90 CD PRO A 12 -22.481 -3.255 -3.048 1.00 0.00 C ATOM 0 HA PRO A 12 -21.200 -0.720 -1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.525 -3.051 -3.002 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.733 -2.531 -1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -21.032 -4.684 -2.347 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -21.721 -3.688 -1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -22.570 -3.939 -3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -23.446 -3.247 -2.541 1.00 0.00 H new ATOM 98 N ARG A 13 -19.322 0.378 -3.074 1.00 0.00 N ATOM 99 CA ARG A 13 -18.370 1.194 -3.804 1.00 0.00 C ATOM 100 C ARG A 13 -17.156 0.374 -4.201 1.00 0.00 C ATOM 101 O ARG A 13 -16.816 -0.615 -3.551 1.00 0.00 O ATOM 102 CB ARG A 13 -17.943 2.390 -2.953 1.00 0.00 C ATOM 103 CG ARG A 13 -18.339 3.725 -3.553 1.00 0.00 C ATOM 104 CD ARG A 13 -17.295 4.217 -4.535 1.00 0.00 C ATOM 105 NE ARG A 13 -17.785 5.326 -5.350 1.00 0.00 N ATOM 106 CZ ARG A 13 -17.007 6.054 -6.145 1.00 0.00 C ATOM 107 NH1 ARG A 13 -15.710 5.793 -6.227 1.00 0.00 N ATOM 108 NH2 ARG A 13 -17.526 7.045 -6.856 1.00 0.00 N ATOM 0 H ARG A 13 -19.445 0.645 -2.097 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.851 1.558 -4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -18.387 2.299 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.861 2.365 -2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -19.300 3.629 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -18.469 4.459 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -16.406 4.534 -3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -16.994 3.395 -5.185 1.00 0.00 H new ATOM 0 HE ARG A 13 -18.778 5.554 -5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.307 5.032 -5.680 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.115 6.353 -6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -18.523 7.250 -6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.928 7.603 -7.466 1.00 0.00 H new ATOM 122 N ASP A 14 -16.515 0.784 -5.282 1.00 0.00 N ATOM 123 CA ASP A 14 -15.354 0.079 -5.793 1.00 0.00 C ATOM 124 C ASP A 14 -14.065 0.787 -5.399 1.00 0.00 C ATOM 125 O ASP A 14 -14.071 1.685 -4.558 1.00 0.00 O ATOM 126 CB ASP A 14 -15.452 -0.032 -7.311 1.00 0.00 C ATOM 127 CG ASP A 14 -15.244 -1.449 -7.805 1.00 0.00 C ATOM 128 OD1 ASP A 14 -16.236 -2.204 -7.879 1.00 0.00 O ATOM 129 OD2 ASP A 14 -14.088 -1.806 -8.118 1.00 0.00 O ATOM 0 H ASP A 14 -16.781 1.606 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.334 -0.919 -5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.431 0.322 -7.635 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.709 0.621 -7.768 1.00 0.00 H new ATOM 134 N ILE A 15 -12.960 0.379 -6.011 1.00 0.00 N ATOM 135 CA ILE A 15 -11.664 0.970 -5.708 1.00 0.00 C ATOM 136 C ILE A 15 -10.610 0.560 -6.727 1.00 0.00 C ATOM 137 O ILE A 15 -10.603 -0.573 -7.208 1.00 0.00 O ATOM 138 CB ILE A 15 -11.177 0.555 -4.311 1.00 0.00 C ATOM 139 CG1 ILE A 15 -9.871 1.275 -3.978 1.00 0.00 C ATOM 140 CG2 ILE A 15 -10.991 -0.952 -4.240 1.00 0.00 C ATOM 141 CD1 ILE A 15 -9.496 1.198 -2.518 1.00 0.00 C ATOM 0 H ILE A 15 -12.936 -0.356 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.800 2.051 -5.744 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.930 0.840 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.066 0.845 -4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.959 2.322 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.646 -1.229 -3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.941 -1.446 -4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.253 -1.263 -4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.559 1.730 -2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.282 1.654 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.376 0.154 -2.228 1.00 0.00 H new ATOM 153 N ASP A 16 -9.702 1.480 -7.032 1.00 0.00 N ATOM 154 CA ASP A 16 -8.612 1.195 -7.952 1.00 0.00 C ATOM 155 C ASP A 16 -7.381 0.758 -7.171 1.00 0.00 C ATOM 156 O ASP A 16 -7.284 0.996 -5.967 1.00 0.00 O ATOM 157 CB ASP A 16 -8.276 2.418 -8.807 1.00 0.00 C ATOM 158 CG ASP A 16 -9.488 3.279 -9.110 1.00 0.00 C ATOM 159 OD1 ASP A 16 -10.542 2.714 -9.471 1.00 0.00 O ATOM 160 OD2 ASP A 16 -9.382 4.517 -8.986 1.00 0.00 O ATOM 0 H ASP A 16 -9.701 2.428 -6.655 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.929 0.392 -8.617 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.528 3.021 -8.291 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.828 2.088 -9.744 1.00 0.00 H new ATOM 165 N ASN A 17 -6.456 0.092 -7.849 1.00 0.00 N ATOM 166 CA ASN A 17 -5.238 -0.397 -7.204 1.00 0.00 C ATOM 167 C ASN A 17 -5.573 -1.127 -5.903 1.00 0.00 C ATOM 168 O ASN A 17 -4.758 -1.184 -4.983 1.00 0.00 O ATOM 169 CB ASN A 17 -4.270 0.758 -6.912 1.00 0.00 C ATOM 170 CG ASN A 17 -4.396 1.902 -7.900 1.00 0.00 C ATOM 171 OD1 ASN A 17 -3.652 1.981 -8.877 1.00 0.00 O ATOM 172 ND2 ASN A 17 -5.348 2.793 -7.650 1.00 0.00 N ATOM 0 H ASN A 17 -6.523 -0.123 -8.844 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.756 -1.094 -7.890 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.454 1.133 -5.905 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.247 0.381 -6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.486 3.583 -8.281 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.942 2.688 -6.827 1.00 0.00 H new ATOM 179 N GLY A 18 -6.791 -1.659 -5.828 1.00 0.00 N ATOM 180 CA GLY A 18 -7.222 -2.365 -4.637 1.00 0.00 C ATOM 181 C GLY A 18 -8.376 -3.309 -4.905 1.00 0.00 C ATOM 182 O GLY A 18 -8.781 -3.493 -6.053 1.00 0.00 O ATOM 0 H GLY A 18 -7.486 -1.613 -6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.383 -2.929 -4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.518 -1.642 -3.877 1.00 0.00 H new ATOM 186 N GLN A 19 -8.914 -3.902 -3.843 1.00 0.00 N ATOM 187 CA GLN A 19 -9.993 -4.865 -3.976 1.00 0.00 C ATOM 188 C GLN A 19 -11.131 -4.575 -3.009 1.00 0.00 C ATOM 189 O GLN A 19 -11.140 -3.556 -2.319 1.00 0.00 O ATOM 190 CB GLN A 19 -9.467 -6.272 -3.728 1.00 0.00 C ATOM 191 CG GLN A 19 -8.094 -6.485 -4.316 1.00 0.00 C ATOM 192 CD GLN A 19 -7.428 -7.754 -3.821 1.00 0.00 C ATOM 193 OE1 GLN A 19 -6.270 -7.739 -3.403 1.00 0.00 O ATOM 194 NE2 GLN A 19 -8.161 -8.861 -3.862 1.00 0.00 N ATOM 0 H GLN A 19 -8.618 -3.730 -2.882 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.381 -4.785 -4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.433 -6.460 -2.655 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.159 -6.997 -4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.172 -6.522 -5.403 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.463 -5.631 -4.071 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.117 -8.827 -4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.768 -9.745 -3.539 1.00 0.00 H new ATOM 203 N LEU A 20 -12.075 -5.504 -2.952 1.00 0.00 N ATOM 204 CA LEU A 20 -13.216 -5.397 -2.057 1.00 0.00 C ATOM 205 C LEU A 20 -13.546 -6.756 -1.449 1.00 0.00 C ATOM 206 O LEU A 20 -13.482 -7.782 -2.127 1.00 0.00 O ATOM 207 CB LEU A 20 -14.426 -4.849 -2.796 1.00 0.00 C ATOM 208 CG LEU A 20 -14.112 -3.742 -3.795 1.00 0.00 C ATOM 209 CD1 LEU A 20 -15.102 -3.782 -4.934 1.00 0.00 C ATOM 210 CD2 LEU A 20 -14.125 -2.384 -3.112 1.00 0.00 C ATOM 0 H LEU A 20 -12.071 -6.349 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.956 -4.707 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.915 -5.668 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.140 -4.469 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.112 -3.903 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.872 -2.988 -5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.040 -4.747 -5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.110 -3.640 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.899 -1.607 -3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.110 -2.202 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.376 -2.368 -2.321 1.00 0.00 H new ATOM 222 N ASP A 21 -13.876 -6.759 -0.167 1.00 0.00 N ATOM 223 CA ASP A 21 -14.233 -7.991 0.531 1.00 0.00 C ATOM 224 C ASP A 21 -15.665 -7.903 1.034 1.00 0.00 C ATOM 225 O ASP A 21 -15.907 -7.691 2.222 1.00 0.00 O ATOM 226 CB ASP A 21 -13.278 -8.243 1.699 1.00 0.00 C ATOM 227 CG ASP A 21 -12.807 -9.683 1.763 1.00 0.00 C ATOM 228 OD1 ASP A 21 -13.239 -10.410 2.682 1.00 0.00 O ATOM 229 OD2 ASP A 21 -12.005 -10.084 0.893 1.00 0.00 O ATOM 0 H ASP A 21 -13.905 -5.922 0.415 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.150 -8.825 -0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.414 -7.585 1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.776 -7.985 2.634 1.00 0.00 H new ATOM 234 N ILE A 22 -16.610 -8.009 0.109 1.00 0.00 N ATOM 235 CA ILE A 22 -18.023 -7.858 0.436 1.00 0.00 C ATOM 236 C ILE A 22 -18.621 -9.146 0.983 1.00 0.00 C ATOM 237 O ILE A 22 -19.085 -9.999 0.226 1.00 0.00 O ATOM 238 CB ILE A 22 -18.849 -7.394 -0.780 1.00 0.00 C ATOM 239 CG1 ILE A 22 -17.979 -6.492 -1.684 1.00 0.00 C ATOM 240 CG2 ILE A 22 -20.122 -6.694 -0.302 1.00 0.00 C ATOM 241 CD1 ILE A 22 -18.687 -5.315 -2.323 1.00 0.00 C ATOM 0 H ILE A 22 -16.424 -8.199 -0.876 1.00 0.00 H new ATOM 0 HA ILE A 22 -18.071 -7.091 1.209 1.00 0.00 H new ATOM 0 HB ILE A 22 -19.158 -8.251 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.146 -6.112 -1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.552 -7.108 -2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -20.703 -6.367 -1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -20.716 -7.386 0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -19.855 -5.829 0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -17.980 -4.753 -2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -19.501 -5.677 -2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.089 -4.666 -1.545 1.00 0.00 H new ATOM 253 N GLY A 23 -18.635 -9.263 2.305 1.00 0.00 N ATOM 254 CA GLY A 23 -19.230 -10.421 2.938 1.00 0.00 C ATOM 255 C GLY A 23 -20.720 -10.239 3.175 1.00 0.00 C ATOM 256 O GLY A 23 -21.338 -11.021 3.897 1.00 0.00 O ATOM 0 H GLY A 23 -18.244 -8.575 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -19.067 -11.299 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -18.732 -10.610 3.889 1.00 0.00 H new ATOM 260 N GLY A 24 -21.297 -9.202 2.567 1.00 0.00 N ATOM 261 CA GLY A 24 -22.713 -8.937 2.732 1.00 0.00 C ATOM 262 C GLY A 24 -23.056 -7.484 2.469 1.00 0.00 C ATOM 263 O GLY A 24 -22.245 -6.595 2.722 1.00 0.00 O ATOM 0 H GLY A 24 -20.806 -8.542 1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -23.282 -9.572 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -23.015 -9.203 3.745 1.00 0.00 H new ATOM 267 N VAL A 25 -24.257 -7.242 1.955 1.00 0.00 N ATOM 268 CA VAL A 25 -24.699 -5.886 1.645 1.00 0.00 C ATOM 269 C VAL A 25 -25.963 -5.498 2.418 1.00 0.00 C ATOM 270 O VAL A 25 -26.455 -4.378 2.282 1.00 0.00 O ATOM 271 CB VAL A 25 -24.969 -5.719 0.138 1.00 0.00 C ATOM 272 CG1 VAL A 25 -23.678 -5.858 -0.655 1.00 0.00 C ATOM 273 CG2 VAL A 25 -26.004 -6.728 -0.335 1.00 0.00 C ATOM 0 H VAL A 25 -24.943 -7.967 1.744 1.00 0.00 H new ATOM 0 HA VAL A 25 -23.887 -5.226 1.949 1.00 0.00 H new ATOM 0 HB VAL A 25 -25.367 -4.718 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -23.889 -5.737 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -22.971 -5.092 -0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -23.248 -6.844 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -26.181 -6.594 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -25.638 -7.738 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -26.936 -6.576 0.210 1.00 0.00 H new ATOM 283 N ASP A 26 -26.489 -6.418 3.226 1.00 0.00 N ATOM 284 CA ASP A 26 -27.705 -6.149 3.996 1.00 0.00 C ATOM 285 C ASP A 26 -27.445 -5.132 5.100 1.00 0.00 C ATOM 286 O ASP