USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 979 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 106 TYR OH : rot 67:sc= 0.637 USER MOD Set 1.2: A 110 GLN : amide:sc= 0.324 K(o=2.1,f=0.98) USER MOD Set 1.3: A 116 MET CE :methyl 169:sc= 0 (180deg=-0.26) USER MOD Set 1.4: A 131 TYR OH : rot 133:sc= 1.11 USER MOD Set 2.1: A 31 LYS NZ :NH3+ -162:sc= 1.89 (180deg=0.398) USER MOD Set 2.2: A 35 SER OG : rot -176:sc= 0.77 USER MOD Single : A 5 SER OG : rot 136:sc= 1.47 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -104:sc= 0.469 (180deg=-0.065) USER MOD Single : A 32 GLN : amide:sc=-0.00982 K(o=-0.0098,f=-0.79) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -128:sc= 0.874 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -159:sc= -1.1 (180deg=-1.21) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.422 K(o=-0.42,f=-1.8!) USER MOD Single : A 64 MET CE :methyl 161:sc= -0.418 (180deg=-1.23) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -171:sc= 1.27 USER MOD Single : A 77 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=-0.056) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 94:sc= 0.872 USER MOD Single : A 96 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 119 SER OG : rot -98:sc= 1.44 USER MOD Single : A 129 THR OG1 : rot 20:sc= 0.219 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 HIS : no HE2:sc= 0.46 K(o=0.46,f=-1.5!) USER MOD Single : A 151 THR OG1 : rot 136:sc= 0.933 USER MOD Single : A 153 GLN : amide:sc= 0.536 K(o=0.54,f=-4.6!) USER MOD Single : A 158 SER OG : rot 35:sc= 0.274 USER MOD ----------------------------------------------------------------- ATOM 19 N GLU A 2 13.526 4.636 0.604 1.00 0.00 N ATOM 20 CA GLU A 2 12.334 5.080 -0.184 1.00 0.00 C ATOM 21 C GLU A 2 11.027 4.279 0.200 1.00 0.00 C ATOM 22 O GLU A 2 10.831 3.889 1.357 1.00 0.00 O ATOM 23 CB GLU A 2 12.729 5.249 -1.691 1.00 0.00 C ATOM 24 CG GLU A 2 12.989 3.962 -2.524 1.00 0.00 C ATOM 25 CD GLU A 2 13.587 4.181 -3.903 1.00 0.00 C ATOM 26 OE1 GLU A 2 12.876 4.708 -4.777 1.00 0.00 O ATOM 27 OE2 GLU A 2 14.755 3.796 -4.138 1.00 0.00 O ATOM 0 HA GLU A 2 12.014 6.084 0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.936 5.811 -2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.629 5.863 -1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.657 3.313 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.046 3.428 -2.638 1.00 0.00 H new ATOM 34 N LEU A 3 10.059 4.118 -0.722 1.00 0.00 N ATOM 35 CA LEU A 3 8.633 3.782 -0.385 1.00 0.00 C ATOM 36 C LEU A 3 8.232 2.259 -0.402 1.00 0.00 C ATOM 37 O LEU A 3 8.859 1.425 -1.063 1.00 0.00 O ATOM 38 CB LEU A 3 7.609 4.702 -1.137 1.00 0.00 C ATOM 39 CG LEU A 3 7.970 5.376 -2.480 1.00 0.00 C ATOM 40 CD1 LEU A 3 8.388 4.353 -3.551 1.00 0.00 C ATOM 41 CD2 LEU A 3 6.782 6.241 -2.934 1.00 0.00 C ATOM 0 H LEU A 3 10.227 4.214 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 3 8.572 4.016 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.714 4.105 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.331 5.498 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 3 8.841 6.015 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.632 4.874 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.261 3.800 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.567 3.659 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.024 6.723 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.901 5.612 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.578 7.003 -2.181 1.00 0.00 H new ATOM 53 N VAL A 4 7.183 1.889 0.369 1.00 0.00 N ATOM 54 CA VAL A 4 6.906 0.463 0.748 1.00 0.00 C ATOM 55 C VAL A 4 5.361 0.146 0.733 1.00 0.00 C ATOM 56 O VAL A 4 4.554 0.790 1.405 1.00 0.00 O ATOM 57 CB VAL A 4 7.553 0.153 2.142 1.00 0.00 C ATOM 58 CG1 VAL A 4 7.246 -1.257 2.679 1.00 0.00 C ATOM 59 CG2 VAL A 4 9.074 0.372 2.235 1.00 0.00 C ATOM 0 H VAL A 4 6.507 2.552 0.747 1.00 0.00 H new ATOM 0 HA VAL A 4 7.360 -0.191 0.004 1.00 0.00 H new ATOM 0 HB VAL A 4 7.064 0.901 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.730 -1.391 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.169 -1.376 2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.622 -2.003 1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.416 0.128 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.579 -0.271 1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.306 1.414 2.016 1.00 0.00 H new ATOM 69 N SER A 5 4.907 -0.878 0.008 1.00 0.00 N ATOM 70 CA SER A 5 3.458 -1.088 -0.286 1.00 0.00 C ATOM 71 C SER A 5 2.683 -2.084 0.625 1.00 0.00 C ATOM 72 O SER A 5 3.180 -3.172 0.888 1.00 0.00 O ATOM 73 CB SER A 5 3.459 -1.476 -1.781 1.00 0.00 C ATOM 74 OG SER A 5 4.199 -2.669 -2.049 1.00 0.00 O ATOM 0 H SER A 5 5.516 -1.590 -0.397 1.00 0.00 H new ATOM 0 HA SER A 5 2.889 -0.185 -0.063 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.431 -1.610 -2.116 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.880 -0.656 -2.363 1.00 0.00 H new ATOM 0 HG SER A 5 3.692 -3.237 -2.667 1.00 0.00 H new ATOM 80 N VAL A 6 1.457 -1.776 1.086 1.00 0.00 N ATOM 81 CA VAL A 6 0.819 -2.469 2.251 1.00 0.00 C ATOM 82 C VAL A 6 -0.705 -2.767 1.967 1.00 0.00 C ATOM 83 O VAL A 6 -1.554 -1.895 2.143 1.00 0.00 O ATOM 84 CB VAL A 6 1.193 -1.854 3.683 1.00 0.00 C ATOM 85 CG1 VAL A 6 2.442 -0.939 3.759 1.00 0.00 C ATOM 86 CG2 VAL A 6 0.116 -1.058 4.452 1.00 0.00 C ATOM 0 H VAL A 6 0.874 -1.047 0.674 1.00 0.00 H new ATOM 0 HA VAL A 6 1.277 -3.453 2.347 1.00 0.00 H new ATOM 0 HB VAL A 6 1.361 -2.825 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.578 -0.593 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.323 -1.499 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.305 -0.080 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.528 -0.711 5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.197 -0.200 3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.744 -1.700 4.643 1.00 0.00 H new ATOM 96 N ALA A 7 -1.067 -3.981 1.503 1.00 0.00 N ATOM 97 CA ALA A 7 -2.491 -4.373 1.237 1.00 0.00 C ATOM 98 C ALA A 7 -2.839 -5.772 1.855 1.00 0.00 C ATOM 99 O ALA A 7 -2.012 -6.688 1.827 1.00 0.00 O ATOM 100 CB ALA A 7 -2.712 -4.351 -0.295 1.00 0.00 C ATOM 0 H ALA A 7 -0.395 -4.721 1.299 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.164 -3.663 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.741 -4.633 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.519 -3.348 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.031 -5.057 -0.771 1.00 0.00 H new ATOM 106 N ALA A 8 -4.074 -5.949 2.371 1.00 0.00 N ATOM 107 CA ALA A 8 -4.538 -7.243 2.950 1.00 0.00 C ATOM 108 C ALA A 8 -5.551 -8.052 2.042 1.00 0.00 C ATOM 109 O ALA A 8 -6.643 -7.572 1.729 1.00 0.00 O ATOM 110 CB ALA A 8 -5.028 -6.889 4.373 1.00 0.00 C ATOM 0 H ALA A 8 -4.777 -5.211 2.402 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.731 -7.974 3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.387 -7.791 4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.204 -6.464 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.838 -6.163 4.309 1.00 0.00 H new ATOM 116 N LEU A 9 -5.184 -9.283 1.608 1.00 0.00 N ATOM 117 CA LEU A 9 -5.827 -10.009 0.463 1.00 0.00 C ATOM 118 C LEU A 9 -6.029 -11.568 0.603 1.00 0.00 C ATOM 119 O LEU A 9 -5.226 -12.253 1.232 1.00 0.00 O ATOM 120 CB LEU A 9 -5.086 -9.647 -0.867 1.00 0.00 C ATOM 121 CG LEU A 9 -3.560 -9.762 -1.152 1.00 0.00 C ATOM 122 CD1 LEU A 9 -2.778 -8.603 -0.519 1.00 0.00 C ATOM 123 CD2 LEU A 9 -2.936 -11.115 -0.796 1.00 0.00 C ATOM 0 H LEU A 9 -4.427 -9.812 2.041 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.855 -9.647 0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.570 -10.245 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.339 -8.605 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.477 -9.691 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.717 -8.717 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.134 -7.658 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.927 -8.610 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.872 -11.098 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.070 -11.309 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.421 -11.903 -1.372 1.00 0.00 H new ATOM 135 N ALA A 10 -7.077 -12.136 -0.040 1.00 0.00 N ATOM 136 CA ALA A 10 -7.463 -13.580 0.091 1.00 0.00 C ATOM 137 C ALA A 10 -7.031 -14.515 -1.108 1.00 0.00 C ATOM 138 O ALA A 10 -6.063 -14.216 -1.820 1.00 0.00 O ATOM 139 CB ALA A 10 -8.992 -13.506 0.351 1.00 0.00 C ATOM 0 H ALA A 10 -7.686 -11.612 -0.668 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.923 -14.077 0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.391 -14.514 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.179 -12.937 1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.481 -13.015 -0.491 1.00 0.00 H new ATOM 145 N GLU A 11 -7.706 -15.668 -1.350 1.00 0.00 N ATOM 146 CA GLU A 11 -7.446 -16.542 -2.540 1.00 0.00 C ATOM 147 C GLU A 11 -7.736 -15.834 -3.914 1.00 0.00 C ATOM 148 O GLU A 11 -8.494 -14.860 -4.029 1.00 0.00 O ATOM 149 CB GLU A 11 -8.159 -17.920 -2.360 1.00 0.00 C ATOM 150 CG GLU A 11 -7.921 -18.974 -3.487 1.00 0.00 C ATOM 151 CD GLU A 11 -8.588 -20.330 -3.343 1.00 0.00 C ATOM 152 OE1 GLU A 11 -7.983 -21.240 -2.741 1.00 0.00 O ATOM 153 OE2 GLU A 11 -9.684 -20.515 -3.913 1.00 0.00 O ATOM 0 H GLU A 11 -8.440 -16.022 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.375 -16.740 -2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.835 -18.352 -1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.231 -17.742 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.252 -18.537 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.847 -19.137 -3.571 1.00 0.00 H new ATOM 160 N ASN A 12 -7.007 -16.283 -4.955 1.00 0.00 N ATOM 161 CA ASN A 12 -6.784 -15.490 -6.201 1.00 0.00 C ATOM 162 C ASN A 12 -6.001 -14.130 -6.046 1.00 0.00 C ATOM 163 O ASN A 12 -5.999 -13.329 -6.980 1.00 0.00 O ATOM 164 CB ASN A 12 -8.122 -15.405 -7.019 1.00 0.00 C ATOM 165 CG ASN A 12 -8.121 -16.166 -8.347 1.00 0.00 C ATOM 166 OD1 ASN A 12 -7.511 -15.767 -9.331 1.00 0.00 O ATOM 167 ND2 ASN A 12 -8.797 -17.283 -8.435 1.00 0.00 N ATOM 0 H ASN A 12 -6.555 -17.197 -4.966 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.057 -16.045 -6.794 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.933 -15.788 -6.400 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.341 -14.356 -7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.809 -17.804 -9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.312 -17.633 -7.627 1.00 0.00 H new ATOM 174 N ARG A 13 -5.300 -13.891 -4.911 1.00 0.00 N ATOM 175 CA ARG A 13 -4.779 -12.549 -4.504 1.00 0.00 C ATOM 176 C ARG A 13 -5.773 -11.336 -4.681 1.00 0.00 C ATOM 177 O ARG A 13 -5.570 -10.409 -5.464 1.00 0.00 O ATOM 178 CB ARG A 13 -3.296 -12.394 -4.965 1.00 0.00 C ATOM 179 CG ARG A 13 -3.015 -12.207 -6.477 1.00 0.00 C ATOM 180 CD ARG A 13 -1.519 -12.212 -6.858 1.00 0.00 C ATOM 181 NE ARG A 13 -0.889 -13.561 -6.855 1.00 0.00 N ATOM 182 CZ ARG A 13 -0.989 -14.459 -7.832 1.00 0.00 C ATOM 183 NH1 ARG A 13 -1.834 -14.363 -8.825 1.00 0.00 N ATOM 184 NH2 ARG A 13 -0.214 -15.492 -7.789 1.00 0.00 N ATOM 0 H ARG A 13 -5.075 -14.627 -4.241 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.734 -12.502 -3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.872 -11.539 -4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.750 -13.276 -4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.519 -13.001 -7.028 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.456 -11.264 -6.801 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.408 -11.774 -7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.977 -11.570 -6.164 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.336 -13.818 -6.038 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.466 -13.565 -8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.861 -15.087 -9.543 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.449 -15.600 -7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.265 -16.199 -8.522 1.00 0.00 H new ATOM 198 N VAL A 14 -6.879 -11.393 -3.925 1.00 0.00 N ATOM 199 CA VAL A 14 -7.998 -10.405 -3.999 1.00 0.00 C ATOM 200 C VAL A 14 -7.838 -9.342 -2.872 1.00 0.00 C ATOM 201 O VAL A 14 -8.029 -9.678 -1.698 1.00 0.00 O ATOM 202 CB VAL A 14 -9.360 -11.206 -3.942 1.00 0.00 C ATOM 203 CG1 VAL A 14 -10.598 -10.460 -3.389 1.00 0.00 C ATOM 204 CG2 VAL A 14 -9.739 -11.718 -5.351 1.00 0.00 C ATOM 0 H VAL A 14 -7.036 -12.127 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.986 -9.845 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.138 -12.000 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.461 -11.125 -3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.404 -10.144 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.801 -9.585 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.679 -12.268 -5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.852 -10.871 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.954 -12.377 -5.722 1.00 0.00 H new ATOM 214 N ILE A 15 -7.547 -8.070 -3.205 1.00 0.00 N ATOM 215 CA ILE A 15 -7.566 -6.939 -2.200 1.00 0.00 C ATOM 216 C ILE A 15 -8.956 -6.779 -1.486 1.00 0.00 C ATOM 217 O ILE A 15 -9.022 -6.781 -0.255 1.00 0.00 O ATOM 218 CB ILE A 15 -7.009 -5.581 -2.784 1.00 0.00 C ATOM 219 CG1 ILE A 15 -5.645 -5.673 -3.543 1.00 0.00 C ATOM 220 CG2 ILE A 15 -6.839 -4.504 -1.670 1.00 0.00 C ATOM 221 CD1 ILE A 15 -5.625 -4.993 -4.923 1.00 0.00 C ATOM 0 H ILE A 15 -7.295 -7.780 -4.150 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.864 -7.228 -1.418 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.772 -5.305 -3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.869 -5.225 -2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.386 -6.724 -3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.454 -3.584 -2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.804 -4.307 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.140 -4.867 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.638 -5.109 -5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.373 -5.455 -5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.849 -3.932 -4.809 1.00 0.00 H new ATOM 413 N ALA A 28 -5.654 -6.100 14.083 1.00 0.00 N ATOM 414 CA ALA A 28 -4.326 -6.412 13.489 1.00 0.00 C ATOM 415 C ALA A 28 -3.875 -5.558 12.257 1.00 0.00 C ATOM 416 O ALA A 28 -2.719 -5.131 12.235 1.00 0.00 O ATOM 417 CB ALA A 28 -4.334 -7.913 13.170 1.00 0.00 C ATOM 0 HA ALA A 28 -3.572 -6.136 14.226 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.378 -8.197 12.730 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.493 -8.479 14.088 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.137 -8.131 12.466 1.00 0.00 H new ATOM 423 N ASP A 29 -4.746 -5.292 11.271 1.00 0.00 N ATOM 424 CA ASP A 29 -4.507 -4.305 10.188 1.00 0.00 C ATOM 425 C ASP A 29 -4.418 -2.844 10.734 1.00 0.00 C ATOM 426 O ASP A 29 -3.322 -2.272 10.723 1.00 0.00 O ATOM 427 CB ASP A 29 -5.603 -4.566 9.132 1.00 0.00 C ATOM 428 CG ASP A 29 -5.576 -3.611 7.956 1.00 0.00 C ATOM 429 OD1 ASP A 29 -4.727 -3.764 7.059 1.00 0.00 O ATOM 430 OD2 ASP A 29 -6.391 -2.669 7.965 1.00 0.00 O ATOM 0 H ASP A 29 -5.650 -5.759 11.196 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.533 -4.426 9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.497 -5.585 8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.578 -4.502 9.614 1.00 0.00 H new ATOM 435 N LYS A 30 -5.495 -2.248 11.290 1.00 0.00 N ATOM 436 CA LYS A 30 -5.450 -0.850 11.814 1.00 0.00 C ATOM 437 C LYS A 30 -4.409 -0.567 12.977 1.00 0.00 C ATOM 438 O LYS A 30 -4.095 0.594 13.246 1.00 0.00 O ATOM 439 CB LYS A 30 -6.880 -0.293 12.118 1.00 0.00 C ATOM 440 CG LYS A 30 -7.171 1.165 11.626 1.00 0.00 C ATOM 441 CD LYS A 30 -7.800 1.196 10.212 1.00 0.00 C ATOM 442 CE LYS A 30 -8.312 2.528 9.634 1.00 0.00 C ATOM 443 NZ LYS A 30 -9.341 2.295 8.563 1.00 0.00 N ATOM 0 H LYS A 30 -6.403 -2.702 11.391 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.037 -0.274 10.986 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.612 -0.961 11.664 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.041 -0.330 13.195 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.843 1.656 12.330 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.242 1.736 11.620 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.058 0.803 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.637 0.498 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.744 3.132 10.432 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.476 3.094 9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.912 2.455 7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.688 1.316 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.136 2.952 8.696 1.00 0.00 H new ATOM 457 N LYS A 31 -3.849 -1.578 13.667 1.00 0.00 N ATOM 458 CA LYS A 31 -2.596 -1.471 14.473 1.00 0.00 C ATOM 459 C LYS A 31 -1.250 -1.683 13.690 1.00 0.00 C ATOM 460 O LYS A 31 -0.275 -0.984 14.014 1.00 0.00 O ATOM 461 CB LYS A 31 -2.707 -2.435 15.685 1.00 0.00 C ATOM 462 CG LYS A 31 -1.546 -2.452 16.712 1.00 0.00 C ATOM 463 CD LYS A 31 -1.348 -1.189 17.596 1.00 0.00 C ATOM 464 CE LYS A 31 -0.616 0.044 17.016 1.00 0.00 C ATOM 465 NZ LYS A 31 0.740 -0.304 16.513 1.00 0.00 N ATOM 0 H LYS A 31 -4.254 -2.514 13.687 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.528 -0.432 14.796 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.624 -2.192 16.222 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.824 -3.447 15.297 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.696 -3.305 17.374 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.619 -2.630 16.168 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.335 -0.859 17.919 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.807 -1.499 18.490 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.207 0.469 16.204 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.532 0.812 17.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.308 0.562 16.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.203 -0.951 17.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.658 -0.767 15.585 1.00 0.00 H new ATOM 479 N GLN A 32 -1.136 -2.604 12.721 1.00 0.00 N ATOM 480 CA GLN A 32 0.060 -2.710 11.837 1.00 0.00 C ATOM 481 C GLN A 32 0.244 -1.453 10.928 1.00 0.00 C ATOM 482 O GLN A 32 1.222 -0.742 11.122 1.00 0.00 O ATOM 483 CB GLN A 32 0.026 -4.074 11.107 1.00 0.00 C ATOM 484 CG GLN A 32 1.312 -4.419 10.302 1.00 0.00 C ATOM 485 CD GLN A 32 1.784 -5.856 10.509 1.00 0.00 C ATOM 486 OE1 GLN A 32 1.146 -6.815 10.095 1.00 0.00 O ATOM 487 NE2 GLN A 32 2.861 -6.063 11.224 1.00 0.00 N ATOM 0 H GLN A 32 -1.858 -3.296 12.520 1.00 0.00 H new ATOM 0 HA GLN A 32 0.973 -2.703 12.433 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.146 -4.859 11.843 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.825 -4.084 10.426 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.124 -4.255 9.241 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.110 -3.736 10.594 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.401 -5.271 11.574 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.161 -7.016 11.431 1.00 0.00 H new ATOM 496 N TYR A 33 -0.739 -1.126 10.073 1.00 0.00 N ATOM 497 CA TYR A 33 -0.892 0.202 9.409 1.00 0.00 C ATOM 498 C TYR A 33 -0.664 1.488 10.302 1.00 0.00 C ATOM 499 O TYR A 33 0.011 2.388 9.829 1.00 0.00 O ATOM 500 CB TYR A 33 -2.209 0.120 8.534 1.00 0.00 C ATOM 501 CG TYR A 33 -3.095 1.376 8.367 1.00 0.00 C ATOM 502 CD1 TYR A 33 -3.803 1.769 9.492 1.00 0.00 C ATOM 503 CD2 TYR A 33 -3.337 2.044 7.152 1.00 0.00 C ATOM 504 CE1 TYR A 33 -4.649 2.863 9.468 1.00 0.00 C ATOM 505 CE2 TYR A 33 -4.209 3.140 7.124 1.00 0.00 C ATOM 506 CZ TYR A 33 -4.864 3.545 8.274 1.00 0.00 C ATOM 507 OH TYR A 33 -5.820 4.532 8.258 1.00 0.00 O ATOM 0 H TYR A 33 -1.472 -1.785 9.811 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.045 