USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 673 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 91 HIS : no HD1:sc= -4.48 K(o=-4.6,f=-2.9) USER MOD Set 1.2: A 97 ASN : amide:sc= -0.107 K(o=-4.6,f=-4) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.126 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 11 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 63 SER OG : rot -140:sc= 0 USER MOD Set 4.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= 0.451 USER MOD Set 5.2: A 10 ASN : amide:sc= 0.485 X(o=0.94,f=0.98) USER MOD Set 6.1: A 4 THR OG1 : rot 58:sc= 0.0807 USER MOD Set 6.2: A 103 SER OG : rot 180:sc= 0.769 USER MOD Set 7.1: A 1 PCA N :NH3+ -91:sc= 2.07 (180deg=-1.17) USER MOD Set 7.2: A 85 TYR OH : rot -119:sc= 0.0227 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 21 ASN : amide:sc=-0.00393 X(o=-0.0039,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.0118 K(o=-0.012,f=-1.5) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 29 ASN : amide:sc= -0.331 K(o=-0.33,f=-3.8!) USER MOD Single : A 32 THR OG1 : rot -170:sc= 0.00978 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -46:sc= 0.463 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -2.32 X(o=-2.3,f=-2) USER MOD Single : A 41 THR OG1 : rot 29:sc= 0.285 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.03! K(o=-2!,f=-0.38) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 45 TYR OH : rot -128:sc= 0.891 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0589 K(o=-0.059,f=-3.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -104:sc= 1.08 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.248 K(o=0.25,f=-0.86) USER MOD Single : A 81 THR OG1 : rot 92:sc= 2.14 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 116:sc= 0.243 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 105 THR OG1 : rot -170:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 5.096 13.916 -9.912 1.00 0.00 N HETATM 2 CA PCA A 1 4.672 12.937 -8.904 1.00 0.00 C HETATM 3 CB PCA A 1 5.439 11.647 -9.221 1.00 0.00 C HETATM 4 CG PCA A 1 5.674 11.698 -10.735 1.00 0.00 C HETATM 5 CD PCA A 1 5.702 13.194 -11.031 1.00 0.00 C HETATM 6 OE PCA A 1 6.025 13.674 -12.113 1.00 0.00 O HETATM 7 C PCA A 1 4.900 13.456 -7.490 1.00 0.00 C HETATM 8 O PCA A 1 4.936 14.662 -7.256 1.00 0.00 O HETATM 0 H2 PCA A 1 4.293 14.528 -10.161 1.00 0.00 H new HETATM 0 HA PCA A 1 3.600 12.747 -8.944 1.00 0.00 H new HETATM 0 HB2 PCA A 1 6.381 11.602 -8.675 1.00 0.00 H new HETATM 0 HB3 PCA A 1 4.864 10.765 -8.939 1.00 0.00 H new HETATM 0 HG2 PCA A 1 6.610 11.214 -11.014 1.00 0.00 H new HETATM 0 HG3 PCA A 1 4.879 11.193 -11.284 1.00 0.00 H new ATOM 15 N SER A 2 5.048 12.517 -6.560 1.00 0.00 N ATOM 16 CA SER A 2 5.303 12.771 -5.151 1.00 0.00 C ATOM 17 C SER A 2 6.783 13.117 -4.984 1.00 0.00 C ATOM 18 O SER A 2 7.614 12.680 -5.780 1.00 0.00 O ATOM 19 CB SER A 2 4.912 11.533 -4.338 1.00 0.00 C ATOM 20 OG SER A 2 5.664 10.405 -4.739 1.00 0.00 O ATOM 0 H SER A 2 4.991 11.522 -6.778 1.00 0.00 H new ATOM 0 HA SER A 2 4.708 13.609 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.074 11.724 -3.277 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.849 11.330 -4.466 1.00 0.00 H new ATOM 0 HG SER A 2 5.398 9.628 -4.205 1.00 0.00 H new ATOM 26 N ALA A 3 7.098 13.913 -3.951 1.00 0.00 N ATOM 27 CA ALA A 3 8.439 14.394 -3.642 1.00 0.00 C ATOM 28 C ALA A 3 8.853 15.307 -4.794 1.00 0.00 C ATOM 29 O ALA A 3 9.835 15.041 -5.486 1.00 0.00 O ATOM 30 CB ALA A 3 9.434 13.256 -3.372 1.00 0.00 C ATOM 0 H ALA A 3 6.397 14.247 -3.290 1.00 0.00 H new ATOM 0 HA ALA A 3 8.440 14.954 -2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.415 13.676 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.090 12.665 -2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.505 12.618 -4.253 1.00 0.00 H new ATOM 36 N THR A 4 8.087 16.392 -4.971 1.00 0.00 N ATOM 37 CA THR A 4 8.271 17.376 -6.024 1.00 0.00 C ATOM 38 C THR A 4 8.828 18.677 -5.454 1.00 0.00 C ATOM 39 O THR A 4 8.382 19.143 -4.412 1.00 0.00 O ATOM 40 CB THR A 4 6.933 17.573 -6.765 1.00 0.00 C ATOM 41 OG1 THR A 4 7.191 18.092 -8.049 1.00 0.00 O ATOM 42 CG2 THR A 4 5.913 18.482 -6.056 1.00 0.00 C ATOM 0 H THR A 4 7.299 16.608 -4.360 1.00 0.00 H new ATOM 0 HA THR A 4 9.006 17.022 -6.746 1.00 0.00 H new ATOM 0 HB THR A 4 6.472 16.586 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.778 17.478 -8.538 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.008 18.554 -6.660 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.666 18.061 -5.081 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.341 19.476 -5.924 1.00 0.00 H new ATOM 50 N THR A 5 9.817 19.261 -6.134 1.00 0.00 N ATOM 51 CA THR A 5 10.454 20.497 -5.778 1.00 0.00 C ATOM 52 C THR A 5 9.988 21.460 -6.864 1.00 0.00 C ATOM 53 O THR A 5 10.409 21.347 -8.014 1.00 0.00 O ATOM 54 CB THR A 5 11.965 20.228 -5.727 1.00 0.00 C ATOM 55 OG1 THR A 5 12.312 19.802 -4.426 1.00 0.00 O ATOM 56 CG2 THR A 5 12.785 21.448 -6.114 1.00 0.00 C ATOM 0 H THR A 5 10.202 18.853 -6.986 1.00 0.00 H new ATOM 0 HA THR A 5 10.208 20.922 -4.805 1.00 0.00 H new ATOM 0 HB THR A 5 12.194 19.450 -6.456 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.275 19.627 -4.385 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.846 21.205 -6.062 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.532 21.749 -7.130 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.566 22.266 -5.428 1.00 0.00 H new ATOM 64 N CYS A 6 9.106 22.397 -6.497 1.00 0.00 N ATOM 65 CA CYS A 6 8.567 23.365 -7.433 1.00 0.00 C ATOM 66 C CYS A 6 9.403 24.642 -7.370 1.00 0.00 C ATOM 67 O CYS A 6 9.081 25.584 -6.646 1.00 0.00 O ATOM 68 CB CYS A 6 7.059 23.559 -7.210 1.00 0.00 C ATOM 69 SG CYS A 6 6.121 23.565 -8.761 1.00 0.00 S ATOM 0 H CYS A 6 8.753 22.498 -5.545 1.00 0.00 H new ATOM 0 HA CYS A 6 8.644 23.002 -8.458 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.685 22.763 -6.567 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.891 24.499 -6.684 1.00 0.00 H new ATOM 74 N GLY A 7 10.498 24.647 -8.144 1.00 0.00 N ATOM 75 CA GLY A 7 11.438 25.750 -8.221 1.00 0.00 C ATOM 76 C GLY A 7 12.225 25.821 -6.917 1.00 0.00 C ATOM 77 O GLY A 7 13.112 25.001 -6.684 1.00 0.00 O ATOM 0 H GLY A 7 10.751 23.861 -8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.116 25.609 -9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.907 26.686 -8.392 1.00 0.00 H new ATOM 81 N SER A 8 11.885 26.800 -6.071 1.00 0.00 N ATOM 82 CA SER A 8 12.505 27.020 -4.774 1.00 0.00 C ATOM 83 C SER A 8 11.695 26.326 -3.677 1.00 0.00 C ATOM 84 O SER A 8 12.272 25.672 -2.809 1.00 0.00 O ATOM 85 CB SER A 8 12.635 28.526 -4.513 1.00 0.00 C ATOM 86 OG SER A 8 11.376 29.166 -4.569 1.00 0.00 O ATOM 0 H SER A 8 11.150 27.475 -6.282 1.00 0.00 H new ATOM 0 HA SER A 8 13.505 26.587 -4.769 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.086 28.690 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.304 28.969 -5.251 1.00 0.00 H new ATOM 0 HG SER A 8 11.488 30.124 -4.397 1.00 0.00 H new ATOM 92 N THR A 9 10.363 26.463 -3.722 1.00 0.00 N ATOM 93 CA THR A 9 9.456 25.884 -2.745 1.00 0.00 C ATOM 94 C THR A 9 9.418 24.361 -2.895 1.00 0.00 C ATOM 95 O THR A 9 8.887 23.842 -3.877 1.00 0.00 O ATOM 96 CB THR A 9 8.062 26.513 -2.888 1.00 0.00 C ATOM 97 OG1 THR A 9 8.174 27.921 -2.949 1.00 0.00 O ATOM 98 CG2 THR A 9 7.196 26.147 -1.679 1.00 0.00 C ATOM 0 H THR A 9 9.886 26.990 -4.454 1.00 0.00 H new ATOM 0 HA THR A 9 9.815 26.102 -1.739 1.00 0.00 H new ATOM 0 HB THR A 9 7.603 26.135 -3.802 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.282 28.316 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.209 26.597 -1.789 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.096 25.063 -1.618 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.666 26.520 -0.769 1.00 0.00 H new ATOM 106 N ASN A 10 9.979 23.657 -1.904 1.00 0.00 N ATOM 107 CA ASN A 10 10.064 22.204 -1.865 1.00 0.00 C ATOM 108 C ASN A 10 8.781 21.593 -1.296 1.00 0.00 C ATOM 109 O ASN A 10 8.125 22.208 -0.455 1.00 0.00 O ATOM 110 CB ASN A 10 11.283 21.798 -1.028 1.00 0.00 C ATOM 111 CG ASN A 10 12.567 22.480 -1.505 1.00 0.00 C ATOM 112 OD1 ASN A 10 13.123 23.318 -0.798 1.00 0.00 O ATOM 113 ND2 ASN A 10 13.038 22.132 -2.706 1.00 0.00 N ATOM 0 H ASN A 10 10.396 24.102 -1.087 1.00 0.00 H new ATOM 0 HA ASN A 10 10.180 21.823 -2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.105 22.053 0.017 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.409 20.716 -1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.888 22.566 -3.066 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.548 21.432 -3.263 1.00 0.00 H new ATOM 120 N TYR A 11 8.423 20.385 -1.763 1.00 0.00 N ATOM 121 CA TYR A 11 7.242 19.654 -1.319 1.00 0.00 C ATOM 122 C TYR A 11 7.526 18.154 -1.225 1.00 0.00 C ATOM 123 O TYR A 11 7.739 17.487 -2.235 1.00 0.00 O ATOM 124 CB TYR A 11 6.041 19.927 -2.233 1.00 0.00 C ATOM 125 CG TYR A 11 5.520 21.347 -2.169 1.00 0.00 C ATOM 126 CD1 TYR A 11 4.913 21.801 -0.987 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.641 22.212 -3.272 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.414 23.109 -0.907 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.137 23.522 -3.194 1.00 0.00 C ATOM 130 CZ TYR A 11 4.513 23.968 -2.015 1.00 0.00 C ATOM 131 OH TYR A 11 4.012 25.234 -1.932 1.00 0.00 O ATOM 0 H TYR A 11 8.961 19.887 -2.472 1.00 0.00 H new ATOM 0 HA TYR A 11 6.989 20.012 -0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.323 19.702 -3.261 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.234 19.244 -1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.830 21.140 -0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.120 21.870 -4.177 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.954 23.456 0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.229 24.187 -4.040 1.00 0.00 H new ATOM 0 HH TYR A 11 4.068 25.548 -1.005 1.00 0.00 H new ATOM 141 N SER A 12 7.512 17.635 0.008 1.00 0.00 N ATOM 142 CA SER A 12 7.728 16.237 0.346 1.00 0.00 C ATOM 143 C SER A 12 6.613 15.381 -0.211 1.00 0.00 C ATOM 144 O SER A 12 5.523 15.881 -0.480 1.00 0.00 O ATOM 145 CB SER A 12 7.759 16.112 1.875 1.00 0.00 C ATOM 146 OG SER A 12 7.918 14.767 2.276 1.00 0.00 O ATOM 0 H SER A 12 7.341 18.212 0.832 1.00 0.00 H new ATOM 0 HA SER A 12 8.670 15.896 -0.084 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.576 16.712 2.275 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.836 16.512 2.294 1.00 0.00 H new ATOM 0 HG SER A 12 7.936 14.717 3.255 1.00 0.00 H new ATOM 152 N ALA A 13 6.898 14.084 -0.390 1.00 0.00 N ATOM 153 CA ALA A 13 5.901 13.131 -0.841 1.00 0.00 C ATOM 154 C ALA A 13 4.748 13.166 0.165 1.00 0.00 C ATOM 155 O ALA A 13 3.644 12.745 -0.162 1.00 0.00 O ATOM 156 CB ALA A 13 6.508 11.728 -0.917 1.00 0.00 C ATOM 0 H ALA A 13 7.819 13.679 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 13 5.542 13.388 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.750 11.022 -1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.342 11.730 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.864 11.432 0.070 1.00 0.00 H new ATOM 162 N SER A 14 5.016 13.683 1.377 1.00 0.00 N ATOM 163 CA SER A 14 4.044 13.817 2.448 1.00 0.00 C ATOM 164 C SER A 14 3.080 14.960 2.113 1.00 0.00 C ATOM 165 O SER A 14 1.872 14.809 2.270 1.00 0.00 O ATOM 166 CB