A 26 -26.322 -4.999 5.586 1.00 0.00 O ATOM 287 CB ASP A 26 -28.261 -7.440 4.600 1.00 0.00 C ATOM 288 CG ASP A 26 -27.178 -8.337 5.169 1.00 0.00 C ATOM 289 OD1 ASP A 26 -26.790 -8.131 6.338 1.00 0.00 O ATOM 290 OD2 ASP A 26 -26.721 -9.246 4.446 1.00 0.00 O ATOM 0 H ASP A 26 -26.097 -7.349 3.365 1.00 0.00 H new ATOM 0 HA ASP A 26 -28.442 -5.733 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -28.971 -7.190 5.388 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -28.813 -7.985 3.835 1.00 0.00 H new ATOM 295 N PHE A 27 -28.497 -4.417 5.494 1.00 0.00 N ATOM 296 CA PHE A 27 -28.386 -3.407 6.540 1.00 0.00 C ATOM 297 C PHE A 27 -27.673 -3.968 7.761 1.00 0.00 C ATOM 298 O PHE A 27 -28.203 -4.827 8.467 1.00 0.00 O ATOM 299 CB PHE A 27 -29.766 -2.882 6.932 1.00 0.00 C ATOM 300 CG PHE A 27 -29.928 -1.412 6.682 1.00 0.00 C ATOM 301 CD1 PHE A 27 -30.864 -0.950 5.771 1.00 0.00 C ATOM 302 CD2 PHE A 27 -29.128 -0.492 7.343 1.00 0.00 C ATOM 303 CE1 PHE A 27 -31.008 0.403 5.533 1.00 0.00 C ATOM 304 CE2 PHE A 27 -29.268 0.863 7.109 1.00 0.00 C ATOM 305 CZ PHE A 27 -30.210 1.309 6.201 1.00 0.00 C ATOM 0 H PHE A 27 -29.434 -4.519 5.104 1.00 0.00 H new ATOM 0 HA PHE A 27 -27.797 -2.579 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -30.527 -3.426 6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -29.939 -3.086 7.989 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -31.488 -1.655 5.241 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -28.387 -0.838 8.049 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -31.745 0.752 4.824 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -28.644 1.571 7.634 1.00 0.00 H new ATOM 0 HZ PHE A 27 -30.321 2.367 6.014 1.00 0.00 H new ATOM 315 N GLY A 28 -26.462 -3.485 7.993 1.00 0.00 N ATOM 316 CA GLY A 28 -25.675 -3.963 9.108 1.00 0.00 C ATOM 317 C GLY A 28 -24.434 -4.714 8.661 1.00 0.00 C ATOM 318 O GLY A 28 -23.576 -5.042 9.481 1.00 0.00 O ATOM 0 H GLY A 28 -26.010 -2.768 7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -25.380 -3.118 9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -26.288 -4.617 9.728 1.00 0.00 H new ATOM 322 N SER A 29 -24.335 -4.994 7.360 1.00 0.00 N ATOM 323 CA SER A 29 -23.181 -5.707 6.828 1.00 0.00 C ATOM 324 C SER A 29 -21.949 -4.809 6.812 1.00 0.00 C ATOM 325 O SER A 29 -22.019 -3.639 7.189 1.00 0.00 O ATOM 326 CB SER A 29 -23.476 -6.212 5.417 1.00 0.00 C ATOM 327 OG SER A 29 -23.863 -7.575 5.432 1.00 0.00 O ATOM 0 H SER A 29 -25.035 -4.739 6.664 1.00 0.00 H new ATOM 0 HA SER A 29 -22.979 -6.559 7.477 1.00 0.00 H new ATOM 0 HB2 SER A 29 -24.268 -5.611 4.971 1.00 0.00 H new ATOM 0 HB3 SER A 29 -22.592 -6.089 4.791 1.00 0.00 H new ATOM 0 HG SER A 29 -24.739 -7.662 5.864 1.00 0.00 H new ATOM 333 N SER A 30 -20.822 -5.360 6.376 1.00 0.00 N ATOM 334 CA SER A 30 -19.579 -4.601 6.317 1.00 0.00 C ATOM 335 C SER A 30 -18.641 -5.159 5.250 1.00 0.00 C ATOM 336 O SER A 30 -18.503 -6.374 5.106 1.00 0.00 O ATOM 337 CB SER A 30 -18.884 -4.617 7.678 1.00 0.00 C ATOM 338 OG SER A 30 -18.844 -5.927 8.216 1.00 0.00 O ATOM 0 H SER A 30 -20.744 -6.326 6.059 1.00 0.00 H new ATOM 0 HA SER A 30 -19.827 -3.573 6.051 1.00 0.00 H new ATOM 0 HB2 SER A 30 -17.870 -4.231 7.576 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.409 -3.954 8.366 1.00 0.00 H new ATOM 0 HG SER A 30 -18.393 -5.910 9.086 1.00 0.00 H new ATOM 344 N ILE A 31 -17.991 -4.264 4.509 1.00 0.00 N ATOM 345 CA ILE A 31 -17.048 -4.672 3.467 1.00 0.00 C ATOM 346 C ILE A 31 -15.611 -4.493 3.944 1.00 0.00 C ATOM 347 O ILE A 31 -15.357 -3.810 4.936 1.00 0.00 O ATOM 348 CB ILE A 31 -17.222 -3.879 2.145 1.00 0.00 C ATOM 349 CG1 ILE A 31 -18.541 -3.116 2.100 1.00 0.00 C ATOM 350 CG2 ILE A 31 -17.144 -4.814 0.957 1.00 0.00 C ATOM 351 CD1 ILE A 31 -18.712 -2.311 0.833 1.00 0.00 C ATOM 0 H ILE A 31 -18.099 -3.255 4.609 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.263 -5.722 3.267 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.411 -3.152 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.367 -3.822 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -18.598 -2.448 2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -17.268 -4.244 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -16.174 -5.311 0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.934 -5.561 1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -19.669 -1.790 0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.905 -1.583 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.685 -2.978 -0.028 1.00 0.00 H new ATOM 363 N THR A 32 -14.672 -5.092 3.219 1.00 0.00 N ATOM 364 CA THR A 32 -13.258 -4.972 3.552 1.00 0.00 C ATOM 365 C THR A 32 -12.448 -4.582 2.322 1.00 0.00 C ATOM 366 O THR A 32 -12.301 -5.367 1.386 1.00 0.00 O ATOM 367 CB THR A 32 -12.727 -6.282 4.138 1.00 0.00 C ATOM 368 OG1 THR A 32 -13.792 -7.089 4.608 1.00 0.00 O ATOM 369 CG2 THR A 32 -11.765 -6.073 5.287 1.00 0.00 C ATOM 0 H THR A 32 -14.865 -5.665 2.398 1.00 0.00 H new ATOM 0 HA THR A 32 -13.153 -4.188 4.302 1.00 0.00 H new ATOM 0 HB THR A 32 -12.194 -6.771 3.323 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.433 -7.923 4.977 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.425 -7.040 5.658 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.908 -5.495 4.943 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.268 -5.533 6.089 1.00 0.00 H new ATOM 377 N TYR A 33 -11.938 -3.355 2.326 1.00 0.00 N ATOM 378 CA TYR A 33 -11.160 -2.847 1.204 1.00 0.00 C ATOM 379 C TYR A 33 -9.708 -3.294 1.296 1.00 0.00 C ATOM 380 O TYR A 33 -9.163 -3.444 2.390 1.00 0.00 O ATOM 381 CB TYR A 33 -11.242 -1.323 1.163 1.00 0.00 C ATOM 382 CG TYR A 33 -12.534 -0.821 0.574 1.00 0.00 C ATOM 383 CD1 TYR A 33 -13.735 -0.983 1.249 1.00 0.00 C ATOM 384 CD2 TYR A 33 -12.553 -0.212 -0.671 1.00 0.00 C ATOM 385 CE1 TYR A 33 -14.923 -0.534 0.703 1.00 0.00 C ATOM 386 CE2 TYR A 33 -13.737 0.235 -1.228 1.00 0.00 C ATOM 387 CZ TYR A 33 -14.919 0.070 -0.538 1.00 0.00 C ATOM 388 OH TYR A 33 -16.099 0.525 -1.081 1.00 0.00 O ATOM 0 H TYR A 33 -12.050 -2.694 3.095 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.579 -3.254 0.284 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.133 -0.931 2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.407 -0.935 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.742 -1.467 2.215 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.628 -0.085 -1.215 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -15.849 -0.655 1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.736 0.710 -2.198 1.00 0.00 H new ATOM 0 HH TYR A 33 -16.311 0.006 -1.885 1.00 0.00 H new ATOM 398 N SER A 34 -9.084 -3.515 0.142 1.00 0.00 N ATOM 399 CA SER A 34 -7.696 -3.959 0.109 1.00 0.00 C ATOM 400 C SER A 34 -6.966 -3.414 -1.113 1.00 0.00 C ATOM 401 O SER A 34 -7.575 -2.814 -1.998 1.00 0.00 O ATOM 402 CB SER A 34 -7.631 -5.487 0.113 1.00 0.00 C ATOM 403 OG SER A 34 -7.240 -5.978 1.384 1.00 0.00 O ATOM 0 H SER A 34 -9.514 -3.395 -0.775 1.00 0.00 H new ATOM 0 HA SER A 34 -7.202 -3.572 1.000 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.605 -5.896 -0.154 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.924 -5.826 -0.644 1.00 0.00 H new ATOM 0 HG SER A 34 -7.208 -6.957 1.361 1.00 0.00 H new ATOM 409 N CYS A 35 -5.654 -3.628 -1.152 1.00 0.00 N ATOM 410 CA CYS A 35 -4.837 -3.173 -2.265 1.00 0.00 C ATOM 411 C CYS A 35 -4.634 -4.299 -3.274 1.00 0.00 C ATOM 412 O CYS A 35 -4.756 -5.476 -2.936 1.00 0.00 O ATOM 413 CB CYS A 35 -3.488 -2.669 -1.753 1.00 0.00 C ATOM 414 SG CYS A 35 -3.463 -0.890 -1.363 1.00 0.00 S ATOM 0 H CYS A 35 -5.135 -4.116 -0.421 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.353 -2.353 -2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.217 -3.231 -0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.725 -2.877 -2.503 1.00 0.00 H new ATOM 419 N ASN A 36 -4.342 -3.933 -4.517 1.00 0.00 N ATOM 420 CA ASN A 36 -4.145 -4.918 -5.576 1.00 0.00 C ATOM 421 C ASN A 36 -3.057 -5.921 -5.200 1.00 0.00 C ATOM 422 O ASN A 36 -3.347 -6.999 -4.680 1.00 0.00 O ATOM 423 CB ASN A 36 -3.787 -4.223 -6.890 1.00 0.00 C ATOM 424 CG ASN A 36 -4.951 -4.186 -7.861 1.00 0.00 C ATOM 425 OD1 ASN A 36 -5.886 -4.981 -7.759 1.00 0.00 O ATOM 426 ND2 ASN A 36 -4.899 -3.260 -8.811 1.00 0.00 N ATOM 0 H ASN A 36 -4.236 -2.964 -4.817 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.080 -5.462 -5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.459 -3.205 -6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.947 -4.740 -7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.653 -3.187 -9.494 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.105 -2.622 -8.858 1.00 0.00 H new ATOM 433 N SER A 37 -1.806 -5.567 -5.478 1.00 0.00 N ATOM 434 CA SER A 37 -0.678 -6.436 -5.165 1.00 0.00 C ATOM 435 C SER A 37 0.583 -5.617 -4.927 1.00 0.00 C ATOM 436 O SER A 37 0.886 -4.690 -5.677 1.00 0.00 O ATOM 437 CB SER A 37 -0.442 -7.434 -6.299 1.00 0.00 C ATOM 438 OG SER A 37 0.486 -8.434 -5.913 1.00 0.00 O ATOM 0 H SER A 37 -1.548 -4.684 -5.919 1.00 0.00 H new ATOM 0 HA SER A 37 -0.916 -6.984 -4.254 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.387 -7.899 -6.581 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.070 -6.909 -7.179 1.00 0.00 H new ATOM 0 HG SER A 37 0.619 -9.061 -6.654 1.00 0.00 H new ATOM 444 N GLY A 38 1.317 -5.970 -3.881 1.00 0.00 N ATOM 445 CA GLY A 38 2.527 -5.244 -3.550 1.00 0.00 C ATOM 446 C GLY A 38 2.243 -3.791 -3.228 1.00 0.00 C ATOM 447 O GLY A 38 3.113 -2.932 -3.367 1.00 0.00 O ATOM 0 H GLY A 38 1.097 -6.745 -3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.012 -5.717 -2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.225 -5.301 -4.385 1.00 0.00 H new ATOM 451 N TYR A 39 1.013 -3.520 -2.806 1.00 0.00 N ATOM 452 CA TYR A 39 0.594 -2.167 -2.471 1.00 0.00 C ATOM 453 C TYR A 39 0.238 -2.061 -0.993 1.00 0.00 C ATOM 454 O TYR A 39 0.214 -3.062 -0.277 1.00 0.00 O ATOM 455 CB TYR A 39 -0.620 -1.779 -3.317 1.00 0.00 C ATOM 456 CG TYR A 39 -0.274 -1.051 -4.595 1.00 0.00 C ATOM 457 CD1 TYR A 39 0.860 -1.383 -5.325 1.00 0.00 C ATOM 458 CD2 TYR A 39 -1.091 -0.036 -5.077 1.00 0.00 C ATOM 459 CE1 TYR A 39 1.173 -0.720 -6.497 1.00 0.00 C ATOM 460 CE2 TYR A 39 -0.785 0.632 -6.246 1.00 0.00 C ATOM 461 CZ TYR A 39 0.348 0.287 -6.952 1.00 0.00 C ATOM 462 OH TYR A 39 0.655 0.950 -8.118 1.00 0.00 O ATOM 0 H TYR A 39 0.286 -4.225 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 39 1.421 -1.489 -2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.180 -2.681 -3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.279 -1.149 -2.720 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.508 -2.172 -4.971 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.981 0.235 -4.528 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.059 -0.989 -7.053 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.430 1.420 -6.605 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.028 1.629 -8.298 1.00 0.00 H new ATOM 472 N HIS A 40 -0.055 -0.845 -0.544 1.00 0.00 N ATOM 473 CA HIS A 40 -0.448 -0.617 0.840 1.00 0.00 C ATOM 474 C HIS A 40 -1.623 0.351 0.908 1.00 0.00 C ATOM 475 O HIS A 40 -1.520 1.504 0.491 1.00 0.00 O ATOM 476 CB HIS A 40 0.731 -0.090 1.664 1.00 0.00 C ATOM 477 CG HIS A 40 1.087 1.336 1.377 1.00 0.00 C ATOM 478 ND1 HIS A 40 1.337 2.263 2.367 1.00 0.00 N ATOM 479 CD2 HIS A 40 1.251 1.988 0.204 1.00 0.00 C ATOM 480 CE1 HIS A 40 1.631 3.426 1.813 1.00 0.00 C ATOM 481 NE2 HIS A 40 1.585 3.285 0.502 1.00 0.00 N ATOM 0 H HIS A 40 -0.027 -0.003 -1.119 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.759 -1.571 1.266 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.493 -0.188 2.723 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.602 -0.716 1.474 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.140 1.566 -0.784 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.868 4.337 2.343 1.00 0.00 H new ATOM 0 HE2 HIS A 40 1.768 4.021 -0.180 1.00 0.00 H new ATOM 490 N LEU A 41 -2.751 -0.143 1.401 1.00 0.00 N ATOM 491 CA LEU A 41 -3.959 0.658 1.510 1.00 0.00 C ATOM 492 C LEU A 41 -3.873 1.598 2.702 1.00 0.00 C ATOM 493 O LEU A 41 -3.637 1.166 3.831 1.00 0.00 O ATOM 494 CB LEU A 41 -5.179 -0.253 1.645 1.00 0.00 C ATOM 495 CG LEU A 41 -6.480 0.458 2.012 1.00 0.00 C ATOM 496 CD1 LEU A 41 -7.665 -0.225 1.347 1.00 0.00 C ATOM 497 CD2 LEU A 41 -6.658 0.489 3.519 1.00 0.00 C ATOM 0 H LEU A 41 -2.853 -1.102 1.733 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.061 1.258 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.325 -0.781 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.968 -1.007 2.404 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.429 1.485 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.584 0.294 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.540 -0.198 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.722 -1.261 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.589 0.999 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.690 -0.531 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.822 1.021 3.973 1.00 0.00 H new ATOM 509 N ILE A 42 -4.051 2.886 2.445 1.00 0.00 N ATOM 510 CA ILE A 42 -3.971 3.886 3.500 1.00 0.00 C ATOM 511 C ILE A 42 -5.354 4.243 4.028 1.00 0.00 C ATOM 512 O ILE A 42 -6.352 4.135 3.314 1.00 0.00 O ATOM 513 CB ILE A 42 -3.264 5.172 3.027 1.00 0.00 C ATOM 514 CG1 ILE A 42 -2.190 4.848 1.986 1.00 0.00 C ATOM 515 CG2 ILE A 42 -2.646 5.886 4.216 1.00 0.00 C ATOM 516 CD1 ILE A 42 -1.187 3.823 2.463 1.00 0.00 C ATOM 0 H ILE A 42 -4.251 3.262 1.518 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.381 3.440 4.301 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.002 5.825 2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.671 4.481 1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.664 5.765 1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.148 6.794 3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.427 6.146 4.930 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.919 5.231 4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.454 3.639 1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.680 4.197 3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.703 2.893 2.703 1.00 0.00 H new ATOM 528 N GLY A 43 -5.402 4.663 5.286 1.00 0.00 N ATOM 529 CA GLY A 43 -6.666 5.016 5.902 1.00 0.00 C ATOM 530 C GLY A 43 -7.479 3.795 6.282 1.00 0.00 C ATOM 531 O GLY A 43 -6.920 2.742 6.590 1.00 0.00 O ATOM 0 H GLY A 43 -4.587 4.765 5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.479 5.617 6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.243 5.635 5.215 1.00 0.00 H new ATOM 535 N GLU A 44 -8.800 3.930 6.258 1.00 0.00 N ATOM 536 CA GLU A 44 -9.683 2.821 6.592 1.00 0.00 C ATOM 537 C GLU A 44 -9.483 1.666 5.620 1.00 0.00 C ATOM 538 O GLU A 44 -8.692 1.765 4.685 1.00 0.00 O ATOM 539 CB GLU A 44 -11.141 3.279 6.562 1.00 0.00 C ATOM 540 CG GLU A 44 -11.457 4.204 5.399 1.00 0.00 C ATOM 541 CD GLU A 44 -11.513 5.662 5.811 1.00 0.00 C ATOM 542 OE1 GLU A 44 -10.572 6.123 6.489 1.00 0.00 O ATOM 543 OE2 GLU A 44 -12.500 6.341 5.458 1.00 0.00 O ATOM 0 H GLU A 44 -9.281 4.795 6.011 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.438 2.478 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.788 2.404 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.373 3.789 7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.701 4.078 4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.413 3.917 4.961 1.00 0.00 H new ATOM 550 N SER A 45 -10.216 0.579 5.838 1.00 0.00 N ATOM 551 CA SER A 45 -10.114 -0.600 4.996 1.00 0.00 C ATOM 552 C SER A 45 -11.417 -1.385 4.981 1.00 0.00 C ATOM 553 O SER A 45 -11.427 -2.578 4.679 1.00 0.00 O ATOM 554 CB SER A 45 -9.002 -1.497 5.517 1.00 0.00 C ATOM 555 OG SER A 45 -9.043 -1.591 6.930 1.00 0.00 O ATOM 0 H SER A 45 -10.891 0.494 6.598 1.00 0.00 H new ATOM 0 HA SER A 45 -9.896 -0.272 3.979 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.098 -2.491 5.080 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.035 -1.103 5.203 1.00 0.00 H new ATOM 0 HG SER A 45 -8.319 -2.174 7.240 1.00 0.00 H new ATOM 561 N LYS A 46 -12.511 -0.721 5.317 1.00 0.00 N ATOM 562 CA LYS A 46 -13.804 -1.381 5.372 1.00 0.00 C ATOM 563 C LYS A 46 -14.926 -0.475 4.885 1.00 0.00 C ATOM 564 O LYS A 46 -14.689 0.637 4.413 1.00 0.00 O ATOM 565 CB LYS A 46 -14.092 -1.829 6.803 1.00 0.00 C ATOM 566 CG LYS A 46 -13.797 -3.296 7.046 1.00 0.00 C ATOM 567 CD LYS A 46 -12.818 -3.484 8.195 1.00 0.00 C ATOM 568 CE LYS A 46 -13.512 -4.024 9.436 1.00 0.00 C ATOM 569 NZ LYS A 46 -13.250 -3.177 10.632 1.00 0.00 N ATOM 0 H LYS A 46 -12.529 0.271 5.555 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.763 -2.246 4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.497 -1.228 7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.139 -1.634 7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.725 -3.823 7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.386 -3.741 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -12.027 -4.170 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -12.342 -2.532 8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.586 -4.077 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.170 -5.041 9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.633 -3.691 11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.783 -2.295 10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -14.150 -2.952 11.102 1.00 0.00 H new ATOM 583 N SER A 47 -16.151 -0.970 5.011 1.00 0.00 N ATOM 584 CA SER A 47 -17.335 -0.227 4.606 1.00 0.00 C ATOM 585 C SER A 47 -18.569 -0.813 5.281 1.00 0.00 C ATOM 586 O SER A 47 -18.987 -1.924 4.968 1.00 0.00 O ATOM 587 CB SER A 47 -17.498 -0.271 3.086 1.00 0.00 C ATOM 588 OG SER A 47 -16.837 0.819 2.470 1.00 0.00 O ATOM 0 H SER A 47 -16.350 -1.894 5.395 1.00 0.00 H new ATOM 0 HA SER A 47 -17.219 0.813 4.913 1.00 0.00 H new ATOM 0 HB2 SER A 47 -17.096 -1.208 2.701 1.00 0.00 H new ATOM 0 HB3 SER A 47 -18.557 -0.249 2.830 1.00 0.00 H new ATOM 0 HG SER A 47 -17.439 1.592 2.440 1.00 0.00 H new ATOM 594 N TYR A 48 -19.127 -0.083 6.234 1.00 0.00 N ATOM 595 CA TYR A 48 -20.276 -0.574 6.979 1.00 0.00 C ATOM 596 C TYR A 48 -21.590 -0.139 6.345 1.00 0.00 C ATOM 597 O TYR A 48 -21.887 1.051 6.245 1.00 0.00 O ATOM 598 CB TYR A 48 -20.197 -0.104 8.430 1.00 0.00 C ATOM 599 CG TYR A 48 -19.010 -0.677 9.168 1.00 0.00 C ATOM 600 CD1 TYR A 48 -17.776 -0.041 9.136 1.00 0.00 C ATOM 601 CD2 TYR A 48 -19.113 -1.875 9.864 1.00 0.00 C ATOM 602 CE1 TYR A 48 -16.683 -0.570 9.796 1.00 0.00 C ATOM 603 CE2 TYR A 48 -18.026 -2.410 10.527 1.00 0.00 C ATOM 604 CZ TYR A 48 -16.813 -1.754 10.491 1.00 0.00 C ATOM 605 OH TYR A 48 -15.728 -2.284 11.150 1.00 0.00 O ATOM 0 H TYR A 48 -18.806 0.845 6.509 1.00 0.00 H new ATOM 0 HA TYR A 48 -20.251 -1.663 6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -20.142 0.984 8.452 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -21.113 -0.387 8.949 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -17.669 0.882 8.586 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -20.059 -2.396 9.887 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.732 -0.059 9.768 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -18.125 -3.338 11.071 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.989 -3.120 11.590 1.00 0.00 H new ATOM 615 N CYS A 49 -22.372 -1.125 5.917 1.00 0.00 N ATOM 616 CA CYS A 49 -23.667 -0.871 5.306 1.00 0.00 C ATOM 617 C CYS A 49 -24.608 -0.231 6.315 1.00 0.00 C ATOM 618 O CYS A 49 -25.316 -0.921 7.049 1.00 0.00 O ATOM 619 CB CYS A 49 -24.263 -2.176 4.770 1.00 0.00 C ATOM 620 SG CYS A 49 -26.026 -2.081 4.313 1.00 0.00 S ATOM 0 H CYS A 49 -22.127 -2.113 5.984 1.00 0.00 H new ATOM 0 HA CYS A 49 -23.534 -0.182 4.472 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -23.692 -2.488 3.896 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -24.139 -2.953 5.525 1.00 0.00 H new ATOM 625 N GLU A 50 -24.599 1.090 6.350 1.00 0.00 N ATOM 626 CA GLU A 50 -25.443 1.831 7.276 1.00 0.00 C ATOM 627 C GLU A 50 -26.455 2.679 6.512 1.00 0.00 C ATOM 628 O GLU A 50 -26.456 2.714 5.283 1.00 0.00 O ATOM 629 CB GLU A 50 -24.561 2.668 8.229 1.00 0.00 C ATOM 630 CG GLU A 50 -25.050 4.074 8.566 1.00 0.00 C ATOM 631 CD GLU A 50 -23.941 4.966 9.087 1.00 0.00 C ATOM 632 OE1 GLU A 50 -22.801 4.848 8.590 1.00 0.00 O ATOM 633 OE2 GLU A 50 -24.212 5.784 9.992 1.00 0.00 O ATOM 0 H GLU A 50 -24.017 1.673 5.749 1.00 0.00 H new ATOM 0 HA GLU A 50 -26.018 1.137 7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.450 2.115 9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.568 2.751 7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.487 4.526 7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -25.842 4.010 9.313 1.00 0.00 H new ATOM 640 N LEU A 51 -27.333 3.329 7.255 1.00 0.00 N ATOM 641 CA LEU A 51 -28.380 4.148 6.665 1.00 0.00 C ATOM 642 C LEU A 51 -27.901 5.582 6.441 1.00 0.00 C ATOM 643 O LEU A 51 -27.113 6.114 7.223 1.00 0.00 O ATOM 644 CB LEU A 51 -29.643 4.096 7.544 1.00 0.00 C ATOM 645 CG LEU A 51 -29.835 5.243 8.538 1.00 0.00 C ATOM 646 CD1 LEU A 51 -30.126 4.703 9.930 1.00 0.00 C ATOM 647 CD2 LEU A 51 -30.960 6.146 8.067 1.00 0.00 C ATOM 0 H LEU A 51 -27.342 3.306 8.275 1.00 0.00 H new ATOM 0 HA LEU A 51 -28.632 3.745 5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -30.513 4.065 6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -29.631 3.160 8.102 1.00 0.00 H new ATOM 0 HG LEU A 51 -28.914 5.824 8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -30.259 5.534 10.622 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -31.035 4.103 9.905 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -29.292 4.085 10.262 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -31.094 6.962 8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -30.712 6.555 7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -31.883 5.571 7.997 1.00 0.00 H new ATOM 659 N GLY A 52 -28.382 6.198 5.366 1.00 0.00 N ATOM 660 CA GLY A 52 -27.995 7.561 5.058 1.00 0.00 C ATOM 661 C GLY A 52 -28.638 8.570 5.988 1.00 0.00 C ATOM 662 O GLY A 52 -28.330 8.611 7.179 1.00 0.00 O ATOM 0 H GLY A 52 -29.033 5.777 4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -26.911 7.651 5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -28.273 7.791 4.029 1.00 0.00 H new ATOM 666 N SER A 53 -29.538 9.383 5.443 1.00 0.00 N ATOM 667 CA SER A 53 -30.225 10.400 6.231 1.00 0.00 C ATOM 668 C SER A 53 -31.738 10.302 6.055 1.00 0.00 C ATOM 669 O SER A 53 -32.494 10.436 7.018 1.00 0.00 O ATOM 670 CB SER A 53 -29.746 11.795 5.828 1.00 0.00 C ATOM 671 OG SER A 53 -30.276 12.787 6.690 1.00 0.00 O ATOM 0 H SER A 53 -29.808 9.357 4.460 1.00 0.00 H new ATOM 0 HA SER A 53 -29.989 10.228 7.281 1.00 0.00 H new ATOM 0 HB2 SER A 53 -28.657 11.830 5.855 1.00 0.00 H new ATOM 0 HB3 SER A 53 -30.047 12.003 4.801 1.00 0.00 H new ATOM 0 HG SER A 53 -29.953 13.669 6.411 1.00 0.00 H new ATOM 677 N THR A 54 -32.173 10.076 4.820 1.00 0.00 N ATOM 678 CA THR A 54 -33.597 9.968 4.520 1.00 0.00 C ATOM 679 C THR A 54 -34.065 8.519 4.594 1.00 0.00 C ATOM 680 O THR A 54 -34.731 8.024 3.685 1.00 0.00 O ATOM 681 CB THR A 54 -33.891 10.539 3.131 1.00 0.00 C ATOM 682 OG1 THR A 54 -33.306 9.731 2.124 1.00 0.00 O ATOM 683 CG2 THR A 54 -33.382 11.951 2.942 1.00 0.00 C ATOM 0 H THR A 54 -31.561 9.964 4.011 1.00 0.00 H new ATOM 0 HA THR A 54 -34.142 10.544 5.268 1.00 0.00 H new ATOM 0 HB THR A 54 -34.978 10.550 3.048 1.00 0.00 H new ATOM 0 HG1 THR A 54 -33.690 8.830 2.163 1.00 0.00 H new ATOM 0 HG21 THR A 54 -33.624 12.293 1.936 1.00 0.00 H new ATOM 0 