0.388 8.748 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.918 -0.208 7.536 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.834 -0.666 8.958 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.692 1.208 10.408 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.853 1.713 6.245 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.141 3.187 10.373 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.371 3.673 6.199 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.867 4.928 7.363 1.00 0.00 H new ATOM 517 N ARG A 34 -1.104 1.611 11.574 1.00 0.00 N ATOM 518 CA ARG A 34 -0.774 2.835 12.387 1.00 0.00 C ATOM 519 C ARG A 34 0.672 2.899 12.996 1.00 0.00 C ATOM 520 O ARG A 34 1.159 3.979 13.284 1.00 0.00 O ATOM 521 CB ARG A 34 -1.850 3.086 13.478 1.00 0.00 C ATOM 522 CG ARG A 34 -3.287 3.389 12.997 1.00 0.00 C ATOM 523 CD ARG A 34 -3.697 4.860 12.823 1.00 0.00 C ATOM 524 NE ARG A 34 -5.184 4.970 12.656 1.00 0.00 N ATOM 525 CZ ARG A 34 -6.083 4.850 13.633 1.00 0.00 C ATOM 526 NH1 ARG A 34 -5.749 4.660 14.884 1.00 0.00 N ATOM 527 NH2 ARG A 34 -7.344 4.911 13.343 1.00 0.00 N ATOM 0 H ARG A 34 -1.669 0.914 12.059 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.786 3.644 11.657 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.888 2.208 14.123 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.517 3.921 14.095 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.431 2.887 12.040 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.979 2.931 13.704 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.378 5.439 13.690 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.194 5.284 11.954 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.537 5.152 11.716 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.765 4.598 15.145 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.473 4.574 15.598 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.639 5.049 12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.042 4.821 14.081 1.00 0.00 H new ATOM 541 N SER A 35 1.388 1.760 13.220 1.00 0.00 N ATOM 542 CA SER A 35 2.865 1.790 13.444 1.00 0.00 C ATOM 543 C SER A 35 3.787 1.619 12.184 1.00 0.00 C ATOM 544 O SER A 35 4.996 1.805 12.299 1.00 0.00 O ATOM 545 CB SER A 35 3.190 0.774 14.565 1.00 0.00 C ATOM 546 OG SER A 35 2.918 1.358 15.850 1.00 0.00 O ATOM 0 H SER A 35 0.977 0.827 13.250 1.00 0.00 H new ATOM 0 HA SER A 35 3.113 2.809 13.739 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.594 -0.129 14.433 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.237 0.476 14.506 1.00 0.00 H new ATOM 0 HG SER A 35 3.184 0.733 16.556 1.00 0.00 H new ATOM 552 N ARG A 36 3.227 1.268 11.023 1.00 0.00 N ATOM 553 CA ARG A 36 3.894 1.315 9.700 1.00 0.00 C ATOM 554 C ARG A 36 3.628 2.688 8.974 1.00 0.00 C ATOM 555 O ARG A 36 4.573 3.410 8.699 1.00 0.00 O ATOM 556 CB ARG A 36 3.388 0.028 8.957 1.00 0.00 C ATOM 557 CG ARG A 36 4.219 -0.500 7.767 1.00 0.00 C ATOM 558 CD ARG A 36 5.604 -1.116 8.073 1.00 0.00 C ATOM 559 NE ARG A 36 5.590 -2.575 8.380 1.00 0.00 N ATOM 560 CZ ARG A 36 5.468 -3.138 9.567 1.00 0.00 C ATOM 561 NH1 ARG A 36 5.263 -2.473 10.661 1.00 0.00 N ATOM 562 NH2 ARG A 36 5.563 -4.424 9.622 1.00 0.00 N ATOM 0 H ARG A 36 2.266 0.931 10.966 1.00 0.00 H new ATOM 0 HA ARG A 36 4.983 1.292 9.748 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.312 -0.773 9.692 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.379 0.226 8.597 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.624 -1.253 7.251 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.366 0.324 7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.258 -0.946 7.217 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.042 -0.586 8.919 1.00 0.00 H new ATOM 0 HE ARG A 36 5.685 -3.207 7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.187 -1.456 10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.177 -2.967 11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.726 -4.960 8.770 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.475 -4.904 10.518 1.00 0.00 H new ATOM 576 N VAL A 37 2.371 3.080 8.704 1.00 0.00 N ATOM 577 CA VAL A 37 2.022 4.259 7.845 1.00 0.00 C ATOM 578 C VAL A 37 1.498 5.544 8.579 1.00 0.00 C ATOM 579 O VAL A 37 1.278 6.537 7.881 1.00 0.00 O ATOM 580 CB VAL A 37 1.063 3.835 6.653 1.00 0.00 C ATOM 581 CG1 VAL A 37 1.248 2.425 6.039 1.00 0.00 C ATOM 582 CG2 VAL A 37 -0.462 4.018 6.875 1.00 0.00 C ATOM 0 H VAL A 37 1.553 2.594 9.071 1.00 0.00 H new ATOM 0 HA VAL A 37 2.986 4.580 7.449 1.00 0.00 H new ATOM 0 HB VAL A 37 1.431 4.580 5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.524 2.279 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.257 2.333 5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.093 1.670 6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.001 3.691 5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.779 3.422 7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.679 5.069 7.064 1.00 0.00 H new ATOM 592 N ALA A 38 1.183 5.576 9.890 1.00 0.00 N ATOM 593 CA ALA A 38 0.642 6.820 10.519 1.00 0.00 C ATOM 594 C ALA A 38 1.639 7.973 10.899 1.00 0.00 C ATOM 595 O ALA A 38 1.229 9.142 10.856 1.00 0.00 O ATOM 596 CB ALA A 38 -0.330 6.429 11.636 1.00 0.00 C ATOM 0 H ALA A 38 1.286 4.785 10.526 1.00 0.00 H new ATOM 0 HA ALA A 38 0.115 7.335 9.716 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.730 7.330 12.102 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.148 5.842 11.218 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.196 5.836 12.385 1.00 0.00 H new ATOM 602 N ASP A 39 2.910 7.682 11.199 1.00 0.00 N ATOM 603 CA ASP A 39 4.026 8.668 11.048 1.00 0.00 C ATOM 604 C ASP A 39 4.331 9.028 9.528 1.00 0.00 C ATOM 605 O ASP A 39 4.354 10.209 9.174 1.00 0.00 O ATOM 606 CB ASP A 39 5.227 8.113 11.880 1.00 0.00 C ATOM 607 CG ASP A 39 5.259 8.488 13.380 1.00 0.00 C ATOM 608 OD1 ASP A 39 4.269 8.246 14.110 1.00 0.00 O ATOM 609 OD2 ASP A 39 6.304 9.002 13.843 1.00 0.00 O ATOM 0 H ASP A 39 3.209 6.772 11.550 1.00 0.00 H new ATOM 0 HA ASP A 39 3.760 9.646 11.448 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.224 7.026 11.800 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.151 8.464 11.421 1.00 0.00 H new ATOM 614 N ASP A 40 4.517 8.042 8.630 1.00 0.00 N ATOM 615 CA ASP A 40 4.956 8.268 7.214 1.00 0.00 C ATOM 616 C ASP A 40 3.850 8.650 6.113 1.00 0.00 C ATOM 617 O ASP A 40 2.685 8.254 6.227 1.00 0.00 O ATOM 618 CB ASP A 40 5.705 6.960 6.830 1.00 0.00 C ATOM 619 CG ASP A 40 7.134 6.775 7.345 1.00 0.00 C ATOM 620 OD1 ASP A 40 8.090 7.189 6.655 1.00 0.00 O ATOM 621 OD2 ASP A 40 7.315 6.154 8.410 1.00 0.00 O ATOM 0 H ASP A 40 4.370 7.058 8.854 1.00 0.00 H new ATOM 0 HA ASP A 40 5.558 9.177 7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.110 6.118 7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.731 6.897 5.742 1.00 0.00 H new ATOM 626 N PRO A 41 4.161 9.381 4.983 1.00 0.00 N ATOM 627 CA PRO A 41 3.231 9.589 3.815 1.00 0.00 C ATOM 628 C PRO A 41 2.736 8.340 3.029 1.00 0.00 C ATOM 629 O PRO A 41 3.477 7.363 2.908 1.00 0.00 O ATOM 630 CB PRO A 41 4.112 10.454 2.883 1.00 0.00 C ATOM 631 CG PRO A 41 5.050 11.209 3.818 1.00 0.00 C ATOM 632 CD PRO A 41 5.413 10.143 4.850 1.00 0.00 C ATOM 0 HA PRO A 41 2.289 10.002 4.176 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.669 9.835 2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.506 11.141 2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.930 11.584 3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.561 12.069 4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.236 9.514 4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.720 10.585 5.798 1.00 0.00 H new ATOM 640 N VAL A 42 1.533 8.361 2.429 1.00 0.00 N ATOM 641 CA VAL A 42 0.970 7.145 1.755 1.00 0.00 C ATOM 642 C VAL A 42 0.582 7.426 0.264 1.00 0.00 C ATOM 643 O VAL A 42 -0.172 8.358 -0.022 1.00 0.00 O ATOM 644 CB VAL A 42 -0.202 6.534 2.593 1.00 0.00 C ATOM 645 CG1 VAL A 42 -0.757 5.220 1.999 1.00 0.00 C ATOM 646 CG2 VAL A 42 0.253 6.185 4.026 1.00 0.00 C ATOM 0 H VAL A 42 0.930 9.183 2.389 1.00 0.00 H new ATOM 0 HA VAL A 42 1.754 6.389 1.714 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.972 7.306 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.567 4.850 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.135 5.406 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.038 4.476 1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.585 5.763 4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.063 5.457 3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.602 7.088 4.527 1.00 0.00 H new ATOM 656 N VAL A 43 1.010 6.555 -0.672 1.00 0.00 N ATOM 657 CA VAL A 43 0.808 6.718 -2.150 1.00 0.00 C ATOM 658 C VAL A 43 -0.287 5.719 -2.682 1.00 0.00 C ATOM 659 O VAL A 43 -0.095 4.509 -2.778 1.00 0.00 O ATOM 660 CB VAL A 43 2.182 6.697 -2.935 1.00 0.00 C ATOM 661 CG1 VAL A 43 3.298 7.606 -2.372 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.835 5.313 -3.027 1.00 0.00 C ATOM 0 H VAL A 43 1.515 5.702 -0.432 1.00 0.00 H new ATOM 0 HA VAL A 43 0.404 7.711 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 43 1.843 7.062 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.191 7.510 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.961 8.643 -2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.529 7.307 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.771 5.388 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.036 4.938 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.163 4.627 -3.543 1.00 0.00 H new ATOM 672 N LEU A 44 -1.497 6.187 -3.011 1.00 0.00 N ATOM 673 CA LEU A 44 -2.699 5.321 -3.173 1.00 0.00 C ATOM 674 C LEU A 44 -3.621 5.697 -4.402 1.00 0.00 C ATOM 675 O LEU A 44 -3.237 6.488 -5.268 1.00 0.00 O ATOM 676 CB LEU A 44 -3.357 5.195 -1.763 1.00 0.00 C ATOM 677 CG LEU A 44 -4.059 6.486 -1.254 1.00 0.00 C ATOM 678 CD1 LEU A 44 -5.519 6.194 -0.883 1.00 0.00 C ATOM 679 CD2 LEU A 44 -3.365 