SER A 14 4.773 14.085 3.769 1.00 0.00 C ATOM 167 OG SER A 14 5.687 13.044 4.043 1.00 0.00 O ATOM 0 H SER A 14 5.942 14.025 1.634 1.00 0.00 H new ATOM 0 HA SER A 14 3.471 12.896 2.552 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.301 15.037 3.714 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.051 14.167 4.581 1.00 0.00 H new ATOM 0 HG SER A 14 6.148 13.227 4.888 1.00 0.00 H new ATOM 173 N GLN A 15 3.620 16.095 1.641 1.00 0.00 N ATOM 174 CA GLN A 15 2.864 17.289 1.287 1.00 0.00 C ATOM 175 C GLN A 15 2.055 17.105 0.004 1.00 0.00 C ATOM 176 O GLN A 15 0.892 17.500 -0.050 1.00 0.00 O ATOM 177 CB GLN A 15 3.804 18.496 1.188 1.00 0.00 C ATOM 178 CG GLN A 15 4.420 18.828 2.553 1.00 0.00 C ATOM 179 CD GLN A 15 5.239 20.115 2.496 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.683 21.209 2.568 1.00 0.00 O ATOM 181 NE2 GLN A 15 6.563 19.990 2.375 1.00 0.00 N ATOM 0 H GLN A 15 4.624 16.202 1.494 1.00 0.00 H new ATOM 0 HA GLN A 15 2.140 17.472 2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.596 18.286 0.469 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.254 19.360 0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.629 18.931 3.296 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.056 18.004 2.877 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.985 19.063 2.318 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.153 20.822 2.339 1.00 0.00 H new ATOM 190 N VAL A 16 2.672 16.507 -1.022 1.00 0.00 N ATOM 191 CA VAL A 16 2.034 16.246 -2.310 1.00 0.00 C ATOM 192 C VAL A 16 0.807 15.355 -2.065 1.00 0.00 C ATOM 193 O VAL A 16 -0.294 15.675 -2.509 1.00 0.00 O ATOM 194 CB VAL A 16 2.987 15.567 -3.308 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.263 15.355 -4.641 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.202 16.460 -3.567 1.00 0.00 C ATOM 0 H VAL A 16 3.640 16.188 -0.977 1.00 0.00 H new ATOM 0 HA VAL A 16 1.743 17.198 -2.753 1.00 0.00 H new ATOM 0 HB VAL A 16 3.308 14.614 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.938 14.874 -5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.390 14.722 -4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.946 16.318 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.870 15.969 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.872 17.413 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.731 16.635 -2.630 1.00 0.00 H new ATOM 206 N ARG A 17 1.025 14.247 -1.339 1.00 0.00 N ATOM 207 CA ARG A 17 0.042 13.229 -0.989 1.00 0.00 C ATOM 208 C ARG A 17 -1.062 13.769 -0.094 1.00 0.00 C ATOM 209 O ARG A 17 -2.222 13.436 -0.310 1.00 0.00 O ATOM 210 CB ARG A 17 0.768 12.074 -0.284 1.00 0.00 C ATOM 211 CG ARG A 17 -0.111 10.952 0.288 1.00 0.00 C ATOM 212 CD ARG A 17 -0.705 11.289 1.669 1.00 0.00 C ATOM 213 NE ARG A 17 -0.692 10.127 2.567 1.00 0.00 N ATOM 214 CZ ARG A 17 -1.469 9.037 2.449 1.00 0.00 C ATOM 215 NH1 ARG A 17 -2.380 8.935 1.469 1.00 0.00 N ATOM 216 NH2 ARG A 17 -1.325 8.034 3.329 1.00 0.00 N ATOM 0 H ARG A 17 1.948 14.032 -0.962 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.436 12.887 -1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.468 11.630 -0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.360 12.491 0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.923 10.745 -0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.481 10.040 0.367 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.137 12.103 2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.729 11.643 1.548 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.036 10.149 3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.492 9.693 0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.960 8.099 1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.633 8.105 4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.908 7.200 3.252 1.00 0.00 H new ATOM 230 N ALA A 18 -0.717 14.596 0.900 1.00 0.00 N ATOM 231 CA ALA A 18 -1.706 15.137 1.827 1.00 0.00 C ATOM 232 C ALA A 18 -2.673 16.055 1.088 1.00 0.00 C ATOM 233 O ALA A 18 -3.889 15.861 1.142 1.00 0.00 O ATOM 234 CB ALA A 18 -1.018 15.858 2.990 1.00 0.00 C ATOM 0 H ALA A 18 0.239 14.902 1.079 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.283 14.314 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.772 16.254 3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.379 15.156 3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.412 16.677 2.603 1.00 0.00 H new ATOM 240 N ALA A 19 -2.116 17.048 0.387 1.00 0.00 N ATOM 241 CA ALA A 19 -2.889 18.022 -0.366 1.00 0.00 C ATOM 242 C ALA A 19 -3.740 17.355 -1.444 1.00 0.00 C ATOM 243 O ALA A 19 -4.848 17.818 -1.730 1.00 0.00 O ATOM 244 CB ALA A 19 -1.950 19.069 -0.964 1.00 0.00 C ATOM 0 H ALA A 19 -1.108 17.193 0.330 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.581 18.518 0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.531 19.799 -1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.412 19.575 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.237 18.581 -1.628 1.00 0.00 H new ATOM 250 N ALA A 20 -3.228 16.262 -2.029 1.00 0.00 N ATOM 251 CA ALA A 20 -3.930 15.543 -3.074 1.00 0.00 C ATOM 252 C ALA A 20 -5.050 14.679 -2.529 1.00 0.00 C ATOM 253 O ALA A 20 -6.148 14.688 -3.081 1.00 0.00 O ATOM 254 CB ALA A 20 -2.947 14.757 -3.946 1.00 0.00 C ATOM 0 H ALA A 20 -2.321 15.863 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.416 16.279 -3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.495 14.225 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.239 15.445 -4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.406 14.040 -3.329 1.00 0.00 H new ATOM 260 N ASN A 21 -4.778 13.946 -1.450 1.00 0.00 N ATOM 261 CA ASN A 21 -5.757 13.104 -0.790 1.00 0.00 C ATOM 262 C ASN A 21 -6.900 13.982 -0.266 1.00 0.00 C ATOM 263 O ASN A 21 -8.011 13.488 -0.067 1.00 0.00 O ATOM 264 CB ASN A 21 -5.056 12.356 0.353 1.00 0.00 C ATOM 265 CG ASN A 21 -6.009 11.474 1.155 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.252 10.327 0.788 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.544 12.009 2.258 1.00 0.00 N ATOM 0 H ASN A 21 -3.858 13.925 -1.009 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.180 12.375 -1.481 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.257 11.739 -0.059 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.588 13.079 1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.183 11.460 2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.313 12.966 2.524 1.00 0.00 H new ATOM 274 N ALA A 22 -6.641 15.287 -0.066 1.00 0.00 N ATOM 275 CA ALA A 22 -7.653 16.187 0.469 1.00 0.00 C ATOM 276 C ALA A 22 -8.623 16.496 -0.660 1.00 0.00 C ATOM 277 O ALA A 22 -9.793 16.120 -0.591 1.00 0.00 O ATOM 278 CB ALA A 22 -6.998 17.435 1.056 1.00 0.00 C ATOM 0 H ALA A 22 -5.744 15.730 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.204 15.731 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.767 18.098 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.320 17.146 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.439 17.953 0.277 1.00 0.00 H new ATOM 284 N ALA A 23 -8.107 17.191 -1.682 1.00 0.00 N ATOM 285 CA ALA A 23 -8.840 17.553 -2.894 1.00 0.00 C ATOM 286 C ALA A 23 -9.668 16.375 -3.435 1.00 0.00 C ATOM 287 O ALA A 23 -10.848 16.523 -3.745 1.00 0.00 O ATOM 288 CB ALA A 23 -7.821 17.940 -3.959 1.00 0.00 C ATOM 0 H ALA A 23 -7.143 17.524 -1.685 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.520 18.371 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.341 18.216 -4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.231 18.787 -3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.161 17.095 -4.155 1.00 0.00 H new ATOM 294 N CYS A 24 -9.014 15.210 -3.542 1.00 0.00 N ATOM 295 CA CYS A 24 -9.568 13.950 -4.012 1.00 0.00 C ATOM 296 C CYS A 24 -10.821 13.555 -3.238 1.00 0.00 C ATOM 297 O CYS A 24 -11.849 13.276 -3.851 1.00 0.00 O ATOM 298 CB CYS A 24 -8.497 12.860 -3.889 1.00 0.00 C ATOM 299 SG CYS A 24 -9.101 11.153 -3.945 1.00 0.00 S ATOM 0 H CYS A 24 -8.030 15.126 -3.287 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.863 14.069 -5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.773 12.996 -4.692 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.963 13.006 -2.950 1.00 0.00 H new ATOM 304 N GLN A 25 -10.739 13.542 -1.902 1.00 0.00 N ATOM 305 CA GLN A 25 -11.846 13.161 -1.041 1.00 0.00 C ATOM 306 C GLN A 25 -13.067 14.051 -1.281 1.00 0.00 C ATOM 307 O GLN A 25 -14.190 13.556 -1.316 1.00 0.00 O ATOM 308 CB GLN A 25 -11.377 13.228 0.420 1.00 0.00 C ATOM 309 CG GLN A 25 -12.351 12.572 1.407 1.00 0.00 C ATOM 310 CD GLN A 25 -12.299 11.043 1.395 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.674 10.430 0.532 1.00 0.00 O ATOM 312 NE2 GLN A 25 -12.961 10.420 2.373 1.00 0.00 N ATOM 0 H GLN A 25 -9.893 13.799 -1.393 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.155 12.142 -1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.405 12.742 0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.236 14.272 0.700 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.129 12.927 2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.365 12.894 1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.469 10.963 3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.959 9.401 2.422 1.00 0.00 H new ATOM 321 N TYR A 26 -12.838 15.357 -1.461 1.00 0.00 N ATOM 322 CA TYR A 26 -13.892 16.340 -1.675 1.00 0.00 C ATOM 323 C TYR A 26 -14.573 16.231 -3.047 1.00 0.00 C ATOM 324 O TYR A 26 -15.791 16.399 -3.114 1.00 0.00 O ATOM 325 CB TYR A 26 -13.325 17.753 -1.492 1.00 0.00 C ATOM 326 CG TYR A 26 -12.772 18.097 -0.121 1.00 0.00 C ATOM 327 CD1 TYR A 26 -13.564 17.945 1.033 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.458 18.587 -0.002 1.00 0.00 C ATOM 329 CE1 TYR A 26 -13.038 18.265 2.296 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.929 18.900 1.261 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.718 18.735 2.412 1.00 0.00 C ATOM 332 OH TYR A 26 -11.205 19.036 3.640 1.00 0.00 O ATOM 0 H TYR A 26 -11.901 15.760 -1.461 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.662 16.132 -0.932 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -12.531 17.898 -2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -14.112 18.468 -1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.577 17.582 0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.853 18.723 -0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.649 18.150 3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.917 19.267 1.347 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.281 19.346 3.541 1.00 0.00 H new ATOM 342 N TYR A 27 -13.821 15.939 -4.126 1.00 0.00 N ATOM 343 CA TYR A 27 -14.367 15.860 -5.487 1.00 0.00 C ATOM 344 C TYR A 27 -14.838 14.447 -5.848 1.00 0.00 C ATOM 345 O TYR A 27 -14.915 14.089 -7.023 1.00 0.00 O ATOM 346 CB TYR A 27 -13.386 16.426 -6.536 1.00 0.00 C ATOM 347 CG TYR A 27 -13.967 16.865 -7.886 1.00 0.00 C ATOM 348 CD1 TYR A 27 -15.352 16.804 -8.162 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.100 17.351 -8.887 1.00 0.00 C ATOM 350 CE1 TYR A 27 -15.855 17.220 -9.406 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.610 17.763 -10.133 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.984 17.700 -10.394 1.00 0.00 C ATOM 353 OH TYR A 27 -15.467 18.105 -11.604 1.00 0.00 O ATOM 0 H