HG22 THR A 54 -33.853 12.609 3.672 1.00 0.00 H new ATOM 0 HG23 THR A 54 -32.301 11.970 3.081 1.00 0.00 H new ATOM 691 N GLY A 55 -33.715 7.845 5.685 1.00 0.00 N ATOM 692 CA GLY A 55 -34.110 6.459 5.858 1.00 0.00 C ATOM 693 C GLY A 55 -33.658 5.581 4.709 1.00 0.00 C ATOM 694 O GLY A 55 -34.343 4.627 4.340 1.00 0.00 O ATOM 0 H GLY A 55 -33.166 8.233 6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -33.691 6.078 6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -35.195 6.402 5.950 1.00 0.00 H new ATOM 698 N SER A 56 -32.500 5.903 4.144 1.00 0.00 N ATOM 699 CA SER A 56 -31.954 5.142 3.028 1.00 0.00 C ATOM 700 C SER A 56 -30.779 4.281 3.476 1.00 0.00 C ATOM 701 O SER A 56 -30.464 4.212 4.663 1.00 0.00 O ATOM 702 CB SER A 56 -31.505 6.089 1.914 1.00 0.00 C ATOM 703 OG SER A 56 -30.977 5.370 0.813 1.00 0.00 O ATOM 0 H SER A 56 -31.920 6.688 4.442 1.00 0.00 H new ATOM 0 HA SER A 56 -32.739 4.486 2.651 1.00 0.00 H new ATOM 0 HB2 SER A 56 -32.350 6.694 1.585 1.00 0.00 H new ATOM 0 HB3 SER A 56 -30.751 6.776 2.299 1.00 0.00 H new ATOM 0 HG SER A 56 -30.699 5.999 0.115 1.00 0.00 H new ATOM 709 N MET A 57 -30.130 3.632 2.514 1.00 0.00 N ATOM 710 CA MET A 57 -28.980 2.783 2.797 1.00 0.00 C ATOM 711 C MET A 57 -27.729 3.363 2.150 1.00 0.00 C ATOM 712 O MET A 57 -27.794 3.968 1.080 1.00 0.00 O ATOM 713 CB MET A 57 -29.205 1.346 2.295 1.00 0.00 C ATOM 714 CG MET A 57 -30.621 1.055 1.811 1.00 0.00 C ATOM 715 SD MET A 57 -30.826 1.349 0.044 1.00 0.00 S ATOM 716 CE MET A 57 -32.472 2.050 0.008 1.00 0.00 C ATOM 0 H MET A 57 -30.383 3.679 1.527 1.00 0.00 H new ATOM 0 HA MET A 57 -28.849 2.749 3.879 1.00 0.00 H new ATOM 0 HB2 MET A 57 -28.509 1.147 1.480 1.00 0.00 H new ATOM 0 HB3 MET A 57 -28.961 0.652 3.099 1.00 0.00 H new ATOM 0 HG2 MET A 57 -30.871 0.018 2.034 1.00 0.00 H new ATOM 0 HG3 MET A 57 -31.325 1.678 2.363 1.00 0.00 H new ATOM 0 HE1 MET A 57 -32.745 2.286 -1.021 1.00 0.00 H new ATOM 0 HE2 MET A 57 -33.183 1.331 0.416 1.00 0.00 H new ATOM 0 HE3 MET A 57 -32.493 2.961 0.607 1.00 0.00 H new ATOM 726 N VAL A 58 -26.595 3.180 2.809 1.00 0.00 N ATOM 727 CA VAL A 58 -25.329 3.698 2.309 1.00 0.00 C ATOM 728 C VAL A 58 -24.160 2.845 2.788 1.00 0.00 C ATOM 729 O VAL A 58 -24.349 1.841 3.474 1.00 0.00 O ATOM 730 CB VAL A 58 -25.106 5.153 2.755 1.00 0.00 C ATOM 731 CG1 VAL A 58 -25.864 6.112 1.850 1.00 0.00 C ATOM 732 CG2 VAL A 58 -25.527 5.328 4.203 1.00 0.00 C ATOM 0 H VAL A 58 -26.525 2.676 3.693 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.378 3.663 1.221 1.00 0.00 H new ATOM 0 HB VAL A 58 -24.044 5.384 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -25.694 7.136 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -25.512 5.999 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -26.930 5.889 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -25.364 6.362 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -26.584 5.081 4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -24.936 4.666 4.836 1.00 0.00 H new ATOM 742 N TRP A 59 -22.951 3.258 2.428 1.00 0.00 N ATOM 743 CA TRP A 59 -21.749 2.530 2.806 1.00 0.00 C ATOM 744 C TRP A 59 -20.710 3.470 3.412 1.00 0.00 C ATOM 745 O TRP A 59 -20.321 4.459 2.789 1.00 0.00 O ATOM 746 CB TRP A 59 -21.165 1.830 1.581 1.00 0.00 C ATOM 747 CG TRP A 59 -21.953 0.633 1.140 1.00 0.00 C ATOM 748 CD1 TRP A 59 -22.882 0.581 0.138 1.00 0.00 C ATOM 749 CD2 TRP A 59 -21.866 -0.689 1.675 1.00 0.00 C ATOM 750 NE1 TRP A 59 -23.375 -0.697 0.019 1.00 0.00 N ATOM 751 CE2 TRP A 59 -22.772 -1.493 0.957 1.00 0.00 C ATOM 752 CE3 TRP A 59 -21.112 -1.273 2.695 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -22.940 -2.847 1.230 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -21.286 -2.613 2.967 1.00 0.00 C ATOM 755 CH2 TRP A 59 -22.185 -3.387 2.235 1.00 0.00 C ATOM 0 H TRP A 59 -22.778 4.096 1.873 1.00 0.00 H new ATOM 0 HA TRP A 59 -22.017 1.787 3.557 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -21.111 2.542 0.758 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.144 1.520 1.802 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -23.184 1.420 -0.471 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -24.075 -1.002 -0.657 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -20.405 -0.685 3.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -23.640 -3.449 0.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.716 -3.071 3.761 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.288 -4.437 2.467 1.00 0.00 H new ATOM 766 N ASN A 60 -20.258 3.158 4.625 1.00 0.00 N ATOM 767 CA ASN A 60 -19.272 3.991 5.305 1.00 0.00 C ATOM 768 C ASN A 60 -18.288 3.138 6.111 1.00 0.00 C ATOM 769 O ASN A 60 -18.706 2.332 6.944 1.00 0.00 O ATOM 770 CB ASN A 60 -19.979 4.975 6.237 1.00 0.00 C ATOM 771 CG ASN A 60 -20.486 6.202 5.507 1.00 0.00 C ATOM 772 OD1 ASN A 60 -19.814 7.233 5.461 1.00 0.00 O ATOM 773 ND2 ASN A 60 -21.678 6.097 4.933 1.00 0.00 N ATOM 0 H ASN A 60 -20.558 2.339 5.154 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.711 4.539 4.547 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.816 4.473 6.723 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.291 5.283 7.025 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.073 6.891 4.428 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.200 5.223 4.997 1.00 0.00 H new ATOM 780 N PRO A 61 -16.964 3.306 5.899 1.00 0.00 N ATOM 781 CA PRO A 61 -16.400 4.251 4.926 1.00 0.00 C ATOM 782 C PRO A 61 -16.641 3.801 3.490 1.00 0.00 C ATOM 783 O PRO A 61 -17.530 2.993 3.228 1.00 0.00 O ATOM 784 CB PRO A 61 -14.896 4.258 5.239 1.00 0.00 C ATOM 785 CG PRO A 61 -14.751 3.526 6.533 1.00 0.00 C ATOM 786 CD PRO A 61 -15.906 2.572 6.600 1.00 0.00 C ATOM 0 HA PRO A 61 -16.861 5.236 5.006 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.329 3.770 4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.517 5.277 5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.801 2.993 6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.766 4.217 7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -15.678 1.624 6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -16.184 2.343 7.629 1.00 0.00 H new ATOM 794 N GLU A 62 -15.879 4.366 2.557 1.00 0.00 N ATOM 795 CA GLU A 62 -16.020 4.022 1.150 1.00 0.00 C ATOM 796 C GLU A 62 -14.778 3.269 0.627 1.00 0.00 C ATOM 797 O GLU A 62 -14.513 2.148 1.056 1.00 0.00 O ATOM 798 CB GLU A 62 -16.313 5.285 0.344 1.00 0.00 C ATOM 799 CG GLU A 62 -15.448 6.457 0.750 1.00 0.00 C ATOM 800 CD GLU A 62 -15.482 7.589 -0.257 1.00 0.00 C ATOM 801 OE1 GLU A 62 -16.574 8.156 -0.475 1.00 0.00 O ATOM 802 OE2 GLU A 62 -14.419 7.908 -0.828 1.00 0.00 O ATOM 0 H GLU A 62 -15.160 5.062 2.752 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.861 3.339 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.161 5.077 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.362 5.554 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.780 6.829 1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.420 6.118 0.874 1.00 0.00 H new ATOM 809 N ALA A 63 -14.022 3.879 -0.298 1.00 0.00 N ATOM 810 CA ALA A 63 -12.841 3.265 -0.872 1.00 0.00 C ATOM 811 C ALA A 63 -11.605 4.102 -0.569 1.00 0.00 C ATOM 812 O ALA A 63 -11.236 4.973 -1.355 1.00 0.00 O ATOM 813 CB ALA A 63 -13.014 3.120 -2.375 1.00 0.00 C ATOM 0 H ALA A 63 -14.222 4.811 -0.661 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.709 2.278 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.123 2.658 -2.801 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.882 2.494 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.161 4.104 -2.821 1.00 0.00 H new ATOM 819 N PRO A 64 -10.973 3.868 0.594 1.00 0.00 N ATOM 820 CA PRO A 64 -9.764 4.590 1.032 1.00 0.00 C ATOM 821 C PRO A 64 -8.670 4.673 -0.032 1.00 0.00 C ATOM 822 O PRO A 64 -8.920 4.544 -1.228 1.00 0.00 O ATOM 823 CB PRO A 64 -9.270 3.749 2.220 1.00 0.00 C ATOM 824 CG PRO A 64 -10.036 2.482 2.127 1.00 0.00 C ATOM 825 CD PRO A 64 -11.365 2.870 1.595 1.00 0.00 C ATOM 0 HA PRO A 64 -9.994 5.630 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.197 3.569 2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.455 4.255 3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.540 1.770 1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.126 2.004 3.102 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -11.897 2.027 1.153 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.014 3.288 2.365 1.00 0.00 H new ATOM 833 N ILE A 65 -7.444 4.892 0.426 1.00 0.00 N ATOM 834 CA ILE A 65 -6.305 5.046 -0.473 1.00 0.00 C ATOM 835 C ILE A 65 -5.576 3.727 -0.707 1.00 0.00 C ATOM 836 O ILE A 65 -5.760 2.759 0.029 1.00 0.00 O ATOM 837 CB ILE A 65 -5.298 6.074 0.072 1.00 0.00 C ATOM 838 CG1 ILE A 65 -6.023 7.235 0.757 1.00 0.00 C ATOM 839 CG2 ILE A 65 -4.406 6.587 -1.044 1.00 0.00 C ATOM 840 CD1 ILE A 65 -6.794 8.117 -0.201 1.00 0.00 C ATOM 0 H ILE A 65 -7.212 4.967 1.416 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.713 5.397 -1.421 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.673 5.578 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.710 6.834 1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.293 7.844 1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.700 7.313 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.858 5.754 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.019 7.063 -1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.282 8.918 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.109 8.547 -0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.548 7.522 -0.717 1.00 0.00 H new ATOM 852 N CYS A 66 -4.731 3.715 -1.733 1.00 0.00 N ATOM 853 CA CYS A 66 -3.942 2.540 -2.079 1.00 0.00 C ATOM 854 C CYS A 66 -2.765 2.936 -2.966 1.00 0.00 C ATOM 855 O CYS A 66 -2.910 3.762 -3.868 1.00 0.00 O ATOM 856 CB CYS A 66 -4.808 1.507 -2.801 1.00 0.00 C ATOM 857 SG CYS A 66 -5.354 0.126 -1.746 1.00 0.00 S ATOM 0 H CYS A 66 -4.575 4.516 -2.345 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.562 2.099 -1.157 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.686 2.007 -3.210 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.248 1.106 -3.645 1.00 0.00 H new ATOM 862 N GLU A 67 -1.601 2.355 -2.702 1.00 0.00 N ATOM 863 CA GLU A 67 -0.407 2.662 -3.481 1.00 0.00 C ATOM 864 C GLU A 67 0.662 1.590 -3.296 1.00 0.00 C ATOM 865 O GLU A 67 0.444 0.592 -2.610 1.00 0.00 O ATOM 866 CB GLU A 67 0.151 4.028 -3.079 1.00 0.00 C ATOM 867 CG GLU A 67 0.617 4.866 -4.258 1.00 0.00 C ATOM 868 CD GLU A 67 -0.490 5.723 -4.839 1.00 0.00 C ATOM 869 OE1 GLU A 67 -0.732 5.632 -6.061 1.00 0.00 O ATOM 870 OE2 GLU A 67 -1.114 6.487 -4.073 1.00 0.00 O ATOM 0 H GLU A 67 -1.458 1.672 -1.958 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.690 2.685 -4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.616 4.578 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.987 3.883 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.439 5.507 -3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.008 4.208 -5.034 1.00 0.00 H new ATOM 877 N SER A 68 1.818 1.803 -3.917 1.00 0.00 N ATOM 878 CA SER A 68 2.921 0.855 -3.828 1.00 0.00 C ATOM 879 C SER A 68 3.740 1.083 -2.563 1.00 0.00 C ATOM 880 O SER A 68 4.120 2.210 -2.247 1.00 0.00 O ATOM 881 CB SER A 68 3.819 0.967 -5.063 1.00 0.00 C ATOM 882 OG SER A 68 5.144 0.559 -4.772 1.00 0.00 O ATOM 0 H SER A 68 2.014 2.625 -4.488 1.00 0.00 H new ATOM 0 HA SER A 68 2.499 -0.149 -3.785 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.415 0.352 -5.867 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.823 1.997 -5.421 1.00 0.00 H new ATOM 0 HG SER A 68 5.140 -0.373 -4.471 1.00 0.00 H new ATOM 888 N VAL A 69 4.013 -0.004 -1.853 1.00 0.00 N ATOM 889 CA VAL A 69 4.786 0.049 -0.616 1.00 0.00 C ATOM 890 C VAL A 69 6.033 0.909 -0.772 1.00 0.00 C