7.066 -0.019 1.00 0.00 C ATOM 0 H LEU A 44 -1.683 7.176 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.429 4.315 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.088 4.387 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.590 4.908 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.006 7.210 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.994 7.109 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.050 5.825 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.551 5.441 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.888 7.967 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.380 6.331 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.333 7.314 -0.265 1.00 0.00 H new ATOM 691 N GLY A 45 -4.783 5.046 -4.581 1.00 0.00 N ATOM 692 CA GLY A 45 -5.613 5.160 -5.816 1.00 0.00 C ATOM 693 C GLY A 45 -6.815 6.120 -5.770 1.00 0.00 C ATOM 694 O GLY A 45 -6.937 6.956 -4.873 1.00 0.00 O ATOM 0 H GLY A 45 -5.183 4.423 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.962 5.473 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.984 4.166 -6.067 1.00 0.00 H new ATOM 698 N ARG A 46 -7.715 6.002 -6.742 1.00 0.00 N ATOM 699 CA ARG A 46 -9.166 6.345 -6.502 1.00 0.00 C ATOM 700 C ARG A 46 -10.048 5.132 -6.078 1.00 0.00 C ATOM 701 O ARG A 46 -10.881 5.313 -5.200 1.00 0.00 O ATOM 702 CB ARG A 46 -9.760 7.243 -7.634 1.00 0.00 C ATOM 703 CG ARG A 46 -9.342 8.741 -7.593 1.00 0.00 C ATOM 704 CD ARG A 46 -9.821 9.535 -6.350 1.00 0.00 C ATOM 705 NE ARG A 46 -11.184 10.108 -6.520 1.00 0.00 N ATOM 706 CZ ARG A 46 -11.933 10.590 -5.535 1.00 0.00 C ATOM 707 NH1 ARG A 46 -11.536 10.712 -4.302 1.00 0.00 N ATOM 708 NH2 ARG A 46 -13.158 10.865 -5.787 1.00 0.00 N ATOM 0 H ARG A 46 -7.502 5.683 -7.687 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.187 6.972 -5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.462 6.827 -8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.847 7.186 -7.585 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.255 8.798 -7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.727 9.232 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.814 8.878 -5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.116 10.341 -6.146 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.572 10.132 -7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.592 10.428 -4.040 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.169 11.092 -3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.533 10.712 -6.723 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.759 11.237 -5.051 1.00 0.00 H new ATOM 722 N THR A 47 -9.776 3.891 -6.530 1.00 0.00 N ATOM 723 CA THR A 47 -10.215 2.636 -5.834 1.00 0.00 C ATOM 724 C THR A 47 -10.019 2.655 -4.267 1.00 0.00 C ATOM 725 O THR A 47 -11.005 2.588 -3.531 1.00 0.00 O ATOM 726 CB THR A 47 -9.493 1.434 -6.545 1.00 0.00 C ATOM 727 OG1 THR A 47 -9.767 1.433 -7.945 1.00 0.00 O ATOM 728 CG2 THR A 47 -9.915 0.038 -6.070 1.00 0.00 C ATOM 0 H THR A 47 -9.248 3.717 -7.385 1.00 0.00 H new ATOM 0 HA THR A 47 -11.296 2.533 -5.928 1.00 0.00 H new ATOM 0 HB THR A 47 -8.445 1.600 -6.297 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.307 0.678 -8.368 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.358 -0.718 -6.623 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.705 -0.063 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.982 -0.098 -6.244 1.00 0.00 H new ATOM 736 N THR A 48 -8.774 2.823 -3.780 1.00 0.00 N ATOM 737 CA THR A 48 -8.491 3.035 -2.333 1.00 0.00 C ATOM 738 C THR A 48 -8.905 4.428 -1.712 1.00 0.00 C ATOM 739 O THR A 48 -9.493 4.451 -0.641 1.00 0.00 O ATOM 740 CB THR A 48 -7.006 2.672 -2.008 1.00 0.00 C ATOM 741 OG1 THR A 48 -6.104 3.388 -2.816 1.00 0.00 O ATOM 742 CG2 THR A 48 -6.553 1.209 -2.119 1.00 0.00 C ATOM 0 H THR A 48 -7.939 2.817 -4.366 1.00 0.00 H new ATOM 0 HA THR A 48 -9.169 2.346 -1.829 1.00 0.00 H new ATOM 0 HB THR A 48 -6.989 2.934 -0.950 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.479 2.764 -3.240 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.497 1.134 -1.859 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.139 0.594 -1.436 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.701 0.859 -3.141 1.00 0.00 H new ATOM 750 N PHE A 49 -8.640 5.608 -2.345 1.00 0.00 N ATOM 751 CA PHE A 49 -9.020 6.936 -1.740 1.00 0.00 C ATOM 752 C PHE A 49 -10.555 7.204 -1.621 1.00 0.00 C ATOM 753 O PHE A 49 -10.993 7.898 -0.703 1.00 0.00 O ATOM 754 CB PHE A 49 -8.278 8.108 -2.461 1.00 0.00 C ATOM 755 CG PHE A 49 -8.181 9.472 -1.734 1.00 0.00 C ATOM 756 CD1 PHE A 49 -9.308 10.264 -1.486 1.00 0.00 C ATOM 757 CD2 PHE A 49 -6.924 9.959 -1.375 1.00 0.00 C ATOM 758 CE1 PHE A 49 -9.188 11.472 -0.811 1.00 0.00 C ATOM 759 CE2 PHE A 49 -6.794 11.213 -0.788 1.00 0.00 C ATOM 760 CZ PHE A 49 -7.928 11.946 -0.462 1.00 0.00 C ATOM 0 H PHE A 49 -8.177 5.676 -3.251 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.683 6.883 -0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.264 7.775 -2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.772 8.276 -3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -10.279 9.933 -1.822 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.045 9.358 -1.554 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.070 12.041 -0.558 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.813 11.616 -0.586 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.831 12.885 0.063 1.00 0.00 H new ATOM 770 N GLU A 50 -11.400 6.712 -2.546 1.00 0.00 N ATOM 771 CA GLU A 50 -12.882 6.736 -2.369 1.00 0.00 C ATOM 772 C GLU A 50 -13.473 5.971 -1.107 1.00 0.00 C ATOM 773 O GLU A 50 -14.499 6.412 -0.568 1.00 0.00 O ATOM 774 CB GLU A 50 -13.522 6.499 -3.782 1.00 0.00 C ATOM 775 CG GLU A 50 -13.330 7.717 -4.749 1.00 0.00 C ATOM 776 CD GLU A 50 -13.661 7.634 -6.248 1.00 0.00 C ATOM 777 OE1 GLU A 50 -13.321 6.638 -6.898 1.00 0.00 O ATOM 778 OE2 GLU A 50 -14.101 8.658 -6.823 1.00 0.00 O ATOM 0 H GLU A 50 -11.093 6.293 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.205 7.719 -2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.079 5.611 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.587 6.299 -3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.923 8.536 -4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.284 8.014 -4.675 1.00 0.00 H new ATOM 785 N SER A 51 -12.738 5.005 -0.511 1.00 0.00 N ATOM 786 CA SER A 51 -12.798 4.684 0.951 1.00 0.00 C ATOM 787 C SER A 51 -12.173 5.791 1.883 1.00 0.00 C ATOM 788 O SER A 51 -12.919 6.535 2.534 1.00 0.00 O ATOM 789 CB SER A 51 -12.195 3.261 1.179 1.00 0.00 C ATOM 790 OG SER A 51 -12.854 2.607 2.263 1.00 0.00 O ATOM 0 H SER A 51 -12.081 4.418 -1.025 1.00 0.00 H new ATOM 0 HA SER A 51 -13.845 4.677 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.298 2.666 0.271 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.128 3.341 1.389 1.00 0.00 H new ATOM 0 HG SER A 51 -12.466 1.716 2.392 1.00 0.00 H new ATOM 796 N MET A 52 -10.831 5.936 1.935 1.00 0.00 N ATOM 797 CA MET A 52 -10.096 6.809 2.901 1.00 0.00 C ATOM 798 C MET A 52 -10.383 8.346 2.990 1.00 0.00 C ATOM 799 O MET A 52 -9.899 9.029 3.890 1.00 0.00 O ATOM 800 CB MET A 52 -8.602 6.765 2.547 1.00 0.00 C ATOM 801 CG MET A 52 -7.799 5.499 2.737 1.00 0.00 C ATOM 802 SD MET A 52 -6.165 6.140 2.378 1.00 0.00 S ATOM 803 CE MET A 52 -5.264 4.637 2.566 1.00 0.00 C ATOM 0 H MET A 52 -10.207 5.443 1.297 1.00 0.00 H new ATOM 0 HA MET A 52 -10.439 6.384 3.845 1.00 0.00 H new ATOM 0 HB2 MET A 52 -8.513 7.046 1.498 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.112 7.546 3.129 1.00 0.00 H new ATOM 0 HG2 MET A 52 -7.880 5.097 3.747 1.00 0.00 H new ATOM 0 HG3 MET A 52 -8.098 4.705 2.053 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.214 4.863 2.754 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.669 4.072 3.406 1.00 0.00 H new ATOM 0 HE3 MET A 52 -5.350 4.045 1.655 1.00 0.00 H new ATOM 813 N ARG A 53 -11.127 8.923 2.050 1.00 0.00 N ATOM 814 CA ARG A 53 -11.914 10.155 2.306 1.00 0.00 C ATOM 815 C ARG A 53 -12.690 10.240 3.690 1.00 0.00 C ATOM 816 O ARG A 53 -12.811 11.348 4.228 1.00 0.00 O ATOM 817 CB ARG A 53 -12.729 10.293 0.978 1.00 0.00 C ATOM 818 CG ARG A 53 -13.528 11.590 0.745 1.00 0.00 C ATOM 819 CD ARG A 53 -14.800 11.600 1.594 1.00 0.00 C ATOM 820 NE ARG A 53 -15.689 12.753 1.323 1.00 0.00 N ATOM 821 CZ ARG A 53 -16.660 13.138 2.149 1.00 0.00 C ATOM 822 NH1 ARG A 53 -16.956 12.516 3.270 1.00 0.00 N ATOM 823 NH2 ARG A 53 -17.352 14.187 1.822 1.00 0.00 N ATOM 0 H ARG A 53 -11.210 8.566 1.098 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.301 11.036 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -12.033 10.177 0.147 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -13.428 9.458 0.928 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.911 12.453 0.995 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.788 11.679 -0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.352 10.677 1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.522 11.607 2.648 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.551 13.279 0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.429 11.688 3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.713 12.861 3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.144 14.686 0.957 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.104 14.512 2.430 1.00 0.00 H new ATOM 837 N ASP A 54 -13.145 9.107 4.260 1.00 0.00 N ATOM 838 CA ASP A 54 -13.583 9.006 5.674 1.00 0.00 C ATOM 839 C ASP A 54 -12.344 8.748 6.645 1.00 0.00 C ATOM 840 O ASP A 54 -11.865 9.724 7.233 1.00 0.00 O ATOM 841 CB ASP A 54 -14.849 8.078 5.689 1.00 0.00 C ATOM 842 CG ASP A 54 -16.190 8.759 6.034 1.00 0.00 C ATOM 843 OD1 ASP A 54 -16.532 9.807 5.430 1.00 0.00 O ATOM 844 OD2 ASP A 54 -16.928 8.228 6.896 1.00 0.00 O ATOM 0 H ASP A 54 -13.221 8.226 3.751 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.941 9.931 6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.944 7.612 4.708 