TYR A 27 -12.820 15.752 -4.074 1.00 0.00 H new ATOM 0 HA TYR A 27 -15.253 16.495 -5.502 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.879 17.283 -6.094 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.625 15.669 -6.728 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.031 16.434 -7.408 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.038 17.407 -8.696 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.916 17.170 -9.602 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.936 18.130 -10.893 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.725 18.409 -12.167 1.00 0.00 H new ATOM 363 N GLN A 28 -15.140 13.640 -4.828 1.00 0.00 N ATOM 364 CA GLN A 28 -15.645 12.281 -4.976 1.00 0.00 C ATOM 365 C GLN A 28 -17.106 12.237 -4.534 1.00 0.00 C ATOM 366 O GLN A 28 -17.948 11.711 -5.261 1.00 0.00 O ATOM 367 CB GLN A 28 -14.760 11.297 -4.205 1.00 0.00 C ATOM 368 CG GLN A 28 -13.579 10.880 -5.092 1.00 0.00 C ATOM 369 CD GLN A 28 -12.528 10.068 -4.333 1.00 0.00 C ATOM 370 OE1 GLN A 28 -12.369 10.219 -3.123 1.00 0.00 O ATOM 371 NE2 GLN A 28 -11.801 9.201 -5.045 1.00 0.00 N ATOM 0 H GLN A 28 -15.036 13.925 -3.854 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.607 11.976 -6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.396 11.759 -3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.339 10.421 -3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.950 10.292 -5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.111 11.771 -5.510 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.962 9.103 -6.048 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.086 8.637 -4.586 1.00 0.00 H new ATOM 380 N ASN A 29 -17.415 12.794 -3.355 1.00 0.00 N ATOM 381 CA ASN A 29 -18.772 12.839 -2.819 1.00 0.00 C ATOM 382 C ASN A 29 -19.646 13.871 -3.543 1.00 0.00 C ATOM 383 O ASN A 29 -20.824 13.598 -3.762 1.00 0.00 O ATOM 384 CB ASN A 29 -18.748 13.076 -1.304 1.00 0.00 C ATOM 385 CG ASN A 29 -17.939 14.306 -0.895 1.00 0.00 C ATOM 386 OD1 ASN A 29 -18.335 15.434 -1.167 1.00 0.00 O ATOM 387 ND2 ASN A 29 -16.801 14.095 -0.232 1.00 0.00 N ATOM 0 H ASN A 29 -16.721 13.228 -2.746 1.00 0.00 H new ATOM 0 HA ASN A 29 -19.230 11.867 -3.000 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.771 13.187 -0.945 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -18.332 12.197 -0.813 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.230 14.886 0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.502 13.143 -0.023 1.00 0.00 H new ATOM 394 N ASP A 30 -19.060 15.031 -3.890 1.00 0.00 N ATOM 395 CA ASP A 30 -19.627 16.199 -4.569 1.00 0.00 C ATOM 396 C ASP A 30 -19.785 17.372 -3.599 1.00 0.00 C ATOM 397 O ASP A 30 -20.897 17.715 -3.200 1.00 0.00 O ATOM 398 CB ASP A 30 -20.915 15.934 -5.375 1.00 0.00 C ATOM 399 CG ASP A 30 -20.739 14.885 -6.476 1.00 0.00 C ATOM 400 OD1 ASP A 30 -19.623 14.813 -7.038 1.00 0.00 O ATOM 401 OD2 ASP A 30 -21.732 14.176 -6.746 1.00 0.00 O ATOM 0 H ASP A 30 -18.074 15.184 -3.677 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.896 16.468 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.700 15.606 -4.694 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.252 16.868 -5.824 1.00 0.00 H new ATOM 406 N ASP A 31 -18.651 17.979 -3.224 1.00 0.00 N ATOM 407 CA ASP A 31 -18.557 19.134 -2.341 1.00 0.00 C ATOM 408 C ASP A 31 -17.294 19.902 -2.720 1.00 0.00 C ATOM 409 O ASP A 31 -16.244 19.303 -2.946 1.00 0.00 O ATOM 410 CB ASP A 31 -18.520 18.732 -0.859 1.00 0.00 C ATOM 411 CG ASP A 31 -19.900 18.360 -0.318 1.00 0.00 C ATOM 412 OD1 ASP A 31 -20.781 19.246 -0.352 1.00 0.00 O ATOM 413 OD2 ASP A 31 -20.056 17.203 0.128 1.00 0.00 O ATOM 0 H ASP A 31 -17.738 17.659 -3.546 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.444 19.755 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -17.844 17.887 -0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.114 19.556 -0.273 1.00 0.00 H new ATOM 418 N THR A 32 -17.402 21.233 -2.790 1.00 0.00 N ATOM 419 CA THR A 32 -16.302 22.107 -3.157 1.00 0.00 C ATOM 420 C THR A 32 -15.361 22.359 -1.980 1.00 0.00 C ATOM 421 O THR A 32 -14.170 22.077 -2.086 1.00 0.00 O ATOM 422 CB THR A 32 -16.843 23.423 -3.736 1.00 0.00 C ATOM 423 OG1 THR A 32 -17.798 24.009 -2.876 1.00 0.00 O ATOM 424 CG2 THR A 32 -17.485 23.198 -5.109 1.00 0.00 C ATOM 0 H THR A 32 -18.269 21.731 -2.590 1.00 0.00 H new ATOM 0 HA THR A 32 -15.714 21.607 -3.927 1.00 0.00 H new ATOM 0 HB THR A 32 -15.992 24.097 -3.839 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.238 24.754 -3.335 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.859 24.146 -5.495 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.742 22.794 -5.796 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.311 22.494 -5.013 1.00 0.00 H new ATOM 432 N ALA A 33 -15.887 22.876 -0.860 1.00 0.00 N ATOM 433 CA ALA A 33 -15.117 23.209 0.333 1.00 0.00 C ATOM 434 C ALA A 33 -14.086 24.267 -0.052 1.00 0.00 C ATOM 435 O ALA A 33 -12.920 23.977 -0.312 1.00 0.00 O ATOM 436 CB ALA A 33 -14.500 21.984 0.998 1.00 0.00 C ATOM 0 H ALA A 33 -16.882 23.076 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 33 -15.781 23.617 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.939 22.293 1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.290 21.294 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.829 21.488 0.296 1.00 0.00 H new ATOM 442 N GLY A 34 -14.572 25.507 -0.063 1.00 0.00 N ATOM 443 CA GLY A 34 -13.859 26.720 -0.430 1.00 0.00 C ATOM 444 C GLY A 34 -14.759 27.497 -1.390 1.00 0.00 C ATOM 445 O GLY A 34 -14.965 28.697 -1.218 1.00 0.00 O ATOM 0 H GLY A 34 -15.538 25.699 0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.633 27.316 0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.907 26.479 -0.904 1.00 0.00 H new ATOM 449 N SER A 35 -15.282 26.790 -2.401 1.00 0.00 N ATOM 450 CA SER A 35 -16.190 27.291 -3.423 1.00 0.00 C ATOM 451 C SER A 35 -15.630 28.474 -4.218 1.00 0.00 C ATOM 452 O SER A 35 -16.142 29.586 -4.113 1.00 0.00 O ATOM 453 CB SER A 35 -17.562 27.584 -2.797 1.00 0.00 C ATOM 454 OG SER A 35 -18.502 27.884 -3.806 1.00 0.00 O ATOM 0 H SER A 35 -15.067 25.801 -2.528 1.00 0.00 H new ATOM 0 HA SER A 35 -16.312 26.507 -4.170 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.899 26.722 -2.220 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.482 28.421 -2.103 1.00 0.00 H new ATOM 0 HG SER A 35 -19.373 28.068 -3.397 1.00 0.00 H new ATOM 460 N SER A 36 -14.584 28.220 -5.015 1.00 0.00 N ATOM 461 CA SER A 36 -13.946 29.213 -5.869 1.00 0.00 C ATOM 462 C SER A 36 -13.507 28.535 -7.170 1.00 0.00 C ATOM 463 O SER A 36 -14.172 28.713 -8.189 1.00 0.00 O ATOM 464 CB SER A 36 -12.804 29.927 -5.142 1.00 0.00 C ATOM 465 OG SER A 36 -13.287 30.611 -4.005 1.00 0.00 O ATOM 0 H SER A 36 -14.154 27.298 -5.081 1.00 0.00 H new ATOM 0 HA SER A 36 -14.657 29.999 -6.122 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.047 29.202 -4.842 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.320 30.632 -5.818 1.00 0.00 H new ATOM 0 HG SER A 36 -12.543 31.060 -3.552 1.00 0.00 H new ATOM 471 N THR A 37 -12.413 27.755 -7.149 1.00 0.00 N ATOM 472 CA THR A 37 -11.915 27.047 -8.327 1.00 0.00 C ATOM 473 C THR A 37 -10.982 25.880 -7.954 1.00 0.00 C ATOM 474 O THR A 37 -9.973 25.685 -8.613 1.00 0.00 O ATOM 475 CB THR A 37 -11.299 28.042 -9.337 1.00 0.00 C ATOM 476 OG1 THR A 37 -10.973 27.384 -10.546 1.00 0.00 O ATOM 477 CG2 THR A 37 -10.068 28.783 -8.807 1.00 0.00 C ATOM 0 H THR A 37 -11.853 27.601 -6.311 1.00 0.00 H new ATOM 0 HA THR A 37 -12.760 26.576 -8.829 1.00 0.00 H new ATOM 0 HB THR A 37 -12.066 28.796 -9.512 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.503 26.548 -10.347 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.694 29.462 -9.573 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.341 29.353 -7.919 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.292 28.062 -8.551 1.00 0.00 H new ATOM 485 N TYR A 38 -11.298 25.095 -6.911 1.00 0.00 N ATOM 486 CA TYR A 38 -10.502 23.953 -6.422 1.00 0.00 C ATOM 487 C TYR A 38 -11.341 23.231 -5.339 1.00 0.00 C ATOM 488 O TYR A 38 -11.815 23.888 -4.416 1.00 0.00 O ATOM 489 CB TYR A 38 -9.167 24.409 -5.813 1.00 0.00 C ATOM 490 CG TYR A 38 -9.104 25.892 -5.530 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.945 26.446 -4.556 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.225 26.716 -6.252 1.00 0.00 C ATOM 493 CE1 TYR A 38 -9.921 27.818 -4.302 1.00 0.00 C ATOM 494 CE2 TYR A 38 -8.195 28.095 -5.996 1.00 0.00 C ATOM 495 CZ TYR A 38 -9.045 28.653 -5.022 1.00 0.00 C ATOM 496 OH TYR A 38 -9.027 29.995 -4.775 1.00 0.00 O ATOM 0 H TYR A 38 -12.146 25.242 -6.364 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.270 23.292 -7.257 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.996 23.863 -4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.358 24.143 -6.493 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.615 25.808 -3.999 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.575 26.290 -7.001 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.575 28.240 -3.553 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.518 28.730 -6.548 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.366 30.426 -5.356 1.00 0.00 H new ATOM 506 N PRO A 39 -11.573 21.911 -5.399 1.00 0.00 N ATOM 507 CA PRO A 39 -11.166 20.991 -6.428 1.00 0.00 C ATOM 508 C PRO A 39 -12.194 20.976 -7.554 1.00 0.00 C ATOM 509 O PRO A 39 -12.834 19.960 -7.807 1.00 0.00 O ATOM 510 CB PRO A 39 -11.067 19.649 -5.711 1.00 0.00 C ATOM 511 CG PRO A 39 -12.276 19.715 -4.781 1.00 0.00 C ATOM 512 CD PRO A 39 -12.327 21.192 -4.388 1.00 0.00 C ATOM 0 HA PRO A 39 -10.221 21.257 -6.901 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.126 18.808 -6.402 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.131 19.545 -5.162 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.190 19.399 -5.284 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.152 19.070 -3.911 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.357 21.547 -4.345 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.896 21.346 -3.399 1.00 0.00 H new ATOM 520 N HIS A 40 -12.363 22.117 -8.225 1.00 0.00 N ATOM 521 CA HIS A 40 -13.273 22.258 -9.338 1.00 0.00 C ATOM 522 C HIS A 40 -12.506 21.773 -10.572 1.00 0.00 C ATOM 523 O HIS A 40 -11.304 21.492 -10.489 1.00 0.00 O ATOM 524 CB HIS A 40 -13.714 23.720 -9.477 1.00 0.00 C ATOM 525 CG HIS A 40 -14.274 24.389 -8.231 1.00 0.00 C ATOM 526 ND1 HIS A 40 -15.028 25.551 -8.312 1.00 0.00 N ATOM 527 CD2 HIS A 40 -14.214 24.115 -6.881 1.00 0.00 C ATOM 528 CE1 HIS A 40 -15.360 25.909 -7.060 1.00 0.00 C ATOM 529 NE2 HIS A 40 -14.895 25.070 -6.141 1.00 0.00 N ATOM 0 H HIS A 40 -11.859 22.975 -7.999 1.00 0.00 H new ATOM 0 HA HIS A 40 -14.184 21.675 -9.202 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -12.858 24.302 -9.819 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -14.470 23.774 -10.260 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -15.284 26.044 -9.167 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -13.702 23.265 -6.454 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -15.944 26.787 -6.826 1.00 0.00 H new ATOM 537 N THR A 41 -13.198 21.676 -11.713 1.00 0.00 N ATOM 538 CA THR A 41 -12.592 21.210 -12.948 1.00 0.00 C ATOM 539 C THR A 41 -11.584 22.226 -13.495 1.00 0.00 C ATOM 540 O THR A 41 -11.777 23.436 -13.369 1.00 0.00 O ATOM 541 CB THR A 41 -13.659 20.806 -13.969 1.00 0.00 C ATOM 542 OG1 THR A 41 -13.070 20.051 -15.008 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.320 22.043 -14.566 1.00 0.00 C ATOM 0 H THR A 41 -14.185 21.918 -11.798 1.00 0.00 H new ATOM 0 HA THR A 41 -12.020 20.308 -12.731 1.00 0.00 H new ATOM 0 HB THR A 41 -14.413 20.206 -13.459 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.285 19.577 -14.663 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.076 21.738 -15.290 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.791 22.623 -13.772 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.567 22.654 -15.064 1.00 0.00 H new ATOM 551 N TYR A 42 -10.515 21.712 -14.114 1.00 0.00 N ATOM 552 CA TYR A 42 -9.416 22.483 -14.688 1.00 0.00 C ATOM 553 C TYR A 42 -9.668 22.686 -16.184 1.00 0.00 C ATOM 554 O TYR A 42 -8.829 22.355 -17.020 1.00 0.00 O ATOM 555 CB TYR A 42 -8.094 21.759 -14.363 1.00 0.00 C ATOM 556 CG TYR A 42 -6.800 22.322 -14.938 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.649 23.697 -15.206 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.728 21.446 -15.196 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.446 24.183 -15.748 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.524 21.933 -15.736 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.388 23.301 -16.024 1.00 0.00 C ATOM 562 OH TYR A 42 -3.225 23.773 -16.561 1.00 0.00 O ATOM 0 H TYR A 42 -10.391 20.706 -14.231 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.347 23.482 -14.257 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.990 21.729 -13.278 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.188 20.728 -14.703 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.459 24.379 -14.995 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.831 20.393 -14.978 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.335 25.238 -15.953 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.705 21.256 -15.929 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.598 23.030 -16.688 1.00 0.00 H new ATOM 572 N ASN A 43 -10.840 23.248 -16.509 1.00 0.00 N ATOM 573 CA ASN A 43 -11.298 23.536 -17.864 1.00 0.00 C ATOM 574 C ASN A 43 -10.665 24.812 -18.435 1.00 0.00 C ATOM 575 O ASN A 43 -11.355 25.700 -18.934 1.00 0.00 O ATOM 576 CB ASN A 43 -12.838 23.536 -17.907 1.00 0.00 C ATOM 577 CG ASN A 43 -13.520 24.781 -17.320 1.00 0.00 C ATOM 578 OD1 ASN A 43 -14.427 25.326 -17.946 1.00 0.00 O ATOM 579 ND2 ASN A 43 -13.101 25.250 -16.140 1.00 0.00 N ATOM 0 H ASN A 43 -11.520 23.524 -15.800 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.956 22.741 -18.527 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.154 23.426 -18.944 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.198 22.659 -17.369 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.536 26.080 -15.738 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.346 24.778 -15.642 1.00 0.00 H new ATOM 586 N ASN A 44 -9.332 24.889 -18.367 1.00 0.00 N ATOM 587 CA ASN A 44 -8.528 26.006 -18.837 1.00 0.00 C ATOM 588 C ASN A 44 -7.095 25.497 -19.014 1.00 0.00 C ATOM 589 O ASN A 44 -6.141 26.067 -18.489 1.00 0.00 O ATOM 590 CB ASN A 44 -8.660 27.203 -17.879 1.00 0.00 C ATOM 591 CG ASN A 44 -8.464 26.828 -16.409 1.00 0.00 C ATOM 592 OD1 ASN A 44 -9.383 26.323 -15.766 1.00 0.00 O ATOM 593 ND2 ASN A 44 -7.272 27.085 -15.867 1.00 0.00 N ATOM 0 H ASN A 44 -8.767 24.141 -17.965 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.873 26.381 -19.801 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.927 27.962 -18.154 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.645 27.652 -18.004 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.099 26.862 -14.887 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.534 27.505 -16.433 1.00 0.00 H new ATOM 600 N TYR A 45 -6.973 24.408 -19.783 1.00 0.00 N ATOM 601 CA TYR A 45 -5.727 23.725 -20.087 1.00 0.00 C ATOM 602 C TYR A 45 -4.851 24.573 -21.012 1.00 0.00 C ATOM 603 O TYR A 45 -3.708 24.866 -20.669 1.00 0.00 O ATOM 604 CB TYR A 45 -6.047 22.348 -20.699 1.00 0.00 C ATOM 605 CG TYR A 45 -5.215 21.208 -20.153 1.00 0.00 C ATOM 606 CD1 TYR A 45 -5.438 20.760 -18.839 1.00 0.00 C ATOM 607 CD2 TYR A 45 -4.236 20.586 -20.950 1.00 0.00 C ATOM 608 CE1 TYR A 45 -4.685 19.694 -18.322 1.00 0.00 C ATOM 609 CE2 TYR A 45 -3.481 19.518 -20.431 1.00 0.00 C ATOM 610 CZ TYR A 45 -3.712 19.070 -19.119 1.00 0.00 C ATOM 611 OH TYR A 45 -2.995 18.028 -18.613 1.00 0.00 O ATOM 0 H TYR A 45 -7.779 23.967 -20.225 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.157 23.574 -19.170 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.100 22.125 -20.529 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.902 22.402 -21.778 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.189 21.237 -18.227 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.064 20.928 -21.960 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.854 19.354 -17.311 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.725 19.043 -21.040 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.038 18.201 -18.733 1.00 0.00 H new ATOM 621 N GLU A 46 -5.409 24.958 -22.171 1.00 0.00 N ATOM 622 CA GLU A 46 -4.788 25.754 -23.225 1.00 0.00 C ATOM 623 C GLU A 46 -3.675 24.971 -23.926 1.00 0.00 C ATOM 624 O GLU A 46 -3.845 24.558 -25.071 1.00 0.00 O ATOM 625 CB GLU A 46 -4.350 27.134 -22.707 1.00 0.00 C ATOM 626 CG GLU A 46 -3.850 28.026 -23.850 1.00 0.00 C ATOM 627 CD GLU A 46 -3.570 29.447 -23.370 1.00 0.00 C ATOM 628 OE1 GLU A 46 -4.542 30.231 -23.319 1.00 0.00 O ATOM 629 OE2 GLU A 46 -2.390 29.724 -23.060 1.00 0.00 O ATOM 0 H GLU A 46 -6.368 24.701 -22.405 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.536 25.957 -23.991 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.187 27.619 -22.204 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.560 27.013 -21.966 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.942 27.599 -24.275 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.594 28.050 -24.646 1.00 0.00 H new ATOM 636 N GLY A 47 -2.542 24.781 -23.240 1.00 0.00 N ATOM 637 CA GLY A 47 -1.385 24.052 -23.726 1.00 0.00 C ATOM 638 C GLY A 47 -0.911 23.115 -22.619 1.00 0.00 C ATOM 639 O GLY A 47 -1.677 22.269 -22.158 1.00 0.00 O ATOM 0 H GLY A 47 -2.410 25.148 -22.297 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.642 23.484 -24.620 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.590 24.743 -24.005 1.00 0.00 H new ATOM 643 N PHE A 48 0.348 23.274 -22.190 1.00 0.00 N ATOM 644 CA PHE A 48 0.964 22.479 -21.136 1.00 0.00 C ATOM 645 C PHE A 48 1.027 20.989 -21.492 1.00 0.00 C ATOM 646 O PHE A 48 0.783 20.605 -22.637 1.00 0.00 O ATOM 647 CB PHE A 48 0.290 22.786 -19.784 1.00 0.00 C ATOM 648 CG PHE A 48 1.274 23.253 -18.726 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.728 24.585 -18.745 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.744 22.368 -17.738 1.00 0.00 C ATOM 651 CE1 PHE A 48 2.648 25.033 -17.780 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.666 22.816 -16.775 1.00 0.00 C ATOM 653 CZ PHE A 48 3.116 24.147 -16.794 1.00 0.00 C ATOM 0 H PHE A 48 0.976 23.977 -22.580 1.00 0.00 H new ATOM 0 HA PHE A 48 2.010 22.769 -21.036 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.471 23.553 -19.929 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.222 21.892 -19.428 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.369 25.265 -19.503 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.397 21.345 -17.719 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.994 26.056 -17.797 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.029 22.135 -16.019 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.821 24.489 -16.051 1.00 0.00 H new ATOM 663 N ASP A 49 1.370 20.154 -20.505 1.00 0.00 N ATOM 664 CA ASP A 49 1.495 18.711 -20.665 1.00 0.00 C ATOM 665 C ASP A 49 0.669 17.969 -19.607 1.00 0.00 C ATOM 666 O ASP A 49 -0.207 18.555 -18.974 1.00 0.00 O ATOM 667 CB ASP A 49 2.987 18.339 -20.658 1.00 0.00 C ATOM 668 CG ASP A 49 3.269 17.083 -21.485 1.00 0.00 C ATOM 669 OD1 ASP A 49 3.298 17.219 -22.728 1.00 0.00 O ATOM 670 OD2 ASP A 49 3.443 16.008 -20.872 1.00 0.00 O ATOM 0 H ASP A 49 1.571 20.473 -19.557 1.00 0.00 H new ATOM 0 HA ASP A 49 1.083 18.396 -21.623 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.570 19.171 -21.053 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.316 18.178 -19.631 1.00 0.00 H new ATOM 675 N PHE A 50 0.963 16.673 -19.445 1.00 0.00 N ATOM 676 CA PHE A 50 0.350 15.704 -18.548 1.00 0.00 C ATOM 677 C PHE A 50 -1.144 15.432 -18.776 1.00 0.00 C ATOM 678 O PHE A 50 -1.908 15.419 -17.815 1.00 0.00 O ATOM 679 CB PHE A 50 0.765 15.908 -17.079 1.00 0.00 C ATOM 680 CG PHE A 50 0.481 17.246 -16.410 1.00 0.00 C ATOM 681 CD1 PHE A 50 -0.786 17.540 -15.864 1.00 0.00 C ATOM 682 CD2 PHE A 50 1.507 18.206 -16.321 1.00 0.00 C ATOM 683 CE1 PHE A 50 -1.031 18.785 -15.259 1.00 0.00 C ATOM 684 CE2 PHE A 50 1.269 19.440 -15.695 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.001 19.737 -15.173 1.00 0.00 C ATOM 0 H PHE A 50 1.707 16.243 -19.994 1.00 0.00 H new ATOM 0 HA PHE A 50 0.785 14.748 -18.839 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.275 15.134 -16.488 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.838 15.728 -17.012 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.574 16.803 -15.911 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.481 17.992 -16.736 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.009 19.010 -14.861 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.066 20.164 -15.614 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.185 20.694 -14.707 1.00 0.00 H new ATOM 695 N PRO A 51 -1.603 15.199 -20.019 1.00 0.00 N ATOM 696 CA PRO A 51 -3.000 14.892 -20.284 1.00 0.00 C ATOM 697 C PRO A 51 -3.241 13.431 -19.882 1.00 0.00 C ATOM 698 O PRO A 51 -2.520 12.547 -20.344 1.00 0.00 O ATOM 699 CB PRO A 51 -3.179 15.099 -21.791 1.00 0.00 C ATOM 700 CG PRO A 51 -1.800 14.762 -22.360 1.00 0.00 C ATOM 701 CD PRO A 51 -0.844 15.230 -21.261 1.00 0.00 C ATOM 0 HA PRO A 51 -3.704 15.513 -19.730 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -3.952 14.447 -22.197 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.471 16.123 -22.024 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.696 13.695 -22.557 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.615 15.280 -23.301 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.028 14.578 -21.200 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.477 16.235 -21.467 1.00 0.00 H new ATOM 709 N VAL A 52 -4.237 13.176 -19.021 1.00 0.00 N ATOM 710 CA VAL A 52 -4.568 11.835 -18.543 1.00 0.00 C ATOM 711 C VAL A 52 -6.049 11.563 -18.847 1.00 0.00 C ATOM 712 O VAL A 52 -6.457 11.681 -20.002 1.00 0.00 O ATOM 713 CB VAL A 52 -4.154 11.665 -17.059 1.00 0.00 C ATOM 714 CG1 VAL A 52 -4.100 10.179 -16.668 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.765 12.249 -16.767 1.00 0.00 C ATOM 0 H VAL A 52 -4.838 13.905 -18.636 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.997 11.069 -19.068 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.910 12.200 -16.483 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.807 10.088 -15.622 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.083 9.730 -16.810 