ATOM 891 O VAL A 69 7.044 0.468 -1.318 1.00 0.00 O ATOM 892 CB VAL A 69 5.206 -1.354 -0.138 1.00 0.00 C ATOM 893 CG1 VAL A 69 5.442 -2.283 -1.317 1.00 0.00 C ATOM 894 CG2 VAL A 69 4.159 -1.928 0.800 1.00 0.00 C ATOM 0 H VAL A 69 3.708 -0.942 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 69 4.130 0.495 0.131 1.00 0.00 H new ATOM 0 HB VAL A 69 6.145 -1.262 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.737 -3.267 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.525 -2.372 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.233 -1.877 -1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.470 -2.920 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.050 -1.276 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.205 -2.001 0.279 1.00 0.00 H new ATOM 904 N LYS A 70 5.954 2.131 -0.268 1.00 0.00 N ATOM 905 CA LYS A 70 7.069 3.066 -0.342 1.00 0.00 C ATOM 906 C LYS A 70 8.195 2.664 0.606 1.00 0.00 C ATOM 907 O LYS A 70 7.990 2.541 1.814 1.00 0.00 O ATOM 908 CB LYS A 70 6.594 4.478 -0.004 1.00 0.00 C ATOM 909 CG LYS A 70 6.033 5.228 -1.198 1.00 0.00 C ATOM 910 CD LYS A 70 7.001 6.292 -1.679 1.00 0.00 C ATOM 911 CE LYS A 70 6.998 6.410 -3.194 1.00 0.00 C ATOM 912 NZ LYS A 70 6.945 7.830 -3.641 1.00 0.00 N ATOM 0 H LYS A 70 5.126 2.501 0.199 1.00 0.00 H new ATOM 0 HA LYS A 70 7.455 3.044 -1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.830 4.420 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.428 5.044 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.827 4.527 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.084 5.691 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.734 7.253 -1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.007 6.052 -1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.893 5.936 -3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.142 5.870 -3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.945 7.867 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.078 8.276 -3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.775 8.340 -3.277 1.00 0.00 H new ATOM 926 N CYS A 71 9.389 2.477 0.051 1.00 0.00 N ATOM 927 CA CYS A 71 10.560 2.125 0.845 1.00 0.00 C ATOM 928 C CYS A 71 11.464 3.336 0.999 1.00 0.00 C ATOM 929 O CYS A 71 11.903 3.927 0.013 1.00 0.00 O ATOM 930 CB CYS A 71 11.354 0.967 0.213 1.00 0.00 C ATOM 931 SG CYS A 71 10.578 0.174 -1.239 1.00 0.00 S ATOM 0 H CYS A 71 9.570 2.564 -0.949 1.00 0.00 H new ATOM 0 HA CYS A 71 10.208 1.797 1.823 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.335 1.341 -0.081 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.519 0.205 0.975 1.00 0.00 H new ATOM 936 N GLN A 72 11.736 3.705 2.241 1.00 0.00 N ATOM 937 CA GLN A 72 12.586 4.849 2.521 1.00 0.00 C ATOM 938 C GLN A 72 14.028 4.547 2.130 1.00 0.00 C ATOM 939 O GLN A 72 14.278 3.690 1.281 1.00 0.00 O ATOM 940 CB GLN A 72 12.491 5.220 4.003 1.00 0.00 C ATOM 941 CG GLN A 72 13.179 4.233 4.933 1.00 0.00 C ATOM 942 CD GLN A 72 12.279 3.082 5.334 1.00 0.00 C ATOM 943 OE1 GLN A 72 11.382 3.240 6.162 1.00 0.00 O ATOM 944 NE2 GLN A 72 12.517 1.913 4.751 1.00 0.00 N ATOM 0 H GLN A 72 11.380 3.229 3.070 1.00 0.00 H new ATOM 0 HA GLN A 72 12.245 5.698 1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.930 6.207 4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.440 5.294 4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.069 3.839 4.443 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.513 4.757 5.829 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.271 1.827 4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.945 1.101 4.984 1.00 0.00 H new ATOM 953 N SER A 73 14.976 5.249 2.739 1.00 0.00 N ATOM 954 CA SER A 73 16.379 5.033 2.441 1.00 0.00 C ATOM 955 C SER A 73 16.732 3.555 2.587 1.00 0.00 C ATOM 956 O SER A 73 16.170 2.856 3.431 1.00 0.00 O ATOM 957 CB SER A 73 17.250 5.877 3.365 1.00 0.00 C ATOM 958 OG SER A 73 18.501 6.165 2.766 1.00 0.00 O ATOM 0 H SER A 73 14.796 5.969 3.439 1.00 0.00 H new ATOM 0 HA SER A 73 16.566 5.335 1.410 1.00 0.00 H new ATOM 0 HB2 SER A 73 16.736 6.808 3.605 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.407 5.348 4.305 1.00 0.00 H new ATOM 0 HG SER A 73 19.166 5.512 3.068 1.00 0.00 H new ATOM 964 N PRO A 74 17.651 3.048 1.751 1.00 0.00 N ATOM 965 CA PRO A 74 18.057 1.641 1.788 1.00 0.00 C ATOM 966 C PRO A 74 18.709 1.264 3.118 1.00 0.00 C ATOM 967 O PRO A 74 19.073 2.135 3.908 1.00 0.00 O ATOM 968 CB PRO A 74 19.058 1.511 0.632 1.00 0.00 C ATOM 969 CG PRO A 74 18.840 2.719 -0.216 1.00 0.00 C ATOM 970 CD PRO A 74 18.367 3.800 0.711 1.00 0.00 C ATOM 0 HA PRO A 74 17.203 0.971 1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 74 20.083 1.470 1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 74 18.887 0.596 0.065 1.00 0.00 H new ATOM 0 HG2 PRO A 74 19.761 3.013 -0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.101 2.521 -0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.199 4.370 1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 74 17.714 4.510 0.204 1.00 0.00 H new ATOM 978 N PRO A 75 18.847 -0.045 3.390 1.00 0.00 N ATOM 979 CA PRO A 75 19.435 -0.536 4.637 1.00 0.00 C ATOM 980 C PRO A 75 20.688 0.229 5.042 1.00 0.00 C ATOM 981 O PRO A 75 21.321 0.890 4.219 1.00 0.00 O ATOM 982 CB PRO A 75 19.778 -1.987 4.310 1.00 0.00 C ATOM 983 CG PRO A 75 18.770 -2.392 3.289 1.00 0.00 C ATOM 984 CD PRO A 75 18.428 -1.150 2.506 1.00 0.00 C ATOM 0 HA PRO A 75 18.755 -0.417 5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 75 20.793 -2.077 3.922 1.00 0.00 H new ATOM 0 HB3 PRO A 75 19.719 -2.618 5.197 1.00 0.00 H new ATOM 0 HG2 PRO A 75 19.171 -3.165 2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.882 -2.807 3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 75 18.956 -1.121 1.553 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.362 -1.100 2.282 1.00 0.00 H new ATOM 992 N SER A 76 21.041 0.126 6.318 1.00 0.00 N ATOM 993 CA SER A 76 22.226 0.791 6.840 1.00 0.00 C ATOM 994 C SER A 76 23.319 -0.227 7.144 1.00 0.00 C ATOM 995 O SER A 76 23.400 -0.754 8.253 1.00 0.00 O ATOM 996 CB SER A 76 21.877 1.578 8.105 1.00 0.00 C ATOM 997 OG SER A 76 21.536 0.707 9.170 1.00 0.00 O ATOM 0 H SER A 76 20.521 -0.413 7.011 1.00 0.00 H new ATOM 0 HA SER A 76 22.595 1.483 6.083 1.00 0.00 H new ATOM 0 HB2 SER A 76 22.724 2.199 8.396 1.00 0.00 H new ATOM 0 HB3 SER A 76 21.044 2.251 7.900 1.00 0.00 H new ATOM 0 HG SER A 76 22.284 0.100 9.349 1.00 0.00 H new ATOM 1003 N ILE A 77 24.161 -0.494 6.152 1.00 0.00 N ATOM 1004 CA ILE A 77 25.236 -1.468 6.305 1.00 0.00 C ATOM 1005 C ILE A 77 26.306 -0.963 7.265 1.00 0.00 C ATOM 1006 O ILE A 77 26.249 0.173 7.736 1.00 0.00 O ATOM 1007 CB ILE A 77 25.895 -1.802 4.952 1.00 0.00 C ATOM 1008 CG1 ILE A 77 26.596 -0.570 4.371 1.00 0.00 C ATOM 1009 CG2 ILE A 77 24.859 -2.337 3.977 1.00 0.00 C ATOM 1010 CD1 ILE A 77 27.684 -0.911 3.377 1.00 0.00 C ATOM 0 H ILE A 77 24.120 -0.050 5.234 1.00 0.00 H new ATOM 0 HA ILE A 77 24.782 -2.372 6.712 1.00 0.00 H new ATOM 0 HB ILE A 77 26.647 -2.574 5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 77 25.855 0.065 3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 77 27.028 0.011 5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 77 25.339 -2.568 3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.408 -3.241 4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 77 24.086 -1.585 3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 77 28.138 0.008 3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 77 28.445 -1.520 3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 77 27.254 -1.466 2.543 1.00 0.00 H new ATOM 1022 N SER A 78 27.282 -1.818 7.550 1.00 0.00 N ATOM 1023 CA SER A 78 28.373 -1.459 8.446 1.00 0.00 C ATOM 1024 C SER A 78 29.584 -0.982 7.656 1.00 0.00 C ATOM 1025 O SER A 78 29.874 -1.496 6.576 1.00 0.00 O ATOM 1026 CB SER A 78 28.759 -2.653 9.320 1.00 0.00 C ATOM 1027 OG SER A 78 28.891 -3.832 8.546 1.00 0.00 O ATOM 0 H SER A 78 27.339 -2.764 7.173 1.00 0.00 H new ATOM 0 HA SER A 78 28.033 -0.646 9.087 1.00 0.00 H new ATOM 0 HB2 SER A 78 29.698 -2.444 9.832 1.00 0.00 H new ATOM 0 HB3 SER A 78 28.002 -2.803 10.090 1.00 0.00 H new ATOM 0 HG SER A 78 29.140 -4.580 9.129 1.00 0.00 H new ATOM 1033 N ASN A 79 30.284 0.006 8.198 1.00 0.00 N ATOM 1034 CA ASN A 79 31.464 0.547 7.544 1.00 0.00 C ATOM 1035 C ASN A 79 31.138 1.010 6.129 1.00 0.00 C ATOM 1036 O ASN A 79 31.992 0.981 5.243 1.00 0.00 O ATOM 1037 CB ASN A 79 32.569 -0.506 7.508 1.00 0.00 C ATOM 1038 CG ASN A 79 32.702 -1.250 8.815 1.00 0.00 C ATOM 1039 OD1 ASN A 79 33.442 -0.836 9.707 1.00 0.00 O ATOM 1040 ND2 ASN A 79 31.996 -2.362 8.931 1.00 0.00 N ATOM 0 H ASN A 79 30.054 0.448 9.088 1.00 0.00 H new ATOM 0 HA ASN A 79 31.808 1.409 8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 79 32.363 -1.217 6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 79 33.517 -0.025 7.270 1.00 0.00 H new ATOM 0 HD21 ASN A 79 32.052 -2.915 9.786 1.00 0.00 H new ATOM 0 HD22 ASN A 79 31.395 -2.667 8.165 1.00 0.00 H new ATOM 1047 N GLY A 80 29.899 1.443 5.927 1.00 0.00 N ATOM 1048 CA GLY A 80 29.481 1.915 4.621 1.00 0.00 C ATOM 1049 C GLY A 80 28.152 2.640 4.664 1.00 0.00 C ATOM 1050 O GLY A 80 27.635 2.940 5.741 1.00 0.00 O ATOM 0 H GLY A 80 29.176 1.476 6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 80 30.243 2.583 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 80 29.407 1.068 3.939 1.00 0.00 H new ATOM 1054 N ARG A 81 27.599 2.929 3.492 1.00 0.00 N ATOM 1055 CA ARG A 81 26.322 3.625 3.403 1.00 0.00 C ATOM 1056 C ARG A 81 25.721 3.491 2.011 1.00 0.00 C ATOM 1057 O ARG A 81 26.266 2.803 1.148 1.00 0.00 O ATOM 1058 CB ARG A 81 26.485 5.104 3.764 1.00 0.00 C ATOM 1059 CG ARG A 81 27.815 5.709 3.340 1.00 0.00 C ATOM 1060 CD ARG A 81 28.166 6.918 4.193 1.00 0.00 C ATOM 1061 NE ARG A 81 28.465 8.097 3.385 1.00 0.00 N ATOM 1062 CZ ARG A 81 29.488 8.171 2.540 1.00 0.00 C ATOM 1063 NH1 ARG A 81 29.694 9.279 1.842 1.00 0.00 N ATOM 1064 NH2 ARG A 81 30.303 7.136 2.391 1.00 0.00 N ATOM 0 H ARG A 81 28.015 2.692 2.591 1.00 0.00 H new ATOM 0 HA ARG A 81 25.642 3.162 4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 81 25.677 5.670 3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 81 26.375 5.217 4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 81 28.602 4.960 3.425 1.00 0.00 H new ATOM 0 HG3 ARG A 81 27.766 6.002 2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 81 27.336 7.140 4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 81 29.026 6.681 4.819 1.00 0.00 H new ATOM 0 HE ARG A 81 27.854 8.909 3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 81 29.067 10.076 1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 81 30.480 9.335 1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 81 30.145 6.282 2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 81 31.088 7.194 1.742 1.00 0.00 H new ATOM 1078 N HIS A 82 24.587 4.148 1.805 1.00 0.00 N ATOM 1079 CA HIS A 82 23.892 4.098 0.525 1.00 0.00 C ATOM 1080 C HIS A 82 24.011 5.425 -0.217 1.00 0.00 C ATOM 1081 O HIS A 82 24.518 6.407 0.326 1.00 0.00 O ATOM 1082 CB HIS A 82 22.418 3.762 0.744 1.00 0.00 C ATOM 1083 CG HIS A 82 21.780 4.582 1.821 1.00 0.00 C ATOM 1084 ND1 HIS A 82 21.781 5.961 1.815 1.00 0.00 N ATOM 1085 CD2 HIS A 82 21.131 4.213 2.952 1.00 0.00 C ATOM 1086 CE1 HIS A 82 21.157 6.405 2.891 1.00 0.00 C ATOM 1087 NE2 HIS A 82 20.752 5.365 3.596 1.00 0.00 N ATOM 0 H HIS A 82 24.127 4.724 2.511 1.00 0.00 H new ATOM 0 HA HIS A 82 24.357 3.321 -0.082 1.00 0.00 H new ATOM 0 HB2 HIS A 82 21.875 3.914 -0.189 1.00 0.00 H new ATOM 0 HB3 HIS A 82 22.327 2.706 0.998 1.00 0.00 H new ATOM 0 HD2 HIS A 82 20.946 3.202 3.285 1.00 0.00 H new ATOM 0 HE1 HIS A 82 21.004 7.442 3.150 1.00 0.00 H new ATOM 0 HE2 HIS A 82 20.240 5.410 4.477 1.00 0.00 H new ATOM 