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.677 7.276 6.407 1.00 0.00 H new ATOM 849 N ASP A 55 -11.763 7.522 6.791 1.00 0.00 N ATOM 850 CA ASP A 55 -10.494 7.304 7.578 1.00 0.00 C ATOM 851 C ASP A 55 -9.178 7.708 6.809 1.00 0.00 C ATOM 852 O ASP A 55 -8.766 7.021 5.868 1.00 0.00 O ATOM 853 CB ASP A 55 -10.404 5.823 8.092 1.00 0.00 C ATOM 854 CG ASP A 55 -10.514 5.586 9.610 1.00 0.00 C ATOM 855 OD1 ASP A 55 -10.386 6.508 10.438 1.00 0.00 O ATOM 856 OD2 ASP A 55 -10.660 4.408 9.993 1.00 0.00 O ATOM 0 H ASP A 55 -12.144 6.670 6.380 1.00 0.00 H new ATOM 0 HA ASP A 55 -10.558 7.981 8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.193 5.250 7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.454 5.408 7.755 1.00 0.00 H new ATOM 861 N LEU A 56 -8.444 8.743 7.262 1.00 0.00 N ATOM 862 CA LEU A 56 -7.134 9.112 6.647 1.00 0.00 C ATOM 863 C LEU A 56 -5.947 8.138 7.080 1.00 0.00 C ATOM 864 O LEU A 56 -5.957 7.614 8.207 1.00 0.00 O ATOM 865 CB LEU A 56 -6.742 10.605 6.906 1.00 0.00 C ATOM 866 CG LEU A 56 -7.720 11.806 6.730 1.00 0.00 C ATOM 867 CD1 LEU A 56 -8.764 11.661 5.610 1.00 0.00 C ATOM 868 CD2 LEU A 56 -8.394 12.152 8.062 1.00 0.00 C ATOM 0 H LEU A 56 -8.723 9.338 8.042 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.282 8.990 5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.385 10.652 7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.887 10.811 6.262 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.086 12.630 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.390 12.553 5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.256 11.539 4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.387 10.788 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.073 12.993 7.919 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.955 11.289 8.421 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.634 12.421 8.796 1.00 0.00 H new ATOM 880 N PRO A 57 -4.883 7.885 6.267 1.00 0.00 N ATOM 881 CA PRO A 57 -3.739 7.021 6.675 1.00 0.00 C ATOM 882 C PRO A 57 -2.692 7.619 7.690 1.00 0.00 C ATOM 883 O PRO A 57 -2.561 7.081 8.795 1.00 0.00 O ATOM 884 CB PRO A 57 -3.196 6.612 5.292 1.00 0.00 C ATOM 885 CG PRO A 57 -3.484 7.779 4.344 1.00 0.00 C ATOM 886 CD PRO A 57 -4.796 8.347 4.871 1.00 0.00 C ATOM 0 HA PRO A 57 -4.039 6.187 7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.126 6.408 5.341 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.679 5.700 4.941 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.687 8.522 4.367 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.577 7.444 3.311 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.805 9.436 4.815 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.643 7.991 4.285 1.00 0.00 H new ATOM 894 N GLY A 58 -1.962 8.685 7.325 1.00 0.00 N ATOM 895 CA GLY A 58 -0.883 9.263 8.180 1.00 0.00 C ATOM 896 C GLY A 58 -0.555 10.749 7.944 1.00 0.00 C ATOM 897 O GLY A 58 -1.424 11.543 7.566 1.00 0.00 O ATOM 0 H GLY A 58 -2.092 9.175 6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.168 9.136 9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.026 8.682 8.025 1.00 0.00 H new ATOM 901 N SER A 59 0.715 11.131 8.146 1.00 0.00 N ATOM 902 CA SER A 59 1.224 12.502 7.823 1.00 0.00 C ATOM 903 C SER A 59 1.048 13.043 6.355 1.00 0.00 C ATOM 904 O SER A 59 1.095 14.263 6.165 1.00 0.00 O ATOM 905 CB SER A 59 2.687 12.581 8.334 1.00 0.00 C ATOM 906 OG SER A 59 3.152 13.932 8.421 1.00 0.00 O ATOM 0 H SER A 59 1.427 10.513 8.535 1.00 0.00 H new ATOM 0 HA SER A 59 0.566 13.199 8.342 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.754 12.110 9.315 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.336 12.017 7.664 1.00 0.00 H new ATOM 0 HG SER A 59 4.076 13.940 8.748 1.00 0.00 H new ATOM 912 N ALA A 60 0.756 12.210 5.327 1.00 0.00 N ATOM 913 CA ALA A 60 0.283 12.699 3.999 1.00 0.00 C ATOM 914 C ALA A 60 -0.559 11.664 3.180 1.00 0.00 C ATOM 915 O ALA A 60 -0.586 10.465 3.464 1.00 0.00 O ATOM 916 CB ALA A 60 1.482 13.271 3.214 1.00 0.00 C ATOM 0 H ALA A 60 0.838 11.195 5.387 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.436 13.498 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.143 13.630 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.922 14.097 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.229 12.490 3.072 1.00 0.00 H new ATOM 922 N GLN A 61 -1.277 12.158 2.144 1.00 0.00 N ATOM 923 CA GLN A 61 -2.247 11.338 1.369 1.00 0.00 C ATOM 924 C GLN A 61 -2.109 11.636 -0.161 1.00 0.00 C ATOM 925 O GLN A 61 -2.582 12.658 -0.669 1.00 0.00 O ATOM 926 CB GLN A 61 -3.664 11.621 1.951 1.00 0.00 C ATOM 927 CG GLN A 61 -4.644 10.435 1.856 1.00 0.00 C ATOM 928 CD GLN A 61 -6.063 10.671 2.389 1.00 0.00 C ATOM 929 OE1 GLN A 61 -6.469 11.738 2.829 1.00 0.00 O ATOM 930 NE2 GLN A 61 -6.885 9.662 2.328 1.00 0.00 N ATOM 0 H GLN A 61 -1.204 13.123 1.822 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.051 10.270 1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.562 11.908 2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.094 12.474 1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.718 10.138 0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.213 9.593 2.397 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.565 8.765 1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.849 9.770 2.644 1.00 0.00 H new ATOM 939 N ILE A 62 -1.437 10.747 -0.893 1.00 0.00 N ATOM 940 CA ILE A 62 -0.979 10.972 -2.302 1.00 0.00 C ATOM 941 C ILE A 62 -1.837 10.091 -3.264 1.00 0.00 C ATOM 942 O ILE A 62 -1.880 8.874 -3.093 1.00 0.00 O ATOM 943 CB ILE A 62 0.556 10.620 -2.372 1.00 0.00 C ATOM 944 CG1 ILE A 62 1.443 11.623 -1.582 1.00 0.00 C ATOM 945 CG2 ILE A 62 1.123 10.431 -3.811 1.00 0.00 C ATOM 946 CD1 ILE A 62 2.810 11.120 -1.094 1.00 0.00 C ATOM 0 H ILE A 62 -1.181 9.827 -0.534 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.110 12.009 -2.611 1.00 0.00 H new ATOM 0 HB ILE A 62 0.607 9.645 -1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.610 12.496 -2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.878 11.962 -0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.185 10.192 -3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.593 9.617 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.988 11.351 -4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.322 11.920 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.668 10.270 -0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.411 10.813 -1.950 1.00 0.00 H new ATOM 958 N VAL A 63 -2.455 10.642 -4.321 1.00 0.00 N ATOM 959 CA VAL A 63 -3.135 9.805 -5.354 1.00 0.00 C ATOM 960 C VAL A 63 -2.305 9.665 -6.667 1.00 0.00 C ATOM 961 O VAL A 63 -2.231 10.612 -7.452 1.00 0.00 O ATOM 962 CB VAL A 63 -4.620 10.249 -5.556 1.00 0.00 C ATOM 963 CG1 VAL A 63 -5.312 9.551 -6.748 1.00 0.00 C ATOM 964 CG2 VAL A 63 -5.452 9.906 -4.305 1.00 0.00 C ATOM 0 H VAL A 63 -2.505 11.646 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.186 8.784 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.578 11.322 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.339 9.905 -6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.774 9.782 -7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.312 8.473 -6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.485 10.220 -4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.422 8.830 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.039 10.425 -3.440 1.00 0.00 H new ATOM 974 N MET A 64 -1.816 8.451 -6.963 1.00 0.00 N ATOM 975 CA MET A 64 -1.294 8.061 -8.297 1.00 0.00 C ATOM 976 C MET A 64 -2.442 7.796 -9.345 1.00 0.00 C ATOM 977 O MET A 64 -2.850 6.660 -9.619 1.00 0.00 O ATOM 978 CB MET A 64 -0.367 6.833 -8.043 1.00 0.00 C ATOM 979 CG MET A 64 1.111 7.199 -7.773 1.00 0.00 C ATOM 980 SD MET A 64 2.207 6.183 -8.777 1.00 0.00 S ATOM 981 CE MET A 64 1.841 6.834 -10.421 1.00 0.00 C ATOM 0 H MET A 64 -1.768 7.697 -6.278 1.00 0.00 H new ATOM 0 HA MET A 64 -0.728 8.869 -8.760 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.752 6.272 -7.192 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.414 6.172 -8.908 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.277 8.253 -7.996 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.340 7.057 -6.717 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.648 6.570 -11.105 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.905 6.406 -10.782 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.748 7.919 -10.370 1.00 0.00 H new ATOM 991 N SER A 65 -2.982 8.883 -9.924 1.00 0.00 N ATOM 992 CA SER A 65 -4.039 8.822 -10.971 1.00 0.00 C ATOM 993 C SER A 65 -3.982 10.137 -11.843 1.00 0.00 C ATOM 994 O SER A 65 -2.904 10.689 -12.092 1.00 0.00 O ATOM 995 CB SER A 65 -5.422 8.530 -10.300 1.00 0.00 C ATOM 996 OG SER A 65 -6.410 8.205 -11.280 1.00 0.00 O ATOM 0 H SER A 65 -2.703 9.834 -9.684 1.00 0.00 H new ATOM 0 HA SER A 65 -3.874 7.998 -11.666 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.321 7.706 -9.594 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.744 9.401 -9.729 1.00 0.00 H new ATOM 0 HG SER A 65 -7.265 8.025 -10.836 1.00 0.00 H new ATOM 1118 N VAL A 73 -9.104 16.302 3.520 1.00 0.00 N ATOM 1119 CA VAL A 73 -8.148 16.892 4.524 1.00 0.00 C ATOM 1120 C VAL A 73 -7.116 17.886 3.864 1.00 0.00 C ATOM 1121 O VAL A 73 -6.768 17.733 2.684 1.00 0.00 O ATOM 1122 CB VAL A 73 -7.467 15.726 5.341 1.00 0.00 C ATOM 1123 CG1 VAL A 73 -6.490 14.822 4.550 1.00 0.00 C ATOM 1124 CG2 VAL A 73 -6.711 16.210 6.601 1.00 0.00 C ATOM 0 HA VAL A 73 -8.706 17.511 5.226 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.340 15.133 5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.084 14.058 5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.022 14.344 3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.676 15.427 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.269 15.354 7.111 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.923 16.904 6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.407 