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.372 9.664 -17.295 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.523 12.104 -15.714 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.021 11.744 -17.383 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.763 13.315 -16.996 1.00 0.00 H new ATOM 725 N ASP A 53 -6.849 11.203 -17.835 1.00 0.00 N ATOM 726 CA ASP A 53 -8.269 10.893 -17.942 1.00 0.00 C ATOM 727 C ASP A 53 -8.899 11.184 -16.583 1.00 0.00 C ATOM 728 O ASP A 53 -8.412 10.680 -15.571 1.00 0.00 O ATOM 729 CB ASP A 53 -8.475 9.405 -18.279 1.00 0.00 C ATOM 730 CG ASP A 53 -7.913 9.005 -19.640 1.00 0.00 C ATOM 731 OD1 ASP A 53 -8.663 9.143 -20.630 1.00 0.00 O ATOM 732 OD2 ASP A 53 -6.744 8.560 -19.666 1.00 0.00 O ATOM 0 H ASP A 53 -6.503 11.118 -16.879 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.723 11.491 -18.733 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.003 8.797 -17.507 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.541 9.179 -18.255 1.00 0.00 H new ATOM 737 N GLY A 54 -9.974 11.982 -16.546 1.00 0.00 N ATOM 738 CA GLY A 54 -10.630 12.323 -15.296 1.00 0.00 C ATOM 739 C GLY A 54 -12.117 12.625 -15.500 1.00 0.00 C ATOM 740 O GLY A 54 -12.914 11.706 -15.314 1.00 0.00 O ATOM 0 H GLY A 54 -10.401 12.399 -17.373 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.520 11.499 -14.591 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.140 13.190 -14.853 1.00 0.00 H new ATOM 744 N PRO A 55 -12.548 13.852 -15.863 1.00 0.00 N ATOM 745 CA PRO A 55 -11.783 15.071 -16.132 1.00 0.00 C ATOM 746 C PRO A 55 -10.850 15.549 -15.018 1.00 0.00 C ATOM 747 O PRO A 55 -10.912 15.087 -13.882 1.00 0.00 O ATOM 748 CB PRO A 55 -12.820 16.167 -16.411 1.00 0.00 C ATOM 749 CG PRO A 55 -14.066 15.408 -16.853 1.00 0.00 C ATOM 750 CD PRO A 55 -13.968 14.107 -16.063 1.00 0.00 C ATOM 0 HA PRO A 55 -11.113 14.850 -16.963 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.014 16.766 -15.521 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.476 16.851 -17.186 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.978 15.956 -16.618 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.070 15.229 -17.928 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -14.485 14.193 -15.107 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.437 13.287 -16.606 1.00 0.00 H new ATOM 758 N TYR A 56 -9.995 16.515 -15.363 1.00 0.00 N ATOM 759 CA TYR A 56 -8.986 17.095 -14.482 1.00 0.00 C ATOM 760 C TYR A 56 -9.560 18.115 -13.499 1.00 0.00 C ATOM 761 O TYR A 56 -10.646 18.649 -13.715 1.00 0.00 O ATOM 762 CB TYR A 56 -7.835 17.671 -15.332 1.00 0.00 C ATOM 763 CG TYR A 56 -8.207 18.278 -16.685 1.00 0.00 C ATOM 764 CD1 TYR A 56 -9.291 19.170 -16.809 1.00 0.00 C ATOM 765 CD2 TYR A 56 -7.464 17.937 -17.833 1.00 0.00 C ATOM 766 CE1 TYR A 56 -9.630 19.706 -18.062 1.00 0.00 C ATOM 767 CE2 TYR A 56 -7.797 18.483 -19.085 1.00 0.00 C ATOM 768 CZ TYR A 56 -8.877 19.374 -19.199 1.00 0.00 C ATOM 769 OH TYR A 56 -9.200 19.908 -20.413 1.00 0.00 O ATOM 0 H TYR A 56 -9.988 16.927 -16.296 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.590 16.300 -13.850 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.331 18.438 -14.744 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.111 16.875 -15.506 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.864 19.443 -15.935 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.633 17.252 -17.750 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -10.473 20.376 -18.151 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.222 18.217 -19.960 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.578 19.575 -21.093 1.00 0.00 H new ATOM 779 N GLN A 57 -8.811 18.355 -12.411 1.00 0.00 N ATOM 780 CA GLN A 57 -9.165 19.258 -11.323 1.00 0.00 C ATOM 781 C GLN A 57 -7.930 19.821 -10.624 1.00 0.00 C ATOM 782 O GLN A 57 -6.898 19.153 -10.575 1.00 0.00 O ATOM 783 CB GLN A 57 -10.051 18.499 -10.327 1.00 0.00 C ATOM 784 CG GLN A 57 -9.386 17.284 -9.654 1.00 0.00 C ATOM 785 CD GLN A 57 -8.945 17.531 -8.210 1.00 0.00 C ATOM 786 OE1 GLN A 57 -8.357 18.563 -7.898 1.00 0.00 O ATOM 787 NE2 GLN A 57 -9.226 16.574 -7.320 1.00 0.00 N ATOM 0 H GLN A 57 -7.908 17.903 -12.267 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.707 20.109 -11.735 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.375 19.193 -9.551 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.948 18.161 -10.847 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.083 16.446 -9.671 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.517 16.987 -10.242 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.716 15.730 -7.616 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.950 16.688 -6.345 1.00 0.00 H new ATOM 796 N GLU A 58 -8.047 21.040 -10.072 1.00 0.00 N ATOM 797 CA GLU A 58 -6.930 21.708 -9.390 1.00 0.00 C ATOM 798 C GLU A 58 -6.996 21.666 -7.864 1.00 0.00 C ATOM 799 O GLU A 58 -8.012 21.323 -7.281 1.00 0.00 O ATOM 800 CB GLU A 58 -6.824 23.196 -9.781 1.00 0.00 C ATOM 801 CG GLU A 58 -8.124 23.975 -9.909 1.00 0.00 C ATOM 802 CD GLU A 58 -8.634 24.000 -11.340 1.00 0.00 C ATOM 803 OE1 GLU A 58 -8.105 24.810 -12.131 1.00 0.00 O ATOM 804 OE2 GLU A 58 -9.546 23.199 -11.613 1.00 0.00 O ATOM 0 H GLU A 58 -8.910 21.584 -10.086 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.062 21.138 -9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.202 23.697 -9.039 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.298 23.258 -10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.879 23.528 -9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.970 24.996 -9.561 1.00 0.00 H new ATOM 811 N PHE A 59 -5.873 22.011 -7.225 1.00 0.00 N ATOM 812 CA PHE A 59 -5.735 22.115 -5.785 1.00 0.00 C ATOM 813 C PHE A 59 -4.536 23.023 -5.517 1.00 0.00 C ATOM 814 O PHE A 59 -3.409 22.653 -5.837 1.00 0.00 O ATOM 815 CB PHE A 59 -5.618 20.788 -5.046 1.00 0.00 C ATOM 816 CG PHE A 59 -5.743 21.077 -3.562 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.017 21.095 -2.964 1.00 0.00 C ATOM 818 CD2 PHE A 59 -4.601 21.349 -2.786 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.147 21.378 -1.597 1.00 0.00 C ATOM 820 CE2 PHE A 59 -4.735 21.641 -1.418 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.010 21.662 -0.828 1.00 0.00 C ATOM 0 H PHE A 59 -5.010 22.231 -7.722 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.658 22.535 -5.385 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.399 20.100 -5.369 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.662 20.311 -5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.895 20.891 -3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.622 21.333 -3.242 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.124 21.377 -1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.859 21.849 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.114 21.898 0.221 1.00 0.00 H new ATOM 831 N PRO A 60 -4.735 24.204 -4.922 1.00 0.00 N ATOM 832 CA PRO A 60 -3.669 25.143 -4.679 1.00 0.00 C ATOM 833 C PRO A 60 -2.950 24.877 -3.354 1.00 0.00 C ATOM 834 O PRO A 60 -3.497 25.116 -2.279 1.00 0.00 O ATOM 835 CB PRO A 60 -4.392 26.472 -4.753 1.00 0.00 C ATOM 836 CG PRO A 60 -5.688 26.173 -3.988 1.00 0.00 C ATOM 837 CD PRO A 60 -5.993 24.749 -4.451 1.00 0.00 C ATOM 0 HA PRO A 60 -2.847 25.086 -5.392 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.819 27.274 -4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.586 26.774 -5.782 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.550 26.233 -2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.487 26.868 -4.246 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.396 24.151 -3.634 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.740 24.748 -5.245 1.00 0.00 H new ATOM 845 N ILE A 61 -1.714 24.371 -3.425 1.00 0.00 N ATOM 846 CA ILE A 61 -0.916 24.097 -2.245 1.00 0.00 C ATOM 847 C ILE A 61 -0.249 25.354 -1.740 1.00 0.00 C ATOM 848 O ILE A 61 -0.288 26.440 -2.317 1.00 0.00 O ATOM 849 CB ILE A 61 0.077 22.946 -2.441 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.854 22.359 -1.245 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.970 23.127 -3.669 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.246 20.906 -1.487 1.00 0.00 C ATOM 0 H ILE A 61 -1.248 24.144 -4.303 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.603 23.753 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.644 22.145 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.750 22.953 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.242 22.426 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.650 22.279 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.351 23.184 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.547 24.046 -3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.792 20.528 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.348 20.307 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.879 20.843 -2.372 1.00 0.00 H new ATOM 864 N LYS A 62 0.355 25.095 -0.602 1.00 0.00 N ATOM 865 CA LYS A 62 1.126 26.011 0.223 1.00 0.00 C ATOM 866 C LYS A 62 2.031 25.215 1.158 1.00 0.00 C ATOM 867 O LYS A 62 1.780 24.041 1.425 1.00 0.00 O ATOM 868 CB LYS A 62 0.206 26.976 0.999 1.00 0.00 C ATOM 869 CG LYS A 62 0.227 28.400 0.422 1.00 0.00 C ATOM 870 CD LYS A 62 1.536 29.141 0.729 1.00 0.00 C ATOM 871 CE LYS A 62 1.557 30.508 0.037 1.00 0.00 C ATOM 872 NZ LYS A 62 2.864 31.167 0.196 1.00 0.00 N ATOM 0 H LYS A 62 0.319 24.162 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 62 1.752 26.629 -0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.815 26.594 0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.515 27.006 2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.085 28.353 -0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.611 28.966 0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.643 29.271 1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.385 28.545 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.336 30.385 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.774 31.142 0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.848 32.090 -0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.062 31.305 1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.606 30.572 -0.224 1.00 0.00 H new ATOM 886 N SER A 63 3.081 25.877 1.658 1.00 0.00 N ATOM 887 CA SER A 63 4.057 25.303 2.570 1.00 0.00 C ATOM 888 C SER A 63 3.507 25.340 3.998 1.00 0.00 C ATOM 889 O SER A 63 4.115 25.925 4.894 1.00 0.00 O ATOM 890 CB SER A 63 5.376 26.072 2.444 1.00 0.00 C ATOM 891 OG SER A 63 5.857 25.966 1.124 1.00 0.00 O ATOM 0 H SER A 63 3.274 26.852 1.429 1.00 0.00 H new ATOM 0 HA SER A 63 4.249 24.260 2.317 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.225 27.120 2.704 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.111 25.673 3.143 1.00 0.00 H new ATOM 0 HG SER A 63 6.830 25.848 1.139 1.00 0.00 H new ATOM 897 N GLY A 64 2.343 24.717 4.196 1.00 0.00 N ATOM 898 CA GLY A 64 1.647 24.643 5.468 1.00 0.00 C ATOM 899 C GLY A 64 0.584 23.553 5.399 1.00 0.00 C ATOM 900 O GLY A 64 -0.606 23.833 5.513 1.00 0.00 O ATOM 0 H GLY A 64 1.848 24.236 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.353 24.428 6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.185 25.603 5.699 1.00 0.00 H new ATOM 904 N GLY A 65 1.022 22.304 5.200 1.00 0.00 N ATOM 905 CA GLY A 65 0.150 