1096 N ASN A 83 23.533 5.451 -1.458 1.00 0.00 N ATOM 1097 CA ASN A 83 23.577 6.664 -2.265 1.00 0.00 C ATOM 1098 C ASN A 83 22.198 7.313 -2.337 1.00 0.00 C ATOM 1099 O ASN A 83 21.878 8.199 -1.544 1.00 0.00 O ATOM 1100 CB ASN A 83 24.085 6.349 -3.673 1.00 0.00 C ATOM 1101 CG ASN A 83 25.556 5.987 -3.689 1.00 0.00 C ATOM 1102 OD1 ASN A 83 26.241 6.076 -2.670 1.00 0.00 O ATOM 1103 ND2 ASN A 83 26.050 5.573 -4.850 1.00 0.00 N ATOM 0 H ASN A 83 23.112 4.648 -1.925 1.00 0.00 H new ATOM 0 HA ASN A 83 24.265 7.365 -1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 83 23.506 5.524 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 83 23.919 7.212 -4.318 1.00 0.00 H new ATOM 0 HD21 ASN A 83 27.034 5.313 -4.922 1.00 0.00 H new ATOM 0 HD22 ASN A 83 25.446 5.514 -5.670 1.00 0.00 H new ATOM 1110 N GLY A 84 21.380 6.858 -3.282 1.00 0.00 N ATOM 1111 CA GLY A 84 20.040 7.392 -3.424 1.00 0.00 C ATOM 1112 C GLY A 84 20.026 8.876 -3.731 1.00 0.00 C ATOM 1113 O GLY A 84 20.825 9.639 -3.190 1.00 0.00 O ATOM 0 H GLY A 84 21.623 6.128 -3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.523 6.856 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.483 7.211 -2.505 1.00 0.00 H new ATOM 1117 N TYR A 85 19.103 9.286 -4.595 1.00 0.00 N ATOM 1118 CA TYR A 85 18.973 10.685 -4.970 1.00 0.00 C ATOM 1119 C TYR A 85 17.684 11.272 -4.411 1.00 0.00 C ATOM 1120 O TYR A 85 17.617 12.455 -4.079 1.00 0.00 O ATOM 1121 CB TYR A 85 18.997 10.825 -6.491 1.00 0.00 C ATOM 1122 CG TYR A 85 20.130 10.069 -7.146 1.00 0.00 C ATOM 1123 CD1 TYR A 85 21.294 10.721 -7.530 1.00 0.00 C ATOM 1124 CD2 TYR A 85 20.039 8.701 -7.370 1.00 0.00 C ATOM 1125 CE1 TYR A 85 22.334 10.033 -8.125 1.00 0.00 C ATOM 1126 CE2 TYR A 85 21.073 8.006 -7.966 1.00 0.00 C ATOM 1127 CZ TYR A 85 22.219 8.676 -8.341 1.00 0.00 C ATOM 1128 OH TYR A 85 23.252 7.986 -8.934 1.00 0.00 O ATOM 0 H TYR A 85 18.433 8.665 -5.049 1.00 0.00 H new ATOM 0 HA TYR A 85 19.815 11.235 -4.549 1.00 0.00 H new ATOM 0 HB2 TYR A 85 18.050 10.468 -6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 85 19.077 11.881 -6.750 1.00 0.00 H new ATOM 0 HD1 TYR A 85 21.388 11.784 -7.361 1.00 0.00 H new ATOM 0 HD2 TYR A 85 19.145 8.172 -7.073 1.00 0.00 H new ATOM 0 HE1 TYR A 85 23.232 10.555 -8.419 1.00 0.00 H new ATOM 0 HE2 TYR A 85 20.985 6.943 -8.138 1.00 0.00 H new ATOM 0 HH TYR A 85 23.011 7.039 -9.012 1.00 0.00 H new ATOM 1138 N GLU A 86 16.670 10.427 -4.298 1.00 0.00 N ATOM 1139 CA GLU A 86 15.379 10.841 -3.773 1.00 0.00 C ATOM 1140 C GLU A 86 15.283 10.545 -2.280 1.00 0.00 C ATOM 1141 O GLU A 86 16.268 10.162 -1.649 1.00 0.00 O ATOM 1142 CB GLU A 86 14.256 10.125 -4.524 1.00 0.00 C ATOM 1143 CG GLU A 86 13.660 10.949 -5.652 1.00 0.00 C ATOM 1144 CD GLU A 86 12.185 11.235 -5.449 1.00 0.00 C ATOM 1145 OE1 GLU A 86 11.464 11.382 -6.458 1.00 0.00 O ATOM 1146 OE2 GLU A 86 11.750 11.311 -4.280 1.00 0.00 O ATOM 0 H GLU A 86 16.718 9.444 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 86 15.276 11.917 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.641 9.190 -4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.467 9.864 -3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.201 11.892 -5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.797 10.420 -6.595 1.00 0.00 H new ATOM 1153 N ASP A 87 14.093 10.725 -1.722 1.00 0.00 N ATOM 1154 CA ASP A 87 13.871 10.482 -0.302 1.00 0.00 C ATOM 1155 C ASP A 87 13.106 9.181 -0.069 1.00 0.00 C ATOM 1156 O ASP A 87 13.065 8.673 1.052 1.00 0.00 O ATOM 1157 CB ASP A 87 13.103 11.651 0.320 1.00 0.00 C ATOM 1158 CG ASP A 87 14.025 12.686 0.936 1.00 0.00 C ATOM 1159 OD1 ASP A 87 14.779 13.334 0.180 1.00 0.00 O ATOM 1160 OD2 ASP A 87 13.992 12.848 2.174 1.00 0.00 O ATOM 0 H ASP A 87 13.266 11.038 -2.231 1.00 0.00 H new ATOM 0 HA ASP A 87 14.847 10.392 0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.488 12.126 -0.444 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.425 11.271 1.085 1.00 0.00 H new ATOM 1165 N PHE A 88 12.501 8.643 -1.125 1.00 0.00 N ATOM 1166 CA PHE A 88 11.731 7.414 -1.007 1.00 0.00 C ATOM 1167 C PHE A 88 11.944 6.502 -2.212 1.00 0.00 C ATOM 1168 O PHE A 88 12.666 6.849 -3.147 1.00 0.00 O ATOM 1169 CB PHE A 88 10.249 7.742 -0.858 1.00 0.00 C ATOM 1170 CG PHE A 88 9.798 7.813 0.567 1.00 0.00 C ATOM 1171 CD1 PHE A 88 9.351 6.676 1.214 1.00 0.00 C ATOM 1172 CD2 PHE A 88 9.829 9.010 1.261 1.00 0.00 C ATOM 1173 CE1 PHE A 88 8.936 6.730 2.526 1.00 0.00 C ATOM 1174 CE2 PHE A 88 9.415 9.072 2.576 1.00 0.00 C ATOM 1175 CZ PHE A 88 8.967 7.929 3.211 1.00 0.00 C ATOM 0 H PHE A 88 12.530 9.038 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 88 12.079 6.884 -0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 88 10.045 8.696 -1.344 1.00 0.00 H new ATOM 0 HB3 PHE A 88 9.663 6.986 -1.380 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.327 5.735 0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.181 9.905 0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.586 5.835 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.441 10.012 3.108 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.642 7.973 4.240 1.00 0.00 H new ATOM 1185 N TYR A 89 11.314 5.331 -2.175 1.00 0.00 N ATOM 1186 CA TYR A 89 11.442 4.356 -3.253 1.00 0.00 C ATOM 1187 C TYR A 89 10.245 3.408 -3.272 1.00 0.00 C ATOM 1188 O TYR A 89 9.477 3.348 -2.313 1.00 0.00 O ATOM 1189 CB TYR A 89 12.738 3.559 -3.086 1.00 0.00 C ATOM 1190 CG TYR A 89 13.981 4.420 -3.031 1.00 0.00 C ATOM 1191 CD1 TYR A 89 14.408 4.981 -1.834 1.00 0.00 C ATOM 1192 CD2 TYR A 89 14.730 4.666 -4.175 1.00 0.00 C ATOM 1193 CE1 TYR A 89 15.545 5.764 -1.779 1.00 0.00 C ATOM 1194 CE2 TYR A 89 15.867 5.449 -4.128 1.00 0.00 C ATOM 1195 CZ TYR A 89 16.271 5.995 -2.929 1.00 0.00 C ATOM 1196 OH TYR A 89 17.401 6.776 -2.880 1.00 0.00 O ATOM 0 H TYR A 89 10.709 5.034 -1.409 1.00 0.00 H new ATOM 0 HA TYR A 89 11.470 4.893 -4.201 1.00 0.00 H new ATOM 0 HB2 TYR A 89 12.675 2.969 -2.172 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.831 2.856 -3.914 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.842 4.802 -0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 89 14.418 4.238 -5.116 1.00 0.00 H new ATOM 0 HE1 TYR A 89 15.864 6.193 -0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.437 5.632 -5.027 1.00 0.00 H new ATOM 0 HH TYR A 89 17.306 7.444 -2.169 1.00 0.00 H new ATOM 1206 N THR A 90 10.090 2.666 -4.366 1.00 0.00 N ATOM 1207 CA THR A 90 8.977 1.732 -4.501 1.00 0.00 C ATOM 1208 C THR A 90 9.353 0.530 -5.363 1.00 0.00 C ATOM 1209 O THR A 90 10.500 0.386 -5.785 1.00 0.00 O ATOM 1210 CB THR A 90 7.766 2.445 -5.101 1.00 0.00 C ATOM 1211 OG1 THR A 90 8.141 3.198 -6.240 1.00 0.00 O ATOM 1212 CG2 THR A 90 7.096 3.383 -4.127 1.00 0.00 C ATOM 0 H THR A 90 10.719 2.694 -5.169 1.00 0.00 H new ATOM 0 HA THR A 90 8.728 1.365 -3.505 1.00 0.00 H new ATOM 0 HB THR A 90 7.062 1.657 -5.369 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.352 3.645 -6.611 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.243 3.860 -4.610 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.754 2.821 -3.258 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.807 4.146 -3.809 1.00 0.00 H new ATOM 1220 N ASP A 91 8.374 -0.334 -5.615 1.00 0.00 N ATOM 1221 CA ASP A 91 8.589 -1.535 -6.410 1.00 0.00 C ATOM 1222 C ASP A 91 9.227 -1.208 -7.748 1.00 0.00 C ATOM 1223 O ASP A 91 8.543 -0.904 -8.725 1.00 0.00 O ATOM 1224 CB ASP A 91 7.272 -2.275 -6.630 1.00 0.00 C ATOM 1225 CG ASP A 91 6.122 -1.336 -6.933 1.00 0.00 C ATOM 1226 OD1 ASP A 91 4.963 -1.706 -6.650 1.00 0.00 O ATOM 1227 OD2 ASP A 91 6.379 -0.230 -7.453 1.00 0.00 O ATOM 0 H ASP A 91 7.418 -0.222 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 91 9.272 -2.178 -5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.388 -2.980 -7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.035 -2.860 -5.741 1.00 0.00 H new ATOM 1232 N GLY A 92 10.544 -1.303 -7.783 1.00 0.00 N ATOM 1233 CA GLY A 92 11.274 -1.057 -9.008 1.00 0.00 C ATOM 1234 C GLY A 92 12.319 0.033 -8.870 1.00 0.00 C ATOM 1235 O GLY A 92 12.722 0.637 -9.864 1.00 0.00 O ATOM 0 H GLY A 92 11.125 -1.547 -6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.760 -1.980 -9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.571 -0.780 -9.793 1.00 0.00 H new ATOM 1239 N SER A 93 12.766 0.288 -7.643 1.00 0.00 N ATOM 1240 CA SER A 93 13.786 1.306 -7.414 1.00 0.00 C ATOM 1241 C SER A 93 15.106 0.666 -7.003 1.00 0.00 C ATOM 1242 O SER A 93 15.123 -0.360 -6.329 1.00 0.00 O ATOM 1243 CB SER A 93 13.327 2.298 -6.345 1.00 0.00 C ATOM 1244 OG SER A 93 11.916 2.300 -6.220 1.00 0.00 O ATOM 0 H SER A 93 12.443 -0.190 -6.802 1.00 0.00 H new ATOM 0 HA SER A 93 13.939 1.846 -8.349 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.779 2.040 -5.387 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.673 3.299 -6.601 1.00 0.00 H new ATOM 0 HG SER A 93 11.622 1.457 -5.816 1.00 0.00 H new ATOM 1250 N VAL A 94 16.212 1.270 -7.420 1.00 0.00 N ATOM 1251 CA VAL A 94 17.531 0.744 -7.098 1.00 0.00 C ATOM 1252 C VAL A 94 18.424 1.823 -6.493 1.00 0.00 C ATOM 1253 O VAL A 94 18.225 3.015 -6.724 1.00 0.00 O ATOM 1254 CB VAL A 94 18.216 0.152 -8.346 1.00 0.00 C ATOM 1255 CG1 VAL A 94 17.378 -0.976 -8.924 1.00 0.00 C ATOM 1256 CG2 VAL A 94 19.619 -0.338 -8.017 1.00 0.00 C ATOM 0 H VAL A 94 16.221 2.122 -7.980 1.00 0.00 H new ATOM 0 HA VAL A 94 17.388 -0.049 -6.364 1.00 0.00 H new ATOM 0 HB VAL A 94 18.302 0.940 -9.094 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.875 -1.384 -9.804 1.00 0.00 H new ATOM 0 HG12 VAL A 94 17.260 -1.761 -8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.397 -0.593 -9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 94 20.080 -0.751 -8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 94 20.219 0.495 -7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 94 19.564 -1.110 -7.249 1.00 0.00 H new ATOM 1266 N VAL A 95 19.414 1.389 -5.722 1.00 0.00 N ATOM 1267 CA VAL A 95 20.352 2.307 -5.084 1.00 0.00 C ATOM 1268 C VAL A 95 21.739 1.690 -4.982 1.00 0.00 C ATOM 1269 O VAL A 95 21.882 0.481 -4.806 1.00 0.00 O ATOM 1270 CB VAL A 95 19.882 2.709 -3.677 1.00 0.00 C ATOM 1271 CG1 VAL A 95 20.751 3.820 -3.113 1.00 0.00 C ATOM 1272 CG2 VAL A 95 18.425 3.132 -3.707 1.00 0.00 C ATOM 0 H VAL A 95 19.589 0.404 -5.523 1.00 0.00 H new ATOM 0 HA VAL A 95 20.395 3.197 -5.712 1.00 0.00 H new ATOM 0 HB VAL A 95 19.977 1.842 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 95 20.399 4.087 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 95 21.784 3.479 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 95 20.694 4.692 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.107 3.414 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 95 18.307 3.983 -4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 95 17.813 2.303 -4.062 1.00 0.00 H new ATOM 1282 N THR A 96 22.757 2.532 -5.090 1.00 0.00 N ATOM 1283 CA THR A 96 24.139 2.078 -5.011 1.00 0.00 C ATOM 1284 C THR A 96 24.727 2.369 -3.636 1.00 0.00 C ATOM 1285 O THR A 96 24.563 3.463 -3.098 1.00 0.00 O ATOM 1286 CB THR A 96 24.981 2.754 -6.094 1.00 0.00 C ATOM 1287 OG1 THR A 96 24.281 3.848 -6.662 1.00 0.00 O ATOM 1288 CG2 THR A 96 25.371 1.822 -7.220 1.00 0.00 C ATOM 0 H THR A 96 22.652 3.536 -5.233 1.00 0.00 H new ATOM 0 HA THR A 96 24.153 1.000 -5.171 1.00 0.00 H new ATOM 0 HB THR A 96 25.889 3.085 -5.590 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.836 4.269 -7.351 1.00 0.00 H new ATOM 0 HG21 THR A 96 25.967 2.366 -7.953 1.00 0.00 H new ATOM 0 HG22 THR A 96 25.956 0.993 -6.820 1.00 0.00 H new ATOM 0 HG23 THR A 96 24.472 1.434 -7.699 1.00 0.00 H new ATOM 1296 N TYR A 97 25.407 1.379 -3.072 1.00 0.00 N ATOM 1297 CA TYR A 97 26.020 1.525 -1.759 1.00 0.00 C ATOM 1298 C TYR A 97 27.484 1.925 -1.884 1.00 0.00 C ATOM 1299 O TYR A 