16.713 7.272 1.00 0.00 H new ATOM 1134 N ASP A 74 -6.559 18.836 4.640 1.00 0.00 N ATOM 1135 CA ASP A 74 -5.422 19.696 4.182 1.00 0.00 C ATOM 1136 C ASP A 74 -4.073 18.949 3.809 1.00 0.00 C ATOM 1137 O ASP A 74 -3.448 19.331 2.815 1.00 0.00 O ATOM 1138 CB ASP A 74 -5.225 20.841 5.215 1.00 0.00 C ATOM 1139 CG ASP A 74 -6.370 21.853 5.334 1.00 0.00 C ATOM 1140 OD1 ASP A 74 -7.345 21.577 6.066 1.00 0.00 O ATOM 1141 OD2 ASP A 74 -6.305 22.915 4.679 1.00 0.00 O ATOM 0 H ASP A 74 -6.870 19.037 5.590 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.709 20.103 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.061 20.393 6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.315 21.383 4.956 1.00 0.00 H new ATOM 1146 N THR A 75 -3.652 17.862 4.514 1.00 0.00 N ATOM 1147 CA THR A 75 -2.520 16.982 4.050 1.00 0.00 C ATOM 1148 C THR A 75 -2.806 15.990 2.836 1.00 0.00 C ATOM 1149 O THR A 75 -2.081 15.005 2.641 1.00 0.00 O ATOM 1150 CB THR A 75 -1.837 16.312 5.292 1.00 0.00 C ATOM 1151 OG1 THR A 75 -0.528 15.940 4.906 1.00 0.00 O ATOM 1152 CG2 THR A 75 -2.456 15.036 5.895 1.00 0.00 C ATOM 0 H THR A 75 -4.069 17.569 5.398 1.00 0.00 H new ATOM 0 HA THR A 75 -1.809 17.651 3.564 1.00 0.00 H new ATOM 0 HB THR A 75 -1.938 17.074 6.065 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.121 15.396 5.612 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.858 14.708 6.745 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.473 15.246 6.226 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.476 14.250 5.140 1.00 0.00 H new ATOM 1160 N ALA A 76 -3.829 16.260 1.992 1.00 0.00 N ATOM 1161 CA ALA A 76 -4.208 15.408 0.835 1.00 0.00 C ATOM 1162 C ALA A 76 -3.978 16.099 -0.549 1.00 0.00 C ATOM 1163 O ALA A 76 -4.403 17.224 -0.835 1.00 0.00 O ATOM 1164 CB ALA A 76 -5.661 14.938 0.991 1.00 0.00 C ATOM 0 H ALA A 76 -4.422 17.084 2.094 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.544 14.543 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.935 14.314 0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.760 14.362 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.321 15.804 1.032 1.00 0.00 H new ATOM 1170 N HIS A 77 -3.290 15.348 -1.413 1.00 0.00 N ATOM 1171 CA HIS A 77 -2.483 15.887 -2.540 1.00 0.00 C ATOM 1172 C HIS A 77 -2.477 14.813 -3.705 1.00 0.00 C ATOM 1173 O HIS A 77 -2.812 13.637 -3.512 1.00 0.00 O ATOM 1174 CB HIS A 77 -1.043 16.167 -2.013 1.00 0.00 C ATOM 1175 CG HIS A 77 -0.828 17.182 -0.876 1.00 0.00 C ATOM 1176 ND1 HIS A 77 -0.307 16.823 0.347 1.00 0.00 N ATOM 1177 CD2 HIS A 77 -0.874 18.584 -0.963 1.00 0.00 C ATOM 1178 CE1 HIS A 77 -0.122 18.051 0.926 1.00 0.00 C ATOM 1179 NE2 HIS A 77 -0.433 19.182 0.213 1.00 0.00 N ATOM 0 H HIS A 77 -3.270 14.330 -1.359 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.899 16.816 -2.929 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -0.627 15.215 -1.682 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -0.445 16.498 -2.862 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.209 19.128 -1.833 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.264 18.128 1.932 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.362 20.167 0.469 1.00 0.00 H new ATOM 1187 N ARG A 78 -2.093 15.180 -4.943 1.00 0.00 N ATOM 1188 CA ARG A 78 -2.193 14.256 -6.123 1.00 0.00 C ATOM 1189 C ARG A 78 -0.824 14.073 -6.858 1.00 0.00 C ATOM 1190 O ARG A 78 -0.275 15.038 -7.389 1.00 0.00 O ATOM 1191 CB ARG A 78 -3.336 14.773 -7.061 1.00 0.00 C ATOM 1192 CG ARG A 78 -3.925 13.734 -8.064 1.00 0.00 C ATOM 1193 CD ARG A 78 -3.150 13.485 -9.369 1.00 0.00 C ATOM 1194 NE ARG A 78 -3.142 14.694 -10.239 1.00 0.00 N ATOM 1195 CZ ARG A 78 -2.067 15.347 -10.663 1.00 0.00 C ATOM 1196 NH1 ARG A 78 -0.844 15.054 -10.327 1.00 0.00 N ATOM 1197 NH2 ARG A 78 -2.264 16.345 -11.456 1.00 0.00 N ATOM 0 H ARG A 78 -1.712 16.099 -5.166 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.449 13.254 -5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.148 15.146 -6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.955 15.621 -7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.021 12.781 -7.543 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.933 14.056 -8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.125 13.197 -9.135 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.600 12.651 -9.907 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.048 15.054 -10.537 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.662 14.274 -9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.068 15.604 -10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.213 16.600 -11.729 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.471 16.880 -11.810 1.00 0.00 H new ATOM 1211 N ALA A 79 -0.341 12.825 -6.988 1.00 0.00 N ATOM 1212 CA ALA A 79 0.819 12.466 -7.866 1.00 0.00 C ATOM 1213 C ALA A 79 0.440 12.003 -9.322 1.00 0.00 C ATOM 1214 O ALA A 79 -0.566 11.319 -9.540 1.00 0.00 O ATOM 1215 CB ALA A 79 1.523 11.305 -7.151 1.00 0.00 C ATOM 0 H ALA A 79 -0.735 12.026 -6.492 1.00 0.00 H new ATOM 0 HA ALA A 79 1.430 13.358 -8.006 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.386 10.987 -7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.854 11.632 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.830 10.471 -7.043 1.00 0.00 H new ATOM 1221 N ALA A 80 1.239 12.375 -10.335 1.00 0.00 N ATOM 1222 CA ALA A 80 1.094 11.821 -11.722 1.00 0.00 C ATOM 1223 C ALA A 80 2.027 10.616 -12.115 1.00 0.00 C ATOM 1224 O ALA A 80 1.623 9.814 -12.961 1.00 0.00 O ATOM 1225 CB ALA A 80 1.156 13.005 -12.703 1.00 0.00 C ATOM 0 H ALA A 80 1.994 13.054 -10.236 1.00 0.00 H new ATOM 0 HA ALA A 80 0.124 11.325 -11.771 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.053 12.637 -13.724 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.346 13.701 -12.485 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.113 13.517 -12.596 1.00 0.00 H new ATOM 1231 N SER A 81 3.237 10.474 -11.552 1.00 0.00 N ATOM 1232 CA SER A 81 4.123 9.289 -11.752 1.00 0.00 C ATOM 1233 C SER A 81 4.644 8.698 -10.389 1.00 0.00 C ATOM 1234 O SER A 81 4.113 9.024 -9.324 1.00 0.00 O ATOM 1235 CB SER A 81 5.222 9.758 -12.737 1.00 0.00 C ATOM 1236 OG SER A 81 5.869 8.627 -13.309 1.00 0.00 O ATOM 0 H SER A 81 3.643 11.179 -10.937 1.00 0.00 H new ATOM 0 HA SER A 81 3.595 8.438 -12.181 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.782 10.373 -13.522 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.950 10.380 -12.216 1.00 0.00 H new ATOM 0 HG SER A 81 6.562 8.928 -13.933 1.00 0.00 H new ATOM 1242 N VAL A 82 5.641 7.797 -10.404 1.00 0.00 N ATOM 1243 CA VAL A 82 6.418 7.442 -9.164 1.00 0.00 C ATOM 1244 C VAL A 82 7.463 8.544 -8.787 1.00 0.00 C ATOM 1245 O VAL A 82 7.460 8.989 -7.641 1.00 0.00 O ATOM 1246 CB VAL A 82 7.006 5.987 -9.193 1.00 0.00 C ATOM 1247 CG1 VAL A 82 7.775 5.655 -7.889 1.00 0.00 C ATOM 1248 CG2 VAL A 82 5.921 4.898 -9.404 1.00 0.00 C ATOM 0 H VAL A 82 5.939 7.297 -11.241 1.00 0.00 H new ATOM 0 HA VAL A 82 5.700 7.424 -8.344 1.00 0.00 H new ATOM 0 HB VAL A 82 7.686 5.974 -10.045 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.167 4.640 -7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.600 6.356 -7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.099 5.735 -7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.390 3.914 -9.415 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.195 4.945 -8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.414 5.069 -10.354 1.00 0.00 H new ATOM 1258 N GLU A 83 8.299 9.028 -9.715 1.00 0.00 N ATOM 1259 CA GLU A 83 9.065 10.301 -9.550 1.00 0.00 C ATOM 1260 C GLU A 83 8.252 11.570 -9.049 1.00 0.00 C ATOM 1261 O GLU A 83 8.742 12.251 -8.145 1.00 0.00 O ATOM 1262 CB GLU A 83 9.832 10.521 -10.894 1.00 0.00 C ATOM 1263 CG GLU A 83 10.917 9.465 -11.279 1.00 0.00 C ATOM 1264 CD GLU A 83 11.146 9.222 -12.761 1.00 0.00 C ATOM 1265 OE1 GLU A 83 12.002 9.904 -13.364 1.00 0.00 O ATOM 1266 OE2 GLU A 83 10.495 8.316 -13.326 1.00 0.00 O ATOM 0 H GLU A 83 8.473 8.560 -10.604 1.00 0.00 H new ATOM 0 HA GLU A 83 9.750 10.188 -8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.098 10.560 -11.699 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.312 11.499 -10.853 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.864 9.775 -10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.645 8.516 -10.818 1.00 0.00 H new ATOM 1273 N GLU A 84 7.007 11.841 -9.520 1.00 0.00 N ATOM 1274 CA GLU A 84 6.086 12.824 -8.853 1.00 0.00 C ATOM 1275 C GLU A 84 5.474 12.414 -7.456 1.00 0.00 C ATOM 1276 O GLU A 84 5.060 13.285 -6.685 1.00 0.00 O ATOM 1277 CB GLU A 84 4.899 13.210 -9.788 1.00 0.00 C ATOM 1278 CG GLU A 84 5.195 13.778 -11.209 1.00 0.00 C ATOM 1279 CD GLU A 84 4.327 14.940 -11.712 1.00 0.00 C ATOM 1280 OE1 GLU A 84 3.957 15.848 -10.941 1.00 0.00 O ATOM 1281 OE2 GLU A 84 3.973 14.925 -12.910 1.00 0.00 O ATOM 0 H GLU A 84 6.612 11.401 -10.351 1.00 0.00 H new ATOM 0 HA GLU A 84 6.758 13.659 -8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.280 12.322 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.294 13.948 -9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.235 14.104 -11.229 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.104 12.959 -11.922 1.00 0.00 H new ATOM 1288 N ALA A 85 5.322 11.113 -7.136 1.00 0.00 N ATOM 1289 CA ALA A 85 5.020 10.650 -5.752 1.00 0.00 C ATOM 1290 C ALA A 85 6.198 10.651 -4.720 1.00 0.00 C ATOM 1291 O ALA A 85 5.938 10.930 -3.542 1.00 0.00 O ATOM 1292 CB ALA A 85 4.360 9.258 -5.851 1.00 0.00 C ATOM 0 H ALA A 85 5.402 10.356 -7.815 1.00 0.00 H new ATOM 0 HA ALA A 85 4.351 11.399 -5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.127 8.894 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.441 9.331 -6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.045 8.565 -6.340 1.00 0.00 H new ATOM 1298 N VAL A 86 7.453 10.356 -5.117 1.00 0.00 N ATOM 1299 CA VAL A 86 8.664 10.563 -4.254 1.00 0.00 C ATOM 1300 C VAL A 86 8.944 12.084 -3.976 1.00 0.00 C ATOM 