21.145 5.127 1.00 0.00 C ATOM 906 C GLY A 65 -0.768 21.184 3.907 1.00 0.00 C ATOM 907 O GLY A 65 -0.304 20.968 2.787 1.00 0.00 O ATOM 0 H GLY A 65 2.009 22.076 5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.756 20.239 5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.455 21.091 6.032 1.00 0.00 H new ATOM 911 N VAL A 66 -2.062 21.458 4.134 1.00 0.00 N ATOM 912 CA VAL A 66 -3.085 21.505 3.099 1.00 0.00 C ATOM 913 C VAL A 66 -3.954 22.759 3.239 1.00 0.00 C ATOM 914 O VAL A 66 -4.919 22.753 3.999 1.00 0.00 O ATOM 915 CB VAL A 66 -3.938 20.223 3.187 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.987 20.181 2.068 1.00 0.00 C ATOM 917 CG2 VAL A 66 -3.064 18.965 3.114 1.00 0.00 C ATOM 0 H VAL A 66 -2.426 21.656 5.066 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.609 21.556 2.120 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.446 20.242 4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.574 19.267 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.646 21.045 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.487 20.201 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.696 18.079 3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.520 18.954 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.355 18.966 3.942 1.00 0.00 H new ATOM 927 N TYR A 67 -3.604 23.822 2.497 1.00 0.00 N ATOM 928 CA TYR A 67 -4.307 25.103 2.450 1.00 0.00 C ATOM 929 C TYR A 67 -4.699 25.623 3.841 1.00 0.00 C ATOM 930 O TYR A 67 -5.847 25.472 4.258 1.00 0.00 O ATOM 931 CB TYR A 67 -5.511 24.962 1.499 1.00 0.00 C ATOM 932 CG TYR A 67 -6.451 26.152 1.372 1.00 0.00 C ATOM 933 CD1 TYR A 67 -5.998 27.473 1.564 1.00 0.00 C ATOM 934 CD2 TYR A 67 -7.802 25.926 1.043 1.00 0.00 C ATOM 935 CE1 TYR A 67 -6.894 28.549 1.453 1.00 0.00 C ATOM 936 CE2 TYR A 67 -8.695 27.004 0.923 1.00 0.00 C ATOM 937 CZ TYR A 67 -8.240 28.318 1.127 1.00 0.00 C ATOM 938 OH TYR A 67 -9.103 29.370 1.010 1.00 0.00 O ATOM 0 H TYR A 67 -2.786 23.806 1.888 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.633 25.866 2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.129 24.728 0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.098 24.103 1.825 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.960 27.658 1.797 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.154 24.918 0.882 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.546 29.558 1.619 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.730 26.823 0.674 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.995 29.037 0.779 1.00 0.00 H new ATOM 948 N THR A 68 -3.742 26.240 4.545 1.00 0.00 N ATOM 949 CA THR A 68 -3.926 26.813 5.876 1.00 0.00 C ATOM 950 C THR A 68 -3.512 28.288 5.913 1.00 0.00 C ATOM 951 O THR A 68 -4.065 29.049 6.704 1.00 0.00 O ATOM 952 CB THR A 68 -3.130 26.020 6.922 1.00 0.00 C ATOM 953 OG1 THR A 68 -1.746 26.122 6.659 1.00 0.00 O ATOM 954 CG2 THR A 68 -3.553 24.549 6.975 1.00 0.00 C ATOM 0 H THR A 68 -2.793 26.356 4.191 1.00 0.00 H new ATOM 0 HA THR A 68 -4.988 26.751 6.115 1.00 0.00 H new ATOM 0 HB THR A 68 -3.347 26.455 7.898 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.426 25.285 6.263 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.963 24.028 7.729 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.610 24.483 7.232 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.387 24.087 6.002 1.00 0.00 H new ATOM 962 N GLY A 69 -2.542 28.683 5.074 1.00 0.00 N ATOM 963 CA GLY A 69 -2.015 30.037 4.991 1.00 0.00 C ATOM 964 C GLY A 69 -3.115 31.080 4.808 1.00 0.00 C ATOM 965 O GLY A 69 -3.372 31.865 5.718 1.00 0.00 O ATOM 0 H GLY A 69 -2.095 28.043 4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.453 30.261 5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.315 30.101 4.158 1.00 0.00 H new ATOM 969 N GLY A 70 -3.753 31.080 3.630 1.00 0.00 N ATOM 970 CA GLY A 70 -4.830 31.997 3.294 1.00 0.00 C ATOM 971 C GLY A 70 -4.644 32.517 1.872 1.00 0.00 C ATOM 972 O GLY A 70 -3.682 33.234 1.600 1.00 0.00 O ATOM 0 H GLY A 70 -3.526 30.430 2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.791 31.491 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.842 32.830 3.997 1.00 0.00 H new ATOM 976 N SER A 71 -5.571 32.149 0.977 1.00 0.00 N ATOM 977 CA SER A 71 -5.593 32.545 -0.426 1.00 0.00 C ATOM 978 C SER A 71 -4.280 32.222 -1.154 1.00 0.00 C ATOM 979 O SER A 71 -3.545 33.140 -1.516 1.00 0.00 O ATOM 980 CB SER A 71 -5.972 34.029 -0.541 1.00 0.00 C ATOM 981 OG SER A 71 -7.223 34.261 0.071 1.00 0.00 O ATOM 0 H SER A 71 -6.353 31.544 1.226 1.00 0.00 H new ATOM 0 HA SER A 71 -6.356 31.953 -0.932 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.207 34.645 -0.068 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.012 34.321 -1.590 1.00 0.00 H new ATOM 0 HG SER A 71 -7.454 35.210 -0.007 1.00 0.00 H new ATOM 987 N PRO A 72 -3.973 30.935 -1.393 1.00 0.00 N ATOM 988 CA PRO A 72 -2.830 30.519 -2.198 1.00 0.00 C ATOM 989 C PRO A 72 -3.043 30.928 -3.660 1.00 0.00 C ATOM 990 O PRO A 72 -4.185 30.985 -4.121 1.00 0.00 O ATOM 991 CB PRO A 72 -2.742 29.002 -2.023 1.00 0.00 C ATOM 992 CG PRO A 72 -4.172 28.583 -1.682 1.00 0.00 C ATOM 993 CD PRO A 72 -4.717 29.783 -0.913 1.00 0.00 C ATOM 0 HA PRO A 72 -1.898 30.993 -1.888 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.390 28.515 -2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.047 28.732 -1.228 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.757 28.381 -2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.192 27.676 -1.078 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.786 29.907 -1.089 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.584 29.652 0.161 1.00 0.00 H new ATOM 1001 N GLY A 73 -1.954 31.210 -4.392 1.00 0.00 N ATOM 1002 CA GLY A 73 -2.059 31.630 -5.784 1.00 0.00 C ATOM 1003 C GLY A 73 -0.792 31.436 -6.619 1.00 0.00 C ATOM 1004 O GLY A 73 -0.507 32.271 -7.478 1.00 0.00 O ATOM 0 H GLY A 73 -0.999 31.153 -4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.873 31.077 -6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.334 32.684 -5.809 1.00 0.00 H new ATOM 1008 N ALA A 74 -0.025 30.364 -6.376 1.00 0.00 N ATOM 1009 CA ALA A 74 1.177 30.069 -7.145 1.00 0.00 C ATOM 1010 C ALA A 74 1.463 28.581 -7.121 1.00 0.00 C ATOM 1011 O ALA A 74 1.351 27.963 -8.165 1.00 0.00 O ATOM 1012 CB ALA A 74 2.413 30.886 -6.726 1.00 0.00 C ATOM 0 H ALA A 74 -0.225 29.684 -5.643 1.00 0.00 H new ATOM 0 HA ALA A 74 0.968 30.381 -8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.263 30.605 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.207 31.949 -6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.646 30.683 -5.681 1.00 0.00 H new ATOM 1018 N ASP A 75 1.833 27.992 -5.981 1.00 0.00 N ATOM 1019 CA ASP A 75 2.096 26.560 -5.930 1.00 0.00 C ATOM 1020 C ASP A 75 0.757 25.820 -6.004 1.00 0.00 C ATOM 1021 O ASP A 75 -0.082 26.004 -5.124 1.00 0.00 O ATOM 1022 CB ASP A 75 2.878 26.219 -4.660 1.00 0.00 C ATOM 1023 CG ASP A 75 4.209 26.968 -4.595 1.00 0.00 C ATOM 1024 OD1 ASP A 75 5.162 26.496 -5.255 1.00 0.00 O ATOM 1025 OD2 ASP A 75 4.252 27.998 -3.890 1.00 0.00 O ATOM 0 H ASP A 75 1.955 28.481 -5.094 1.00 0.00 H new ATOM 0 HA ASP A 75 2.710 26.247 -6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.277 26.468 -3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.063 25.145 -4.624 1.00 0.00 H new ATOM 1030 N ARG A 76 0.540 24.998 -7.045 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.715 24.270 -7.216 1.00 0.00 C ATOM 1032 C ARG A 76 -0.525 22.842 -7.720 1.00 0.00 C ATOM 1033 O ARG A 76 -0.011 22.648 -8.818 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.670 24.997 -8.191 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.758 26.522 -8.032 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.605 27.169 -9.133 1.00 0.00 C ATOM 1037 NE ARG A 76 -4.034 26.873 -8.983 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.994 27.326 -9.810 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.687 28.041 -10.904 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -6.277 27.059 -9.536 1.00 0.00 N ATOM 0 H ARG A 76 1.225 24.825 -7.780 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.148 24.231 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.355 24.775 -9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.670 24.580 -8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.187 26.760 -7.059 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.754 26.946 -8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.456 28.249 -9.116 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.263 26.816 -10.106 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.319 26.285 -8.200 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.712 28.249 -11.120 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.429 28.376 -11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.519 26.517 -8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.012 27.398 -10.157 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.929 21.846 -6.916 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.870 20.447 -7.322 1.00 0.00 C ATOM 1056 C VAL A 77 -2.168 20.224 -8.094 1.00 0.00 C ATOM 1057 O VAL A 77 -3.199 20.813 -7.769 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.691 19.443 -6.173 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.705 19.561 -5.559 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.757 19.546 -5.077 1.00 0.00 C ATOM 0 H VAL A 77 -1.301 21.993 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 77 0.021 20.263 -7.922 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.815 18.460 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.808 18.840 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.456 19.358 -6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.847 20.569 -5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.558 18.803 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.731 20.543 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.741 19.365 -5.509 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.131 19.366 -9.109 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.288 19.115 -9.956 1.00 0.00 C ATOM 1072 C VAL A 78 -3.458 17.600 -10.119 1.00 0.00 C ATOM 1073 O VAL A 78 -2.482 16.883 -10.333 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.091 19.957 -11.235 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.194 19.745 -12.275 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.030 21.466 -10.875 1.00 0.00 C ATOM 0 H VAL A 78 -1.302 18.829 -9.365 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.244 19.433 -9.540 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.152 19.623 -11.677 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.995 20.366 -13.148 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.217 18.697 -12.573 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.157 20.021 -11.846 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.891 22.052 -11.784 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.961 21.763 -10.391 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.196 21.645 -10.197 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.711 17.129 -10.002 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.129 15.730 -10.069 1.00 0.00 C ATOM 1088 C ILE A 79 -6.243 15.560 -11.108 1.00 0.00 C ATOM 1089 