97 28.109 1.713 -2.923 1.00 0.00 O ATOM 1300 CB TYR A 97 25.905 0.220 -0.973 1.00 0.00 C ATOM 1301 CG TYR A 97 24.610 0.076 -0.211 1.00 0.00 C ATOM 1302 CD1 TYR A 97 23.386 0.264 -0.840 1.00 0.00 C ATOM 1303 CD2 TYR A 97 24.610 -0.271 1.133 1.00 0.00 C ATOM 1304 CE1 TYR A 97 22.201 0.124 -0.150 1.00 0.00 C ATOM 1305 CE2 TYR A 97 23.427 -0.415 1.831 1.00 0.00 C ATOM 1306 CZ TYR A 97 22.224 -0.216 1.184 1.00 0.00 C ATOM 1307 OH TYR A 97 21.038 -0.357 1.871 1.00 0.00 O ATOM 0 H TYR A 97 25.548 0.466 -3.504 1.00 0.00 H new ATOM 0 HA TYR A 97 25.490 2.313 -1.224 1.00 0.00 H new ATOM 0 HB2 TYR A 97 26.004 -0.618 -1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 97 26.737 0.155 -0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 97 23.362 0.524 -1.888 1.00 0.00 H new ATOM 0 HD2 TYR A 97 25.550 -0.431 1.641 1.00 0.00 H new ATOM 0 HE1 TYR A 97 21.258 0.280 -0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 97 23.443 -0.682 2.877 1.00 0.00 H new ATOM 0 HH TYR A 97 21.036 0.242 2.646 1.00 0.00 H new ATOM 1317 N SER A 98 28.027 2.502 -0.818 1.00 0.00 N ATOM 1318 CA SER A 98 29.421 2.931 -0.816 1.00 0.00 C ATOM 1319 C SER A 98 30.000 2.933 0.595 1.00 0.00 C ATOM 1320 O SER A 98 29.334 3.331 1.550 1.00 0.00 O ATOM 1321 CB SER A 98 29.548 4.326 -1.428 1.00 0.00 C ATOM 1322 OG SER A 98 28.994 5.311 -0.573 1.00 0.00 O ATOM 0 H SER A 98 27.526 2.683 0.052 1.00 0.00 H new ATOM 0 HA SER A 98 29.987 2.219 -1.417 1.00 0.00 H new ATOM 0 HB2 SER A 98 30.598 4.551 -1.614 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.041 4.351 -2.393 1.00 0.00 H new ATOM 0 HG SER A 98 29.089 6.194 -0.987 1.00 0.00 H new ATOM 1328 N CYS A 99 31.252 2.500 0.713 1.00 0.00 N ATOM 1329 CA CYS A 99 31.928 2.460 2.004 1.00 0.00 C ATOM 1330 C CYS A 99 32.253 3.869 2.492 1.00 0.00 C ATOM 1331 O CYS A 99 32.434 4.787 1.693 1.00 0.00 O ATOM 1332 CB CYS A 99 33.207 1.630 1.907 1.00 0.00 C ATOM 1333 SG CYS A 99 32.935 -0.086 1.357 1.00 0.00 S ATOM 0 H CYS A 99 31.818 2.172 -0.070 1.00 0.00 H new ATOM 0 HA CYS A 99 31.256 1.993 2.725 1.00 0.00 H new ATOM 0 HB2 CYS A 99 33.893 2.118 1.215 1.00 0.00 H new ATOM 0 HB3 CYS A 99 33.694 1.616 2.882 1.00 0.00 H new ATOM 1338 N ASN A 100 32.329 4.030 3.810 1.00 0.00 N ATOM 1339 CA ASN A 100 32.596 5.327 4.409 1.00 0.00 C ATOM 1340 C ASN A 100 34.088 5.534 4.648 1.00 0.00 C ATOM 1341 O ASN A 100 34.683 6.508 4.186 1.00 0.00 O ATOM 1342 CB ASN A 100 31.788 5.450 5.714 1.00 0.00 C ATOM 1343 CG ASN A 100 32.512 5.030 6.984 1.00 0.00 C ATOM 1344 OD1 ASN A 100 33.291 5.795 7.552 1.00 0.00 O ATOM 1345 ND2 ASN A 100 32.255 3.807 7.432 1.00 0.00 N ATOM 0 H ASN A 100 32.208 3.273 4.483 1.00 0.00 H new ATOM 0 HA ASN A 100 32.283 6.113 3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 100 31.470 6.487 5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 100 30.884 4.848 5.618 1.00 0.00 H new ATOM 0 HD21 ASN A 100 32.711 3.468 8.279 1.00 0.00 H new ATOM 0 HD22 ASN A 100 31.602 3.206 6.929 1.00 0.00 H new ATOM 1352 N SER A 101 34.672 4.599 5.367 1.00 0.00 N ATOM 1353 CA SER A 101 36.089 4.656 5.712 1.00 0.00 C ATOM 1354 C SER A 101 36.977 4.331 4.513 1.00 0.00 C ATOM 1355 O SER A 101 38.182 4.582 4.540 1.00 0.00 O ATOM 1356 CB SER A 101 36.392 3.683 6.854 1.00 0.00 C ATOM 1357 OG SER A 101 37.717 3.847 7.328 1.00 0.00 O ATOM 0 H SER A 101 34.186 3.779 5.731 1.00 0.00 H new ATOM 0 HA SER A 101 36.309 5.676 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 101 35.688 3.845 7.670 1.00 0.00 H new ATOM 0 HB3 SER A 101 36.250 2.659 6.510 1.00 0.00 H new ATOM 0 HG SER A 101 38.292 4.149 6.594 1.00 0.00 H new ATOM 1363 N GLY A 102 36.385 3.765 3.466 1.00 0.00 N ATOM 1364 CA GLY A 102 37.153 3.400 2.291 1.00 0.00 C ATOM 1365 C GLY A 102 37.254 1.898 2.123 1.00 0.00 C ATOM 1366 O GLY A 102 38.187 1.394 1.498 1.00 0.00 O ATOM 0 H GLY A 102 35.389 3.553 3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 102 36.688 3.833 1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 102 38.154 3.825 2.366 1.00 0.00 H new ATOM 1370 N TYR A 103 36.285 1.185 2.685 1.00 0.00 N ATOM 1371 CA TYR A 103 36.255 -0.266 2.616 1.00 0.00 C ATOM 1372 C TYR A 103 35.962 -0.735 1.195 1.00 0.00 C ATOM 1373 O TYR A 103 35.927 0.066 0.260 1.00 0.00 O ATOM 1374 CB TYR A 103 35.197 -0.805 3.583 1.00 0.00 C ATOM 1375 CG TYR A 103 35.687 -0.924 5.008 1.00 0.00 C ATOM 1376 CD1 TYR A 103 35.493 0.109 5.916 1.00 0.00 C ATOM 1377 CD2 TYR A 103 36.347 -2.066 5.445 1.00 0.00 C ATOM 1378 CE1 TYR A 103 35.937 0.006 7.221 1.00 0.00 C ATOM 1379 CE2 TYR A 103 36.794 -2.177 6.748 1.00 0.00 C ATOM 1380 CZ TYR A 103 36.588 -1.138 7.631 1.00 0.00 C ATOM 1381 OH TYR A 103 37.032 -1.245 8.929 1.00 0.00 O ATOM 0 H TYR A 103 35.504 1.595 3.197 1.00 0.00 H new ATOM 0 HA TYR A 103 37.234 -0.651 2.903 1.00 0.00 H new ATOM 0 HB2 TYR A 103 34.327 -0.149 3.560 1.00 0.00 H new ATOM 0 HB3 TYR A 103 34.866 -1.785 3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 103 34.987 1.008 5.597 1.00 0.00 H new ATOM 0 HD2 TYR A 103 36.513 -2.880 4.755 1.00 0.00 H new ATOM 0 HE1 TYR A 103 35.775 0.817 7.915 1.00 0.00 H new ATOM 0 HE2 TYR A 103 37.302 -3.073 7.073 1.00 0.00 H new ATOM 0 HH TYR A 103 37.468 -2.113 9.055 1.00 0.00 H new ATOM 1391 N SER A 104 35.767 -2.037 1.039 1.00 0.00 N ATOM 1392 CA SER A 104 35.494 -2.618 -0.268 1.00 0.00 C ATOM 1393 C SER A 104 34.055 -3.108 -0.362 1.00 0.00 C ATOM 1394 O SER A 104 33.702 -4.147 0.198 1.00 0.00 O ATOM 1395 CB SER A 104 36.456 -3.774 -0.545 1.00 0.00 C ATOM 1396 OG SER A 104 37.669 -3.612 0.169 1.00 0.00 O ATOM 0 H SER A 104 35.793 -2.712 1.803 1.00 0.00 H new ATOM 0 HA SER A 104 35.641 -1.841 -1.018 1.00 0.00 H new ATOM 0 HB2 SER A 104 35.987 -4.717 -0.262 1.00 0.00 H new ATOM 0 HB3 SER A 104 36.664 -3.830 -1.613 1.00 0.00 H new ATOM 0 HG SER A 104 37.642 -4.153 0.986 1.00 0.00 H new ATOM 1402 N LEU A 105 33.234 -2.361 -1.094 1.00 0.00 N ATOM 1403 CA LEU A 105 31.835 -2.713 -1.299 1.00 0.00 C ATOM 1404 C LEU A 105 31.685 -4.193 -1.626 1.00 0.00 C ATOM 1405 O LEU A 105 32.151 -4.663 -2.664 1.00 0.00 O ATOM 1406 CB LEU A 105 31.257 -1.870 -2.433 1.00 0.00 C ATOM 1407 CG LEU A 105 29.897 -1.229 -2.154 1.00 0.00 C ATOM 1408 CD1 LEU A 105 29.861 -0.598 -0.771 1.00 0.00 C ATOM 1409 CD2 LEU A 105 28.782 -2.253 -2.310 1.00 0.00 C ATOM 0 H LEU A 105 33.519 -1.499 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 105 31.290 -2.512 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 105 31.968 -1.080 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 105 31.167 -2.498 -3.319 1.00 0.00 H new ATOM 0 HG LEU A 105 29.741 -0.436 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 105 28.882 -0.150 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 105 30.046 -1.363 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.629 0.172 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 105 27.822 -1.779 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 105 28.787 -2.644 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.938 -3.071 -1.607 1.00 0.00 H new ATOM 1421 N ILE A 106 31.058 -4.923 -0.718 1.00 0.00 N ATOM 1422 CA ILE A 106 30.849 -6.349 -0.894 1.00 0.00 C ATOM 1423 C ILE A 106 29.565 -6.607 -1.668 1.00 0.00 C ATOM 1424 O ILE A 106 28.672 -5.766 -1.699 1.00 0.00 O ATOM 1425 CB ILE A 106 30.793 -7.065 0.467 1.00 0.00 C ATOM 1426 CG1 ILE A 106 32.128 -6.905 1.191 1.00 0.00 C ATOM 1427 CG2 ILE A 106 30.450 -8.538 0.297 1.00 0.00 C ATOM 1428 CD1 ILE A 106 33.263 -7.662 0.535 1.00 0.00 C ATOM 0 H ILE A 106 30.683 -4.548 0.153 1.00 0.00 H new ATOM 0 HA ILE A 106 31.691 -6.746 -1.462 1.00 0.00 H new ATOM 0 HB ILE A 106 30.006 -6.608 1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 106 32.385 -5.847 1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 106 32.018 -7.249 2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 106 30.417 -9.019 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 106 29.478 -8.632 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 106 31.209 -9.020 -0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 106 34.181 -7.504 1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 106 33.027 -8.726 0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 106 33.399 -7.302 -0.485 1.00 0.00 H new ATOM 1440 N GLY A 107 29.483 -7.770 -2.298 1.00 0.00 N ATOM 1441 CA GLY A 107 28.313 -8.097 -3.084 1.00 0.00 C ATOM 1442 C GLY A 107 28.079 -7.089 -4.188 1.00 0.00 C ATOM 1443 O GLY A 107 29.004 -6.731 -4.918 1.00 0.00 O ATOM 0 H GLY A 107 30.204 -8.491 -2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 107 28.432 -9.090 -3.517 1.00 0.00 H new ATOM 0 HA3 GLY A 107 27.438 -8.135 -2.435 1.00 0.00 H new ATOM 1447 N ASN A 108 26.849 -6.609 -4.294 1.00 0.00 N ATOM 1448 CA ASN A 108 26.499 -5.629 -5.314 1.00 0.00 C ATOM 1449 C ASN A 108 26.051 -4.320 -4.674 1.00 0.00 C ATOM 1450 O ASN A 108 25.150 -4.305 -3.835 1.00 0.00 O ATOM 1451 CB ASN A 108 25.385 -6.164 -6.220 1.00 0.00 C ATOM 1452 CG ASN A 108 25.407 -7.675 -6.358 1.00 0.00 C ATOM 1453 OD1 ASN A 108 25.346 -8.401 -5.366 1.00 0.00 O ATOM 1454 ND2 ASN A 108 25.498 -8.155 -7.591 1.00 0.00 N ATOM 0 H ASN A 108 26.076 -6.881 -3.687 1.00 0.00 H new ATOM 0 HA ASN A 108 27.388 -5.443 -5.916 1.00 0.00 H new ATOM 0 HB2 ASN A 108 24.419 -5.855 -5.820 1.00 0.00 H new ATOM 0 HB3 ASN A 108 25.480 -5.713 -7.208 1.00 0.00 H new ATOM 0 HD21 ASN A 108 25.520 -9.163 -7.746 1.00 0.00 H new ATOM 0 HD22 ASN A 108 25.546 -7.516 -8.385 1.00 0.00 H new ATOM 1461 N SER A 109 26.683 -3.224 -5.076 1.00 0.00 N ATOM 1462 CA SER A 109 26.330 -1.907 -4.558 1.00 0.00 C ATOM 1463 C SER A 109 24.860 -1.613 -4.824 1.00 0.00 C ATOM 1464 O SER A 109 24.212 -0.885 -4.072 1.00 0.00 O ATOM 1465 CB SER A 109 27.211 -0.831 -5.193 1.00 0.00 C ATOM 1466 OG SER A 109 26.532 0.410 -5.272 1.00 0.00 O ATOM 0 H SER A 109 27.441 -3.220 -5.758 1.00 0.00 H new ATOM 0 HA SER A 109 26.498 -1.900 -3.481 1.00 0.00 H new ATOM 0 HB2 SER A 109 28.123 -0.712 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.512 -1.147 -6.192 1.00 0.00 H new ATOM 0 HG SER A 109 27.180 1.142 -5.210 1.00 0.00 H new ATOM 1472 N GLY A 110 24.339 -2.205 -5.891 1.00 0.00 N ATOM 1473 CA GLY A 110 22.951 -2.010 -6.249 1.00 0.00 C ATOM 1474 C GLY A 110 22.003 -2.757 -5.331 1.00 0.00 C ATOM 1475 O GLY A 110 22.198 -3.940 -5.055 1.00 0.00 O ATOM 0 H GLY A 110 24.858 -2.820 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 110 22.718 -0.946 -6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 110 22.794 -2.342 -7.275 1.00 0.00 H new ATOM 1479 N VAL A 111 20.974 -2.063 -4.859 1.00 0.00 N ATOM 1480 CA VAL A 111 19.974 -2.665 -3.985 1.00 0.00 C ATOM 1481 C VAL A 111 18.580 -2.463 -4.556 1.00 0.00 C ATOM 1482 O VAL A 111 18.191 -1.341 -4.866 1.00 0.00 O ATOM 1483 CB VAL A 111 20.021 -2.069 -2.575 1.00 0.00 C ATOM 1484 CG1 VAL A 111 19.228 -2.930 -1.602 1.00 0.00 C ATOM 1485 CG2 VAL A 111 21.459 -1.905 -2.112 1.00 0.00 C ATOM 0 H VAL A 111 20.810 -1.078 -5.068 1.00 0.00 H new ATOM 0 HA VAL A 111 20.202 -3.729 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 111 19.561 -1.081 -2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 111 19.274 -2.490 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 111 18.189 -2.984 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 111 19.653 -3.934 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 111 21.472 -1.480 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 111 21.951 -2.878 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 111 21.987 -1.239 -2.794 1.00 0.00 H new ATOM 1495 N LEU A 112 17.834 -3.550 -4.701 1.00 0.00 N ATOM 1496 CA LEU A 112 16.493 -3.475 -5.268 1.00 0.00 C ATOM 1497 C LEU A 112 15.471 -3.037 -4.227 1.00 0.00 C ATOM 1498 O LEU A 112 15.446 -3.553 -3.110 1.00 0.00 O ATOM 1499 CB LEU A 112 16.083 -4.833 -5.852 1.00 0.00 C ATOM 1500 CG