1301 O VAL A 86 8.985 12.476 -2.804 1.00 0.00 O ATOM 1302 CB VAL A 86 9.859 9.691 -4.803 1.00 0.00 C ATOM 1303 CG1 VAL A 86 11.255 10.082 -4.264 1.00 0.00 C ATOM 1304 CG2 VAL A 86 9.691 8.182 -4.475 1.00 0.00 C ATOM 0 H VAL A 86 7.669 9.970 -6.036 1.00 0.00 H new ATOM 0 HA VAL A 86 8.490 10.188 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 86 9.815 9.887 -5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.010 9.426 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.473 11.115 -4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.268 9.980 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.539 7.626 -4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.645 8.047 -3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.770 7.812 -4.926 1.00 0.00 H new ATOM 1314 N ASP A 87 9.052 12.945 -5.013 1.00 0.00 N ATOM 1315 CA ASP A 87 9.209 14.420 -4.845 1.00 0.00 C ATOM 1316 C ASP A 87 8.105 15.165 -4.006 1.00 0.00 C ATOM 1317 O ASP A 87 8.464 16.055 -3.222 1.00 0.00 O ATOM 1318 CB ASP A 87 9.442 15.076 -6.251 1.00 0.00 C ATOM 1319 CG ASP A 87 10.887 15.220 -6.745 1.00 0.00 C ATOM 1320 OD1 ASP A 87 11.793 14.499 -6.276 1.00 0.00 O ATOM 1321 OD2 ASP A 87 11.117 16.094 -7.615 1.00 0.00 O ATOM 0 H ASP A 87 9.034 12.646 -5.988 1.00 0.00 H new ATOM 0 HA ASP A 87 10.086 14.549 -4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.893 14.490 -6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.993 16.069 -6.235 1.00 0.00 H new ATOM 1326 N ILE A 88 6.784 14.831 -4.109 1.00 0.00 N ATOM 1327 CA ILE A 88 5.786 15.388 -3.138 1.00 0.00 C ATOM 1328 C ILE A 88 5.846 14.854 -1.671 1.00 0.00 C ATOM 1329 O ILE A 88 5.623 15.656 -0.771 1.00 0.00 O ATOM 1330 CB ILE A 88 4.302 15.646 -3.586 1.00 0.00 C ATOM 1331 CG1 ILE A 88 3.260 14.517 -3.363 1.00 0.00 C ATOM 1332 CG2 ILE A 88 4.123 16.256 -4.993 1.00 0.00 C ATOM 1333 CD1 ILE A 88 1.883 15.087 -2.967 1.00 0.00 C ATOM 0 H ILE A 88 6.396 14.209 -4.818 1.00 0.00 H new ATOM 0 HA ILE A 88 6.223 16.386 -3.150 1.00 0.00 H new ATOM 0 HB ILE A 88 4.061 16.408 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.162 13.926 -4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.614 13.843 -2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.061 16.391 -5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.627 17.221 -5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.554 15.587 -5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.179 14.268 -2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.977 15.656 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.518 15.740 -3.759 1.00 0.00 H new ATOM 1345 N ALA A 89 6.132 13.561 -1.403 1.00 0.00 N ATOM 1346 CA ALA A 89 6.474 13.093 -0.035 1.00 0.00 C ATOM 1347 C ALA A 89 7.719 13.758 0.649 1.00 0.00 C ATOM 1348 O ALA A 89 7.571 14.269 1.763 1.00 0.00 O ATOM 1349 CB ALA A 89 6.588 11.553 -0.090 1.00 0.00 C ATOM 0 H ALA A 89 6.134 12.824 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 89 5.668 13.419 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.839 11.171 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.637 11.129 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.369 11.271 -0.796 1.00 0.00 H new ATOM 1355 N ALA A 90 8.887 13.811 -0.006 1.00 0.00 N ATOM 1356 CA ALA A 90 10.079 14.553 0.511 1.00 0.00 C ATOM 1357 C ALA A 90 10.022 16.122 0.605 1.00 0.00 C ATOM 1358 O ALA A 90 10.773 16.730 1.375 1.00 0.00 O ATOM 1359 CB ALA A 90 11.236 14.070 -0.378 1.00 0.00 C ATOM 0 H ALA A 90 9.047 13.350 -0.902 1.00 0.00 H new ATOM 0 HA ALA A 90 10.177 14.323 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.159 14.562 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 90 11.349 12.991 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.022 14.314 -1.419 1.00 0.00 H new ATOM 1365 N SER A 91 9.132 16.771 -0.169 1.00 0.00 N ATOM 1366 CA SER A 91 8.826 18.220 -0.047 1.00 0.00 C ATOM 1367 C SER A 91 7.870 18.647 1.138 1.00 0.00 C ATOM 1368 O SER A 91 7.874 19.830 1.491 1.00 0.00 O ATOM 1369 CB SER A 91 8.247 18.664 -1.423 1.00 0.00 C ATOM 1370 OG SER A 91 9.218 18.644 -2.487 1.00 0.00 O ATOM 0 H SER A 91 8.598 16.307 -0.904 1.00 0.00 H new ATOM 0 HA SER A 91 9.755 18.727 0.214 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.416 18.010 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.842 19.672 -1.330 1.00 0.00 H new ATOM 0 HG SER A 91 9.175 17.783 -2.953 1.00 0.00 H new ATOM 1376 N LEU A 92 7.040 17.752 1.726 1.00 0.00 N ATOM 1377 CA LEU A 92 6.177 18.058 2.913 1.00 0.00 C ATOM 1378 C LEU A 92 6.954 17.960 4.283 1.00 0.00 C ATOM 1379 O LEU A 92 7.425 19.013 4.731 1.00 0.00 O ATOM 1380 CB LEU A 92 4.734 17.466 2.748 1.00 0.00 C ATOM 1381 CG LEU A 92 4.525 16.001 2.288 1.00 0.00 C ATOM 1382 CD1 LEU A 92 4.625 14.994 3.434 1.00 0.00 C ATOM 1383 CD2 LEU A 92 3.167 15.803 1.587 1.00 0.00 C ATOM 0 H LEU A 92 6.943 16.792 1.396 1.00 0.00 H new ATOM 0 HA LEU A 92 5.933 19.119 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.232 17.575 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.206 18.103 2.038 1.00 0.00 H new ATOM 0 HG LEU A 92 5.336 15.813 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.470 13.987 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.613 15.059 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.864 15.217 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.064 14.762 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.362 16.061 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.114 16.446 0.708 1.00 0.00 H new ATOM 1395 N ASP A 93 7.133 16.788 4.932 1.00 0.00 N ATOM 1396 CA ASP A 93 8.132 16.610 6.042 1.00 0.00 C ATOM 1397 C ASP A 93 8.461 15.082 6.269 1.00 0.00 C ATOM 1398 O ASP A 93 7.836 14.444 7.121 1.00 0.00 O ATOM 1399 CB ASP A 93 7.637 17.338 7.346 1.00 0.00 C ATOM 1400 CG ASP A 93 8.702 17.890 8.293 1.00 0.00 C ATOM 1401 OD1 ASP A 93 9.836 18.185 7.856 1.00 0.00 O ATOM 1402 OD2 ASP A 93 8.380 18.106 9.481 1.00 0.00 O ATOM 0 H ASP A 93 6.605 15.943 4.716 1.00 0.00 H new ATOM 0 HA ASP A 93 9.072 17.081 5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.993 18.164 7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.018 16.638 7.907 1.00 0.00 H new ATOM 1407 N ALA A 94 9.347 14.430 5.470 1.00 0.00 N ATOM 1408 CA ALA A 94 9.492 12.933 5.472 1.00 0.00 C ATOM 1409 C ALA A 94 10.813 12.364 4.832 1.00 0.00 C ATOM 1410 O ALA A 94 11.404 12.986 3.943 1.00 0.00 O ATOM 1411 CB ALA A 94 8.246 12.351 4.759 1.00 0.00 C ATOM 0 H ALA A 94 9.971 14.905 4.818 1.00 0.00 H new ATOM 0 HA ALA A 94 9.566 12.623 6.514 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.313 11.263 4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.346 12.650 5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.201 12.730 3.738 1.00 0.00 H new ATOM 1417 N GLU A 95 11.232 11.149 5.256 1.00 0.00 N ATOM 1418 CA GLU A 95 12.370 10.390 4.632 1.00 0.00 C ATOM 1419 C GLU A 95 11.851 9.133 3.814 1.00 0.00 C ATOM 1420 O GLU A 95 11.827 9.159 2.580 1.00 0.00 O ATOM 1421 CB GLU A 95 13.552 10.073 5.623 1.00 0.00 C ATOM 1422 CG GLU A 95 13.852 11.008 6.835 1.00 0.00 C ATOM 1423 CD GLU A 95 15.104 10.674 7.645 1.00 0.00 C ATOM 1424 OE1 GLU A 95 15.150 9.595 8.275 1.00 0.00 O ATOM 1425 OE2 GLU A 95 16.040 11.505 7.688 1.00 0.00 O ATOM 0 H GLU A 95 10.799 10.658 6.038 1.00 0.00 H new ATOM 0 HA GLU A 95 12.828 11.061 3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.374 9.075 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 95 14.463 10.019 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.944 12.030 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.993 10.987 7.506 1.00 0.00 H new ATOM 1432 N THR A 96 11.410 8.036 4.469 1.00 0.00 N ATOM 1433 CA THR A 96 10.578 6.939 3.846 1.00 0.00 C ATOM 1434 C THR A 96 9.121 7.371 3.444 1.00 0.00 C ATOM 1435 O THR A 96 8.618 8.432 3.825 1.00 0.00 O ATOM 1436 CB THR A 96 10.480 5.704 4.822 1.00 0.00 C ATOM 1437 OG1 THR A 96 10.346 6.076 6.196 1.00 0.00 O ATOM 1438 CG2 THR A 96 11.650 4.717 4.749 1.00 0.00 C ATOM 0 H THR A 96 11.614 7.869 5.454 1.00 0.00 H new ATOM 0 HA THR A 96 11.099 6.680 2.924 1.00 0.00 H new ATOM 0 HB THR A 96 9.578 5.212 4.459 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.402 6.244 6.399 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.486 3.906 5.458 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.720 4.309 3.741 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.578 5.233 4.996 1.00 0.00 H new ATOM 1446 N ALA A 97 8.423 6.514 2.671 1.00 0.00 N ATOM 1447 CA ALA A 97 6.939 6.561 2.591 1.00 0.00 C ATOM 1448 C ALA A 97 6.287 5.130 2.420 1.00 0.00 C ATOM 1449 O ALA A 97 6.950 4.091 2.386 1.00 0.00 O ATOM 1450 CB ALA A 97 6.597 7.617 1.510 1.00 0.00 C ATOM 0 H ALA A 97 8.852 5.787 2.098 1.00 0.00 H new ATOM 0 HA ALA A 97 6.484 6.879 3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.515 7.695 1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.004 8.584 1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.031 7.316 0.557 1.00 0.00 H new ATOM 1456 N TYR A 98 4.944 5.069 2.355 1.00 0.00 N ATOM 1457 CA TYR A 98 4.187 3.787 2.216 1.00 0.00 C ATOM 1458 C TYR A 98 3.107 3.861 1.086 1.00 0.00 C ATOM 1459 O TYR A 98 2.943 4.863 0.397 1.00 0.00 O ATOM 1460 CB TYR A 98 3.650 3.355 3.619 1.00 0.00 C ATOM 1461 CG TYR A 98 4.724 2.802 4.571 1.00 0.00 C ATOM 1462 CD1 TYR A 98 5.128 1.464 4.508 1.00 0.00 C ATOM 1463 CD2 TYR A 98 5.352 3.652 5.482 1.00 0.00 C ATOM 1464 CE1 TYR A 98 6.170 1.010 5.301 1.00 0.00 C ATOM 1465 CE2 TYR A 98 6.374 3.188 6.297 1.00 0.00 C ATOM 1466 CZ TYR A 98 6.787 1.862 6.205 1.00 0.00 C ATOM 1467 OH TYR A 98 7.726 1.377 7.060 1.00 0.00 O ATOM 0 H TYR A 98 4.346 5.894 2.396 1.00 0.00 H new ATOM 0 HA TYR A 98 4.853 2.994 1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.172 4.213 4.091 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.879 2.596 3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.626 0.782 3.838 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.039 4.683 5.553 