O ILE A 79 -6.619 16.494 -11.813 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.717 15.322 -8.677 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -5.215 16.186 -7.508 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -5.510 13.846 -8.294 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -5.804 15.749 -6.164 1.00 0.00 C ATOM 0 H ILE A 79 -5.501 17.756 -9.849 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.271 15.115 -10.339 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.782 15.496 -8.829 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.127 16.131 -7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.474 17.229 -7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.951 13.659 -7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.989 13.207 -9.036 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.443 13.625 -8.260 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.418 16.391 -5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.890 15.830 -6.199 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.523 14.715 -5.963 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.740 14.324 -11.186 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.854 13.851 -11.985 1.00 0.00 C ATOM 1107 C ASN A 80 -9.013 13.818 -10.976 1.00 0.00 C ATOM 1108 O ASN A 80 -8.770 13.774 -9.767 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.554 12.467 -12.569 1.00 0.00 C ATOM 1110 CG ASN A 80 -6.551 12.554 -13.717 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -6.887 13.041 -14.794 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -5.321 12.082 -13.494 1.00 0.00 N ATOM 0 H ASN A 80 -6.330 13.567 -10.639 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.074 14.478 -12.849 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.160 11.818 -11.787 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.478 12.012 -12.925 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.619 12.118 -14.233 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.084 11.686 -12.585 1.00 0.00 H new ATOM 1119 N THR A 81 -10.270 13.825 -11.437 1.00 0.00 N ATOM 1120 CA THR A 81 -11.424 13.834 -10.536 1.00 0.00 C ATOM 1121 C THR A 81 -11.660 12.601 -9.687 1.00 0.00 C ATOM 1122 O THR A 81 -12.637 12.546 -8.940 1.00 0.00 O ATOM 1123 CB THR A 81 -12.681 14.369 -11.233 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.698 14.676 -10.304 1.00 0.00 O ATOM 1125 CG2 THR A 81 -13.203 13.315 -12.200 1.00 0.00 C ATOM 0 H THR A 81 -10.511 13.825 -12.428 1.00 0.00 H new ATOM 0 HA THR A 81 -11.140 14.548 -9.763 1.00 0.00 H new ATOM 0 HB THR A 81 -12.411 15.282 -11.763 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.625 15.617 -10.038 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.097 13.690 -12.699 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.438 13.093 -12.944 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.448 12.406 -11.650 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.770 11.621 -9.785 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.879 10.442 -8.980 1.00 0.00 C ATOM 1135 C ASN A 82 -9.960 10.764 -7.806 1.00 0.00 C ATOM 1136 O ASN A 82 -10.415 11.232 -6.765 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.488 9.209 -9.808 1.00 0.00 C ATOM 1138 CG ASN A 82 -11.509 8.956 -10.915 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -11.295 9.361 -12.057 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -12.618 8.290 -10.581 1.00 0.00 N ATOM 0 H ASN A 82 -9.970 11.633 -10.418 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.879 10.194 -8.625 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.500 9.356 -10.244 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.423 8.335 -9.160 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.330 8.098 -11.286 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.753 7.973 -9.621 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.670 10.512 -8.019 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.560 10.672 -7.080 1.00 0.00 C ATOM 1149 C CYS A 83 -6.161 10.650 -7.724 1.00 0.00 C ATOM 1150 O CYS A 83 -5.185 10.884 -7.012 1.00 0.00 O ATOM 1151 CB CYS A 83 -7.642 9.554 -6.022 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.427 10.048 -4.292 1.00 0.00 S ATOM 0 H CYS A 83 -8.348 10.164 -8.922 1.00 0.00 H new ATOM 0 HA CYS A 83 -7.672 11.664 -6.643 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.612 9.066 -6.118 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -6.885 8.807 -6.258 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.028 10.391 -9.037 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.724 10.255 -9.685 1.00 0.00 C ATOM 1159 C GLU A 84 -4.003 11.558 -10.023 1.00 0.00 C ATOM 1160 O GLU A 84 -4.518 12.385 -10.772 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.887 9.376 -10.934 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.527 8.944 -11.500 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.663 8.059 -12.738 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -4.497 7.128 -12.694 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -2.923 8.325 -13.711 1.00 0.00 O ATOM 0 H GLU A 84 -6.819 10.272 -9.670 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.069 9.789 -8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.475 8.493 -10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.442 9.924 -11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.944 9.830 -11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.972 8.406 -10.732 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.791 11.711 -9.461 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.898 12.847 -9.645 1.00 0.00 C ATOM 1174 C TYR A 85 -1.697 13.068 -11.144 1.00 0.00 C ATOM 1175 O TYR A 85 -1.276 12.151 -11.848 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.560 12.553 -8.931 1.00 0.00 C ATOM 1177 CG TYR A 85 0.537 13.605 -9.066 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.187 13.785 -10.302 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.924 14.400 -7.964 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.192 14.753 -10.447 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.931 15.370 -8.118 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.565 15.549 -9.355 1.00 0.00 C ATOM 1183 OH TYR A 85 3.547 16.486 -9.497 1.00 0.00 O ATOM 0 H TYR A 85 -2.397 11.006 -8.837 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.321 13.754 -9.214 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.765 12.410 -7.870 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.173 11.608 -9.311 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.909 13.172 -11.147 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.447 14.263 -7.005 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.679 14.885 -11.402 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.218 15.982 -7.276 1.00 0.00 H new ATOM 0 HH TYR A 85 4.289 16.277 -8.892 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.009 14.276 -11.622 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.858 14.659 -13.016 1.00 0.00 C ATOM 1195 C ALA A 86 -0.524 15.390 -13.170 1.00 0.00 C ATOM 1196 O ALA A 86 0.312 14.983 -13.973 1.00 0.00 O ATOM 1197 CB ALA A 86 -3.048 15.514 -13.460 1.00 0.00 C ATOM 0 H ALA A 86 -2.380 15.024 -11.035 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.848 13.781 -13.662 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.924 15.795 -14.506 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.969 14.943 -13.344 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.099 16.413 -12.846 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.320 16.459 -12.389 1.00 0.00 N ATOM 1204 CA GLY A 87 0.889 17.262 -12.431 1.00 0.00 C ATOM 1205 C GLY A 87 0.964 18.205 -11.233 1.00 0.00 C ATOM 1206 O GLY A 87 0.252 18.030 -10.246 1.00 0.00 O ATOM 0 H GLY A 87 -1.003 16.786 -11.706 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.762 16.610 -12.440 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.914 17.840 -13.355 1.00 0.00 H new ATOM 1210 N ALA A 88 1.850 19.202 -11.334 1.00 0.00 N ATOM 1211 CA ALA A 88 2.063 20.220 -10.318 1.00 0.00 C ATOM 1212 C ALA A 88 2.758 21.417 -10.973 1.00 0.00 C ATOM 1213 O ALA A 88 3.688 21.224 -11.758 1.00 0.00 O ATOM 1214 CB ALA A 88 2.850 19.647 -9.135 1.00 0.00 C ATOM 0 H ALA A 88 2.451 19.320 -12.149 1.00 0.00 H new ATOM 0 HA ALA A 88 1.112 20.559 -9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.999 20.425 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.293 18.820 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.819 19.288 -9.482 1.00 0.00 H new ATOM 1220 N ILE A 89 2.316 22.641 -10.644 1.00 0.00 N ATOM 1221 CA ILE A 89 2.839 23.886 -11.202 1.00 0.00 C ATOM 1222 C ILE A 89 3.111 24.957 -10.135 1.00 0.00 C ATOM 1223 O ILE A 89 2.792 24.746 -8.966 1.00 0.00 O ATOM 1224 CB ILE A 89 1.871 24.392 -12.292 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.480 24.713 -11.709 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.771 23.378 -13.441 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.522 25.174 -12.773 1.00 0.00 C ATOM 0 H ILE A 89 1.568 22.790 -9.967 1.00 0.00 H new ATOM 0 HA ILE A 89 3.812 23.678 -11.648 1.00 0.00 H new ATOM 0 HB ILE A 89 2.276 25.321 -12.693 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.089 23.827 -11.208 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.580 25.490 -10.951 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.084 23.754 -14.199 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.756 23.232 -13.885 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.402 22.427 -13.056 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.482 25.385 -12.302 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.149 26.077 -13.257 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.648 24.389 -13.518 1.00 0.00 H new ATOM 1239 N THR A 90 3.707 26.101 -10.534 1.00 0.00 N ATOM 1240 CA THR A 90 4.040 27.195 -9.624 1.00 0.00 C ATOM 1241 C THR A 90 4.220 28.584 -10.261 1.00 0.00 C ATOM 1242 O THR A 90 4.837 28.684 -11.321 1.00 0.00 O ATOM 1243 CB THR A 90 5.284 26.850 -8.792 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.515 27.855 -7.829 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.545 26.657 -9.646 1.00 0.00 C ATOM 0 H THR A 90 3.968 26.283 -11.503 1.00 0.00 H new ATOM 0 HA THR A 90 3.153 27.284 -8.996 1.00 0.00 H new ATOM 0 HB THR A 90 5.078 25.897 -8.304 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.413 27.477 -6.931 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.389 26.415 -9.000 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.385 25.843 -10.353 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.758 27.575 -10.193 1.00 0.00 H new ATOM 1253 N HIS A 91 3.675 29.651 -9.633 1.00 0.00 N ATOM 1254 CA HIS A 91 3.891 31.030 -10.115 1.00 0.00 C ATOM 1255 C HIS A 91 5.284 31.564 -9.733 1.00 0.00 C ATOM 1256 O HIS A 91 5.787 32.462 -10.406 1.00 0.00 O ATOM 1257 CB HIS A 91 2.914 32.089 -9.547 1.00 0.00 C ATOM 1258 CG HIS A 91 1.913 32.683 -10.468 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.485 33.999 -10.459 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.216 32.075 -11.456 1.00 0.00 C ATOM 1261 CE1 HIS A 91 0.562 34.099 -11.435 1.00 0.00 C ATOM 1262 NE2 HIS A 91 0.360 32.960 -12.095 1.00 0.00 