LEU A 112 14.598 -4.985 -6.194 1.00 0.00 C ATOM 1501 CD1 LEU A 112 13.816 -5.326 -4.944 1.00 0.00 C ATOM 1502 CD2 LEU A 112 14.055 -3.722 -6.848 1.00 0.00 C ATOM 0 H LEU A 112 18.132 -4.489 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 112 16.514 -2.729 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 112 16.666 -5.010 -6.756 1.00 0.00 H new ATOM 0 HB3 LEU A 112 16.355 -5.612 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 112 14.487 -5.799 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.760 -5.433 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 112 14.187 -6.262 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 112 13.937 -4.529 -4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.999 -3.858 -7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 112 14.171 -2.880 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 112 14.606 -3.523 -7.767 1.00 0.00 H new ATOM 1514 N CYS A 113 14.598 -2.120 -4.624 1.00 0.00 N ATOM 1515 CA CYS A 113 13.530 -1.652 -3.758 1.00 0.00 C ATOM 1516 C CYS A 113 12.190 -2.188 -4.245 1.00 0.00 C ATOM 1517 O CYS A 113 11.683 -1.750 -5.284 1.00 0.00 O ATOM 1518 CB CYS A 113 13.476 -0.127 -3.736 1.00 0.00 C ATOM 1519 SG CYS A 113 12.077 0.544 -2.782 1.00 0.00 S ATOM 0 H CYS A 113 14.611 -1.685 -5.546 1.00 0.00 H new ATOM 0 HA CYS A 113 13.731 -2.015 -2.750 1.00 0.00 H new ATOM 0 HB2 CYS A 113 14.407 0.254 -3.316 1.00 0.00 H new ATOM 0 HB3 CYS A 113 13.415 0.240 -4.760 1.00 0.00 H new ATOM 1524 N SER A 114 11.625 -3.138 -3.506 1.00 0.00 N ATOM 1525 CA SER A 114 10.345 -3.729 -3.876 1.00 0.00 C ATOM 1526 C SER A 114 9.727 -4.484 -2.707 1.00 0.00 C ATOM 1527 O SER A 114 10.378 -5.320 -2.080 1.00 0.00 O ATOM 1528 CB SER A 114 10.520 -4.669 -5.070 1.00 0.00 C ATOM 1529 OG SER A 114 9.484 -4.489 -6.019 1.00 0.00 O ATOM 0 H SER A 114 12.033 -3.514 -2.650 1.00 0.00 H new ATOM 0 HA SER A 114 9.671 -2.919 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.485 -4.486 -5.542 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.525 -5.703 -4.725 1.00 0.00 H new ATOM 0 HG SER A 114 9.621 -5.100 -6.773 1.00 0.00 H new ATOM 1535 N GLY A 115 8.462 -4.191 -2.428 1.00 0.00 N ATOM 1536 CA GLY A 115 7.776 -4.843 -1.329 1.00 0.00 C ATOM 1537 C GLY A 115 8.006 -4.132 -0.013 1.00 0.00 C ATOM 1538 O GLY A 115 8.021 -4.759 1.047 1.00 0.00 O ATOM 0 H GLY A 115 7.900 -3.514 -2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.707 -4.879 -1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.120 -5.874 -1.248 1.00 0.00 H new ATOM 1542 N GLY A 116 8.184 -2.817 -0.081 1.00 0.00 N ATOM 1543 CA GLY A 116 8.438 -2.042 1.116 1.00 0.00 C ATOM 1544 C GLY A 116 9.737 -2.441 1.786 1.00 0.00 C ATOM 1545 O GLY A 116 9.942 -2.174 2.970 1.00 0.00 O ATOM 0 H GLY A 116 8.157 -2.275 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.472 -0.983 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.613 -2.175 1.816 1.00 0.00 H new ATOM 1549 N GLU A 117 10.617 -3.087 1.025 1.00 0.00 N ATOM 1550 CA GLU A 117 11.897 -3.533 1.552 1.00 0.00 C ATOM 1551 C GLU A 117 12.986 -3.447 0.494 1.00 0.00 C ATOM 1552 O GLU A 117 12.728 -3.095 -0.657 1.00 0.00 O ATOM 1553 CB GLU A 117 11.787 -4.972 2.052 1.00 0.00 C ATOM 1554 CG GLU A 117 11.614 -5.991 0.938 1.00 0.00 C ATOM 1555 CD GLU A 117 11.580 -7.417 1.450 1.00 0.00 C ATOM 1556 OE1 GLU A 117 10.650 -7.752 2.213 1.00 0.00 O ATOM 1557 OE2 GLU A 117 12.483 -8.199 1.086 1.00 0.00 O ATOM 0 H GLU A 117 10.464 -3.312 0.042 1.00 0.00 H new ATOM 0 HA GLU A 117 12.165 -2.877 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.682 -5.219 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 117 10.942 -5.047 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.690 -5.781 0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 117 12.431 -5.885 0.224 1.00 0.00 H new ATOM 1564 N TRP A 118 14.200 -3.798 0.891 1.00 0.00 N ATOM 1565 CA TRP A 118 15.340 -3.766 -0.006 1.00 0.00 C ATOM 1566 C TRP A 118 15.983 -5.145 -0.114 1.00 0.00 C ATOM 1567 O TRP A 118 16.022 -5.897 0.860 1.00 0.00 O ATOM 1568 CB TRP A 118 16.360 -2.756 0.500 1.00 0.00 C ATOM 1569 CG TRP A 118 15.897 -1.338 0.391 1.00 0.00 C ATOM 1570 CD1 TRP A 118 15.211 -0.628 1.331 1.00 0.00 C ATOM 1571 CD2 TRP A 118 16.095 -0.455 -0.717 1.00 0.00 C ATOM 1572 NE1 TRP A 118 14.974 0.646 0.877 1.00 0.00 N ATOM 1573 CE2 TRP A 118 15.505 0.776 -0.378 1.00 0.00 C ATOM 1574 CE3 TRP A 118 16.713 -0.586 -1.962 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 15.514 1.867 -1.239 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.728 0.501 -2.815 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.128 1.714 -2.451 1.00 0.00 C ATOM 0 H TRP A 118 14.419 -4.110 1.837 1.00 0.00 H new ATOM 0 HA TRP A 118 14.995 -3.470 -0.997 1.00 0.00 H new ATOM 0 HB2 TRP A 118 16.591 -2.976 1.542 1.00 0.00 H new ATOM 0 HB3 TRP A 118 17.286 -2.872 -0.063 1.00 0.00 H new ATOM 0 HD1 TRP A 118 14.900 -1.011 2.292 1.00 0.00 H new ATOM 0 HE1 TRP A 118 14.482 1.377 1.391 1.00 0.00 H new ATOM 0 HE3 TRP A 118 17.171 -1.520 -2.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 15.052 2.803 -0.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 17.210 0.414 -3.778 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.151 2.544 -3.141 1.00 0.00 H new ATOM 1588 N SER A 119 16.492 -5.471 -1.297 1.00 0.00 N ATOM 1589 CA SER A 119 17.112 -6.766 -1.523 1.00 0.00 C ATOM 1590 C SER A 119 18.529 -6.624 -2.072 1.00 0.00 C ATOM 1591 O SER A 119 18.938 -5.543 -2.502 1.00 0.00 O ATOM 1592 CB SER A 119 16.263 -7.590 -2.489 1.00 0.00 C ATOM 1593 OG SER A 119 14.954 -7.060 -2.598 1.00 0.00 O ATOM 0 H SER A 119 16.486 -4.856 -2.111 1.00 0.00 H new ATOM 0 HA SER A 119 17.174 -7.277 -0.562 1.00 0.00 H new ATOM 0 HB2 SER A 119 16.735 -7.605 -3.471 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.213 -8.623 -2.144 1.00 0.00 H new ATOM 0 HG SER A 119 14.351 -7.748 -2.948 1.00 0.00 H new ATOM 1599 N ASP A 120 19.262 -7.735 -2.054 1.00 0.00 N ATOM 1600 CA ASP A 120 20.633 -7.784 -2.554 1.00 0.00 C ATOM 1601 C ASP A 120 21.475 -6.615 -2.044 1.00 0.00 C ATOM 1602 O ASP A 120 22.144 -5.937 -2.824 1.00 0.00 O ATOM 1603 CB ASP A 120 20.649 -7.820 -4.086 1.00 0.00 C ATOM 1604 CG ASP A 120 19.894 -6.665 -4.714 1.00 0.00 C ATOM 1605 OD1 ASP A 120 18.646 -6.716 -4.742 1.00 0.00 O ATOM 1606 OD2 ASP A 120 20.550 -5.715 -5.187 1.00 0.00 O ATOM 0 H ASP A 120 18.922 -8.626 -1.692 1.00 0.00 H new ATOM 0 HA ASP A 120 21.080 -8.701 -2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.682 -7.803 -4.433 1.00 0.00 H new ATOM 0 HB3 ASP A 120 20.213 -8.759 -4.426 1.00 0.00 H new ATOM 1611 N PRO A 121 21.502 -6.400 -0.716 1.00 0.00 N ATOM 1612 CA PRO A 121 22.308 -5.343 -0.103 1.00 0.00 C ATOM 1613 C PRO A 121 23.767 -5.770 0.061 1.00 0.00 C ATOM 1614 O PRO A 121 24.052 -6.935 0.336 1.00 0.00 O ATOM 1615 CB PRO A 121 21.643 -5.153 1.256 1.00 0.00 C ATOM 1616 CG PRO A 121 21.106 -6.503 1.599 1.00 0.00 C ATOM 1617 CD PRO A 121 20.753 -7.173 0.292 1.00 0.00 C ATOM 0 HA PRO A 121 22.342 -4.434 -0.704 1.00 0.00 H new ATOM 0 HB2 PRO A 121 22.358 -4.808 2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 121 20.848 -4.409 1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 121 21.846 -7.087 2.146 1.00 0.00 H new ATOM 0 HG3 PRO A 121 20.229 -6.419 2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 121 21.046 -8.223 0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 121 19.680 -7.141 0.104 1.00 0.00 H new ATOM 1625 N PRO A 122 24.714 -4.833 -0.115 1.00 0.00 N ATOM 1626 CA PRO A 122 26.141 -5.124 -0.032 1.00 0.00 C ATOM 1627 C PRO A 122 26.725 -4.940 1.356 1.00 0.00 C ATOM 1628 O PRO A 122 26.012 -4.693 2.329 1.00 0.00 O ATOM 1629 CB PRO A 122 26.750 -4.094 -0.975 1.00 0.00 C ATOM 1630 CG PRO A 122 25.814 -2.927 -0.940 1.00 0.00 C ATOM 1631 CD PRO A 122 24.471 -3.427 -0.471 1.00 0.00 C ATOM 0 HA PRO A 122 26.343 -6.166 -0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 122 27.750 -3.806 -0.651 1.00 0.00 H new ATOM 0 HB3 PRO A 122 26.845 -4.493 -1.985 1.00 0.00 H new ATOM 0 HG2 PRO A 122 26.190 -2.156 -0.268 1.00 0.00 H new ATOM 0 HG3 PRO A 122 25.730 -2.475 -1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 122 24.110 -2.856 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 122 23.718 -3.339 -1.254 1.00 0.00 H new ATOM 1639 N THR A 123 28.044 -5.043 1.418 1.00 0.00 N ATOM 1640 CA THR A 123 28.782 -4.860 2.661 1.00 0.00 C ATOM 1641 C THR A 123 30.048 -4.056 2.404 1.00 0.00 C ATOM 1642 O THR A 123 30.270 -3.572 1.294 1.00 0.00 O ATOM 1643 CB THR A 123 29.133 -6.213 3.285 1.00 0.00 C ATOM 1644 OG1 THR A 123 28.302 -7.236 2.765 1.00 0.00 O ATOM 1645 CG2 THR A 123 28.998 -6.230 4.792 1.00 0.00 C ATOM 0 H THR A 123 28.632 -5.255 0.612 1.00 0.00 H new ATOM 0 HA THR A 123 28.150 -4.312 3.360 1.00 0.00 H new ATOM 0 HB THR A 123 30.178 -6.387 3.029 1.00 0.00 H new ATOM 0 HG1 THR A 123 28.543 -8.093 3.175 1.00 0.00 H new ATOM 0 HG21 THR A 123 29.261 -7.218 5.170 1.00 0.00 H new ATOM 0 HG22 THR A 123 29.666 -5.486 5.226 1.00 0.00 H new ATOM 0 HG23 THR A 123 27.969 -5.999 5.068 1.00 0.00 H new ATOM 1653 N CYS A 124 30.872 -3.907 3.431 1.00 0.00 N ATOM 1654 CA CYS A 124 32.108 -3.151 3.302 1.00 0.00 C ATOM 1655 C CYS A 124 33.237 -3.812 4.076 1.00 0.00 C ATOM 1656 O CYS A 124 33.374 -3.622 5.285 1.00 0.00 O ATOM 1657 CB CYS A 124 31.901 -1.717 3.788 1.00 0.00 C ATOM 1658 SG CYS A 124 31.169 -0.611 2.539 1.00 0.00 S ATOM 0 H CYS A 124 30.708 -4.298 4.359 1.00 0.00 H new ATOM 0 HA CYS A 124 32.387 -3.132 2.248 1.00 0.00 H new ATOM 0 HB2 CYS A 124 31.257 -1.732 4.668 1.00 0.00 H new ATOM 0 HB3 CYS A 124 32.861 -1.308 4.102 1.00 0.00 H new ATOM 1663 N GLN A 125 34.043 -4.591 3.367 1.00 0.00 N ATOM 1664 CA GLN A 125 35.162 -5.289 3.974 1.00 0.00 C ATOM 1665 C GLN A 125 36.471 -4.910 3.294 1.00 0.00 C ATOM 1666 O GLN A 125 36.475 -4.303 2.224 1.00 0.00 O ATOM 1667 CB GLN A 125 34.950 -6.799 3.882 1.00 0.00 C ATOM 1668 CG GLN A 125 34.032 -7.350 4.960 1.00 0.00 C ATOM 1669 CD GLN A 125 33.149 -8.475 4.454 1.00 0.00 C ATOM 1670 OE1 GLN A 125 33.318 -8.957 3.334 1.00 0.00 O ATOM 1671 NE2 GLN A 125 32.198 -8.897 5.280 1.00 0.00 N ATOM 0 H GLN A 125 33.939 -4.754 2.365 1.00 0.00 H new ATOM 0 HA GLN A 125 35.219 -4.996 5.022 1.00 0.00 H new ATOM 0 HB2 GLN A 125 34.534 -7.040 2.904 1.00 0.00 H new ATOM 0 HB3 GLN A 125 35.917 -7.298 3.949 1.00 0.00 H new ATOM 0 HG2 GLN A 125 34.633 -7.712 5.794 1.00 0.00 H new ATOM 0 HG3 GLN A 125 33.405 -6.546 5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 125 32.094 -8.468 6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 125 31.572 -9.650 4.995 1.00 0.00 H new ATOM 1680 N ILE A 126 37.578 -5.281 3.921 1.00 0.00 N ATOM 1681 CA ILE A 126 38.898 -4.985 3.382 1.00 0.00 C ATOM 1682 C ILE A 126 39.428 -6.158 2.563 1.00 0.00 C ATOM 1683 O ILE A 126 40.217 -6.966 3.053 1.00 0.00 O ATOM 1684 CB ILE A 126 39.895 -4.653 4.507 1.00 0.00 C ATOM 1685 CG1 ILE A 126 39.395 -3.453 5.314 1.00 0.00 C ATOM 1686 CG2 ILE A 126 41.281 -4.384 3.937 1.00 0.00 C ATOM 1687 CD1 ILE A 126 39.593 -2.120 4.622 1.00 0.00 C ATOM 0 H ILE A 126 37.588 -5.789 4.806 1.00 0.00 H new ATOM 0 HA ILE A 126 38.796 -4.115 2.733 1.00 0.00 H new ATOM 0 HB ILE A 126 39.969 -5.512 5.173 1.00 0.00 H new ATOM 0 HG12 ILE A 126 38.334 -3.587 5.526 1.00 0.00 H new ATOM 0 HG13 ILE A 126 39.911 -3.433 6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 126 41.970 -4.151 4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 126 41.633 -5.267 3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 126 41.234 -3.540 3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 126 39.213 -1.320 5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 126 40.655 -1.962 4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 126 39.053 -2.118 3.675 1.00 0.00 H new TER 1699 ILE A 126