N ATOM 0 H HIS A 91 3.089 29.583 -8.801 1.00 0.00 H new ATOM 0 HA HIS A 91 3.745 30.920 -11.190 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.374 31.633 -8.717 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.509 32.903 -9.132 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.314 31.031 -11.715 1.00 0.00 H new ATOM 0 HE1 HIS A 91 0.036 35.015 -11.661 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.269 32.782 -12.878 1.00 0.00 H new ATOM 1270 N THR A 92 5.899 31.017 -8.672 1.00 0.00 N ATOM 1271 CA THR A 92 7.197 31.398 -8.113 1.00 0.00 C ATOM 1272 C THR A 92 8.366 31.625 -9.084 1.00 0.00 C ATOM 1273 O THR A 92 9.279 32.375 -8.741 1.00 0.00 O ATOM 1274 CB THR A 92 7.580 30.429 -6.981 1.00 0.00 C ATOM 1275 OG1 THR A 92 8.404 31.081 -6.037 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.326 29.207 -7.516 1.00 0.00 C ATOM 0 H THR A 92 5.473 30.250 -8.153 1.00 0.00 H new ATOM 0 HA THR A 92 7.030 32.407 -7.735 1.00 0.00 H new ATOM 0 HB THR A 92 6.653 30.100 -6.511 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.640 30.455 -5.321 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.580 28.545 -6.688 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.691 28.675 -8.225 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.239 29.529 -8.017 1.00 0.00 H new ATOM 1284 N GLY A 93 8.357 31.007 -10.272 1.00 0.00 N ATOM 1285 CA GLY A 93 9.438 31.148 -11.244 1.00 0.00 C ATOM 1286 C GLY A 93 8.910 31.131 -12.675 1.00 0.00 C ATOM 1287 O GLY A 93 9.407 30.373 -13.506 1.00 0.00 O ATOM 0 H GLY A 93 7.600 30.398 -10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.972 32.081 -11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.156 30.339 -11.111 1.00 0.00 H new ATOM 1291 N ALA A 94 7.910 31.977 -12.953 1.00 0.00 N ATOM 1292 CA ALA A 94 7.279 32.119 -14.259 1.00 0.00 C ATOM 1293 C ALA A 94 7.555 33.498 -14.869 1.00 0.00 C ATOM 1294 O ALA A 94 8.277 34.310 -14.292 1.00 0.00 O ATOM 1295 CB ALA A 94 5.781 31.881 -14.086 1.00 0.00 C ATOM 0 H ALA A 94 7.510 32.598 -12.250 1.00 0.00 H new ATOM 0 HA ALA A 94 7.696 31.387 -14.951 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.283 31.981 -15.050 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.615 30.877 -13.695 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.374 32.614 -13.389 1.00 0.00 H new ATOM 1301 N SER A 95 6.970 33.749 -16.051 1.00 0.00 N ATOM 1302 CA SER A 95 7.083 34.991 -16.806 1.00 0.00 C ATOM 1303 C SER A 95 6.597 36.191 -15.990 1.00 0.00 C ATOM 1304 O SER A 95 7.324 37.174 -15.853 1.00 0.00 O ATOM 1305 CB SER A 95 6.292 34.852 -18.113 1.00 0.00 C ATOM 1306 OG SER A 95 6.296 36.062 -18.839 1.00 0.00 O ATOM 0 H SER A 95 6.383 33.059 -16.519 1.00 0.00 H new ATOM 0 HA SER A 95 8.133 35.174 -17.035 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.725 34.058 -18.721 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.265 34.560 -17.891 1.00 0.00 H new ATOM 0 HG SER A 95 5.787 35.947 -19.668 1.00 0.00 H new ATOM 1312 N GLY A 96 5.372 36.113 -15.459 1.00 0.00 N ATOM 1313 CA GLY A 96 4.780 37.167 -14.655 1.00 0.00 C ATOM 1314 C GLY A 96 3.454 36.680 -14.081 1.00 0.00 C ATOM 1315 O GLY A 96 3.351 36.446 -12.878 1.00 0.00 O ATOM 0 H GLY A 96 4.764 35.304 -15.582 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.457 37.448 -13.848 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.621 38.058 -15.263 1.00 0.00 H new ATOM 1319 N ASN A 97 2.453 36.523 -14.958 1.00 0.00 N ATOM 1320 CA ASN A 97 1.116 36.054 -14.620 1.00 0.00 C ATOM 1321 C ASN A 97 0.892 34.675 -15.253 1.00 0.00 C ATOM 1322 O ASN A 97 -0.217 34.351 -15.676 1.00 0.00 O ATOM 1323 CB ASN A 97 0.088 37.098 -15.090 1.00 0.00 C ATOM 1324 CG ASN A 97 -1.319 36.878 -14.529 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.517 36.106 -13.592 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -2.309 37.568 -15.105 1.00 0.00 N ATOM 0 H ASN A 97 2.562 36.727 -15.951 1.00 0.00 H new ATOM 0 HA ASN A 97 0.998 35.939 -13.542 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.433 38.090 -14.800 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.041 37.083 -16.179 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.266 37.463 -14.769 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.107 38.199 -15.880 1.00 0.00 H new ATOM 1333 N ASN A 98 1.958 33.866 -15.314 1.00 0.00 N ATOM 1334 CA ASN A 98 1.964 32.527 -15.889 1.00 0.00 C ATOM 1335 C ASN A 98 2.486 31.520 -14.862 1.00 0.00 C ATOM 1336 O ASN A 98 2.898 31.901 -13.769 1.00 0.00 O ATOM 1337 CB ASN A 98 2.803 32.532 -17.175 1.00 0.00 C ATOM 1338 CG ASN A 98 2.169 33.401 -18.262 1.00 0.00 C ATOM 1339 OD1 ASN A 98 1.498 32.885 -19.152 1.00 0.00 O ATOM 1340 ND2 ASN A 98 2.382 34.719 -18.200 1.00 0.00 N ATOM 0 H ASN A 98 2.870 34.142 -14.949 1.00 0.00 H new ATOM 0 HA ASN A 98 0.950 32.224 -16.151 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.805 32.900 -16.954 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.912 31.512 -17.542 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.981 35.334 -18.908 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.945 35.110 -17.445 1.00 0.00 H new ATOM 1347 N PHE A 99 2.473 30.233 -15.228 1.00 0.00 N ATOM 1348 CA PHE A 99 2.901 29.119 -14.391 1.00 0.00 C ATOM 1349 C PHE A 99 3.969 28.280 -15.095 1.00 0.00 C ATOM 1350 O PHE A 99 4.101 28.328 -16.317 1.00 0.00 O ATOM 1351 CB PHE A 99 1.673 28.230 -14.128 1.00 0.00 C ATOM 1352 CG PHE A 99 0.719 28.834 -13.123 1.00 0.00 C ATOM 1353 CD1 PHE A 99 -0.259 29.762 -13.534 1.00 0.00 C ATOM 1354 CD2 PHE A 99 0.816 28.464 -11.771 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -1.120 30.340 -12.584 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -0.048 29.043 -10.832 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.998 29.987 -11.229 1.00 0.00 C ATOM 0 H PHE A 99 2.152 29.934 -16.149 1.00 0.00 H new ATOM 0 HA PHE A 99 3.323 29.507 -13.464 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.145 28.060 -15.066 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.005 27.256 -13.768 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.347 30.029 -14.577 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.552 27.738 -11.458 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.871 31.051 -12.894 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.021 28.757 -9.793 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.641 30.447 -10.493 1.00 0.00 H new ATOM 1367 N VAL A 100 4.733 27.519 -14.300 1.00 0.00 N ATOM 1368 CA VAL A 100 5.784 26.610 -14.752 1.00 0.00 C ATOM 1369 C VAL A 100 5.632 25.301 -13.985 1.00 0.00 C ATOM 1370 O VAL A 100 4.998 25.269 -12.936 1.00 0.00 O ATOM 1371 CB VAL A 100 7.199 27.184 -14.600 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.428 28.307 -15.610 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.507 27.627 -13.168 1.00 0.00 C ATOM 0 H VAL A 100 4.628 27.523 -13.285 1.00 0.00 H new ATOM 0 HA VAL A 100 5.663 26.448 -15.823 1.00 0.00 H new ATOM 0 HB VAL A 100 7.904 26.381 -14.817 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.436 28.704 -15.490 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.310 27.917 -16.621 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.702 29.102 -15.441 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.521 28.024 -13.120 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.800 28.400 -12.866 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.420 26.773 -12.496 1.00 0.00 H new ATOM 1383 N GLY A 101 6.234 24.230 -14.507 1.00 0.00 N ATOM 1384 CA GLY A 101 6.160 22.891 -13.927 1.00 0.00 C ATOM 1385 C GLY A 101 7.167 22.652 -12.802 1.00 0.00 C ATOM 1386 O GLY A 101 8.189 23.333 -12.725 1.00 0.00 O ATOM 0 H GLY A 101 6.795 24.271 -15.358 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.153 22.726 -13.543 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.325 22.154 -14.713 1.00 0.00 H new ATOM 1390 N CYS A 102 6.859 21.684 -11.923 1.00 0.00 N ATOM 1391 CA CYS A 102 7.719 21.303 -10.806 1.00 0.00 C ATOM 1392 C CYS A 102 8.753 20.276 -11.266 1.00 0.00 C ATOM 1393 O CYS A 102 8.883 20.008 -12.462 1.00 0.00 O ATOM 1394 CB CYS A 102 6.903 20.731 -9.640 1.00 0.00 C ATOM 1395 SG CYS A 102 5.479 21.656 -9.025 1.00 0.00 S ATOM 0 H CYS A 102 5.996 21.143 -11.974 1.00 0.00 H new ATOM 0 HA CYS A 102 8.228 22.201 -10.456 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.549 19.745 -9.940 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.585 20.584 -8.803 1.00 0.00 H new ATOM 1400 N SER A 103 9.489 19.687 -10.314 1.00 0.00 N ATOM 1401 CA SER A 103 10.511 18.704 -10.645 1.00 0.00 C ATOM 1402 C SER A 103 9.834 17.394 -11.053 1.00 0.00 C ATOM 1403 O SER A 103 8.983 16.877 -10.331 1.00 0.00 O ATOM 1404 CB SER A 103 11.504 18.509 -9.492 1.00 0.00 C ATOM 1405 OG SER A 103 10.909 17.841 -8.405 1.00 0.00 O ATOM 0 H SER A 103 9.392 19.877 -9.317 1.00 0.00 H new ATOM 0 HA SER A 103 11.099 19.069 -11.487 1.00 0.00 H new ATOM 0 HB2 SER A 103 12.364 17.939 -9.844 1.00 0.00 H new ATOM 0 HB3 SER A 103 11.877 19.479 -9.164 1.00 0.00 H new ATOM 0 HG SER A 103 11.568 17.731 -7.688 1.00 0.00 H new ATOM 1411 N GLY A 104 10.211 16.870 -12.225 1.00 0.00 N ATOM 1412 CA GLY A 104 9.671 15.629 -12.758 1.00 0.00 C ATOM 1413 C GLY A 104 8.330 15.809 -13.476 1.00 0.00 C ATOM 1414 O GLY A 104 7.798 14.829 -13.991 1.00 0.00 O ATOM 0 H GLY A 104 10.907 17.305 -12.831 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.391 15.196 -13.452 1.00 0.00 H new ATOM 0 HA3 GLY A 104 9.546 14.916 -11.943 1.00 0.00 H new ATOM 1418 N THR A 105 7.783 17.035 -13.531 1.00 0.00 N ATOM 1419 CA THR A 105 6.518 17.305 -14.200 1.00 0.00 C ATOM 1420 C THR A 105 6.810 17.387 -15.698 1.00 0.00 C ATOM 1421 O THR A 105 7.123 18.453 -16.228 1.00 0.00 O ATOM 1422 CB THR A 105 5.883 18.594 -13.651 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.727 18.498 -12.249 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.505 18.816 -14.276 1.00 0.00 C ATOM 0 H THR A 105 8.212 17.860 -13.111 1.00 0.00 H new ATOM 0 HA THR A 105 5.792 16.513 -14.016 1.00 0.00 H new ATOM 0 HB THR A 105 6.539 19.428 -13.899 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.183 19.248 -11.928 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.068 19.732 -13.878 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.606 18.903 -15.358 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.857 17.972 -14.038 1.00 0.00 H new ATOM 1432 N ASN A 106 6.696 16.235 -16.368 1.00 0.00 N ATOM 1433 CA ASN A 106 6.950 16.068 -17.789 1.00 0.00 C ATOM 1434 C ASN A 106 5.703 16.458 -18.577 1.00 0.00 C ATOM 1435 O ASN A 106 4.673 15.775 -18.383 1.00 0.00 O ATOM 1436 CB ASN A 106 7.371 14.616 -18.054 1.00 0.00 C ATOM 1437 CG ASN A 106 7.713 14.358 -19.521 1.00 0.00 C ATOM 1438 OD1 ASN A 106 8.855 14.550 -19.935 1.00 0.00 O ATOM 1439 ND2 ASN A 106 6.731 13.915 -20.312 1.00 0.00 N ATOM 1440 OXT ASN A 106 5.797 17.443 -19.341 1.00 0.00 O ATOM 0 H ASN A 106 6.414 15.367 -15.912 1.00 0.00 H new ATOM 0 HA ASN A 106 7.761 16.719 -18.115 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.236 14.374 -17.436 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.565 13.948 -17.750 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.916 13.724 -21.297 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.796 13.768 -19.931 1.00 0.00 H new TER 1447 ASN A 106