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.504 -0.014 5.215 1.00 0.00 H new ATOM 0 HE2 TYR A 98 6.849 3.855 7.002 1.00 0.00 H new ATOM 0 HH TYR A 98 8.060 2.104 7.626 1.00 0.00 H new ATOM 1477 N VAL A 99 2.404 2.755 0.834 1.00 0.00 N ATOM 1478 CA VAL A 99 1.320 2.644 -0.200 1.00 0.00 C ATOM 1479 C VAL A 99 0.188 1.769 0.421 1.00 0.00 C ATOM 1480 O VAL A 99 0.509 0.760 1.026 1.00 0.00 O ATOM 1481 CB VAL A 99 1.801 2.207 -1.665 1.00 0.00 C ATOM 1482 CG1 VAL A 99 3.313 2.137 -1.929 1.00 0.00 C ATOM 1483 CG2 VAL A 99 1.118 1.009 -2.354 1.00 0.00 C ATOM 0 H VAL A 99 2.559 1.884 1.341 1.00 0.00 H new ATOM 0 HA VAL A 99 0.933 3.638 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 99 1.409 3.103 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 99 3.489 1.829 -2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.757 3.119 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.768 1.414 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.564 0.851 -3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.253 0.114 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.053 1.213 -2.468 1.00 0.00 H new ATOM 1493 N ILE A 100 -1.110 2.067 0.221 1.00 0.00 N ATOM 1494 CA ILE A 100 -2.164 1.002 0.389 1.00 0.00 C ATOM 1495 C ILE A 100 -2.295 0.143 -0.906 1.00 0.00 C ATOM 1496 O ILE A 100 -1.880 -1.017 -0.998 1.00 0.00 O ATOM 1497 CB ILE A 100 -3.492 1.471 1.121 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -3.207 2.163 2.499 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -4.523 0.342 1.372 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -2.284 1.492 3.513 1.00 0.00 C ATOM 0 H ILE A 100 -1.461 2.987 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.817 0.295 1.142 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.922 2.181 0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.794 3.149 2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.168 2.319 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.398 0.753 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.825 -0.094 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.073 -0.429 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.207 2.116 4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.691 0.518 3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.295 1.362 3.074 1.00 0.00 H new ATOM 1512 N GLY A 101 -2.845 0.742 -1.950 1.00 0.00 N ATOM 1513 CA GLY A 101 -2.877 0.064 -3.286 1.00 0.00 C ATOM 1514 C GLY A 101 -3.857 -1.113 -3.509 1.00 0.00 C ATOM 1515 O GLY A 101 -4.838 -1.340 -2.808 1.00 0.00 O ATOM 0 H GLY A 101 -3.270 1.669 -1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.100 0.824 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -1.871 -0.302 -3.493 1.00 0.00 H new ATOM 1519 N GLY A 102 -3.722 -1.808 -4.644 1.00 0.00 N ATOM 1520 CA GLY A 102 -4.141 -1.206 -5.934 1.00 0.00 C ATOM 1521 C GLY A 102 -4.521 -2.151 -7.088 1.00 0.00 C ATOM 1522 O GLY A 102 -3.627 -2.825 -7.592 1.00 0.00 O ATOM 0 H GLY A 102 -3.342 -2.752 -4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.996 -0.560 -5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.330 -0.565 -6.281 1.00 0.00 H new ATOM 1526 N ALA A 103 -5.747 -1.954 -7.610 1.00 0.00 N ATOM 1527 CA ALA A 103 -6.120 -2.237 -9.045 1.00 0.00 C ATOM 1528 C ALA A 103 -5.141 -1.720 -10.166 1.00 0.00 C ATOM 1529 O ALA A 103 -4.726 -2.480 -11.042 1.00 0.00 O ATOM 1530 CB ALA A 103 -7.543 -1.604 -9.125 1.00 0.00 C ATOM 0 H ALA A 103 -6.525 -1.592 -7.059 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.069 -3.304 -9.263 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.944 -1.737 -10.130 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.199 -2.092 -8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.481 -0.540 -8.897 1.00 0.00 H new ATOM 1536 N ALA A 104 -4.753 -0.424 -10.125 1.00 0.00 N ATOM 1537 CA ALA A 104 -3.543 0.052 -10.841 1.00 0.00 C ATOM 1538 C ALA A 104 -2.253 0.247 -9.964 1.00 0.00 C ATOM 1539 O ALA A 104 -1.155 0.135 -10.507 1.00 0.00 O ATOM 1540 CB ALA A 104 -3.926 1.340 -11.585 1.00 0.00 C ATOM 0 H ALA A 104 -5.251 0.303 -9.612 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.242 -0.740 -11.527 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.059 1.720 -12.125 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.728 1.127 -12.292 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.263 2.088 -10.868 1.00 0.00 H new ATOM 1546 N ILE A 105 -2.352 0.586 -8.654 1.00 0.00 N ATOM 1547 CA ILE A 105 -1.211 1.157 -7.850 1.00 0.00 C ATOM 1548 C ILE A 105 -0.034 0.166 -7.620 1.00 0.00 C ATOM 1549 O ILE A 105 1.027 0.403 -8.208 1.00 0.00 O ATOM 1550 CB ILE A 105 -1.667 1.841 -6.502 1.00 0.00 C ATOM 1551 CG1 ILE A 105 -2.939 2.725 -6.577 1.00 0.00 C ATOM 1552 CG2 ILE A 105 -0.555 2.618 -5.760 1.00 0.00 C ATOM 1553 CD1 ILE A 105 -2.914 3.804 -7.671 1.00 0.00 C ATOM 0 H ILE A 105 -3.212 0.477 -8.117 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.818 1.949 -8.487 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.926 0.958 -5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.802 2.080 -6.743 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.084 3.210 -5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.962 3.053 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.258 1.937 -5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.176 3.413 -6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.845 4.370 -7.645 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.075 4.478 -7.498 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.804 3.330 -8.647 1.00 0.00 H new ATOM 1565 N TYR A 106 -0.209 -0.901 -6.814 1.00 0.00 N ATOM 1566 CA TYR A 106 0.786 -2.014 -6.697 1.00 0.00 C ATOM 1567 C TYR A 106 1.398 -2.560 -8.048 1.00 0.00 C ATOM 1568 O TYR A 106 2.629 -2.650 -8.143 1.00 0.00 O ATOM 1569 CB TYR A 106 0.146 -3.152 -5.832 1.00 0.00 C ATOM 1570 CG TYR A 106 0.615 -3.308 -4.383 1.00 0.00 C ATOM 1571 CD1 TYR A 106 1.729 -4.113 -4.137 1.00 0.00 C ATOM 1572 CD2 TYR A 106 -0.142 -2.836 -3.298 1.00 0.00 C ATOM 1573 CE1 TYR A 106 2.031 -4.509 -2.839 1.00 0.00 C ATOM 1574 CE2 TYR A 106 0.185 -3.231 -2.000 1.00 0.00 C ATOM 1575 CZ TYR A 106 1.232 -4.100 -1.778 1.00 0.00 C ATOM 1576 OH TYR A 106 1.481 -4.593 -0.528 1.00 0.00 O ATOM 0 H TYR A 106 -1.033 -1.026 -6.226 1.00 0.00 H new ATOM 0 HA TYR A 106 1.665 -1.593 -6.209 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -0.932 -2.994 -5.818 1.00 0.00 H new ATOM 0 HB3 TYR A 106 0.322 -4.098 -6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.357 -4.429 -4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.975 -2.169 -3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.890 -5.137 -2.654 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.386 -2.854 -1.164 1.00 0.00 H new ATOM 0 HH TYR A 106 2.348 -4.262 -0.213 1.00 0.00 H new ATOM 1586 N ALA A 107 0.568 -2.846 -9.080 1.00 0.00 N ATOM 1587 CA ALA A 107 1.026 -3.210 -10.449 1.00 0.00 C ATOM 1588 C ALA A 107 1.958 -2.177 -11.168 1.00 0.00 C ATOM 1589 O ALA A 107 3.031 -2.563 -11.617 1.00 0.00 O ATOM 1590 CB ALA A 107 -0.259 -3.502 -11.250 1.00 0.00 C ATOM 0 H ALA A 107 -0.448 -2.831 -8.988 1.00 0.00 H new ATOM 0 HA ALA A 107 1.686 -4.074 -10.378 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.004 -3.778 -12.271 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -0.802 -4.323 -10.781 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.889 -2.612 -11.265 1.00 0.00 H new ATOM 1596 N LEU A 108 1.576 -0.884 -11.251 1.00 0.00 N ATOM 1597 CA LEU A 108 2.542 0.173 -11.659 1.00 0.00 C ATOM 1598 C LEU A 108 3.800 0.360 -10.721 1.00 0.00 C ATOM 1599 O LEU A 108 4.921 0.522 -11.218 1.00 0.00 O ATOM 1600 CB LEU A 108 1.747 1.467 -12.053 1.00 0.00 C ATOM 1601 CG LEU A 108 1.702 2.619 -11.012 1.00 0.00 C ATOM 1602 CD1 LEU A 108 2.911 3.561 -11.195 1.00 0.00 C ATOM 1603 CD2 LEU A 108 0.412 3.442 -11.104 1.00 0.00 C ATOM 0 H LEU A 108 0.635 -0.548 -11.048 1.00 0.00 H new ATOM 0 HA LEU A 108 3.064 -0.166 -12.554 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.178 1.861 -12.974 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.721 1.177 -12.280 1.00 0.00 H new ATOM 0 HG LEU A 108 1.736 2.149 -10.029 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.863 4.362 -10.457 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.835 2.998 -11.060 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.890 3.989 -12.197 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.431 4.234 -10.355 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.332 3.884 -12.097 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.446 2.794 -10.925 1.00 0.00 H new ATOM 1615 N PHE A 109 3.637 0.332 -9.391 1.00 0.00 N ATOM 1616 CA PHE A 109 4.761 0.408 -8.422 1.00 0.00 C ATOM 1617 C PHE A 109 5.869 -0.701 -8.411 1.00 0.00 C ATOM 1618 O PHE A 109 6.973 -0.375 -7.998 1.00 0.00 O ATOM 1619 CB PHE A 109 4.192 0.625 -6.976 1.00 0.00 C ATOM 1620 CG PHE A 109 4.277 2.094 -6.540 1.00 0.00 C ATOM 1621 CD1 PHE A 109 5.502 2.632 -6.157 1.00 0.00 C ATOM 1622 CD2 PHE A 109 3.160 2.928 -6.632 1.00 0.00 C ATOM 1623 CE1 PHE A 109 5.622 3.987 -5.868 1.00 0.00 C ATOM 1624 CE2 PHE A 109 3.286 4.289 -6.368 1.00 0.00 C ATOM 1625 CZ PHE A 109 4.520 4.821 -5.998 1.00 0.00 C ATOM 0 H PHE A 109 2.722 0.256 -8.946 1.00 0.00 H new ATOM 0 HA PHE A 109 5.327 1.259 -8.801 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.153 0.296 -6.942 1.00 0.00 H new ATOM 0 HB3 PHE A 109 4.746 0.005 -6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.368 1.991 -6.083 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.200 2.517 -6.908 1.00 0.00 H new ATOM 0 HE1 PHE A 109 6.570 4.389 -5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.424 4.935 -6.450 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.619 5.880 -5.813 1.00 0.00 H new ATOM 1635 N GLN A 110 5.586 -1.954 -8.848 1.00 0.00 N ATOM 1636 CA GLN A 110 6.523 -3.114 -8.712 1.00 0.00 C ATOM 1637 C GLN A 110 8.075 -2.886 -8.882 1.00 0.00 C ATOM 1638 O GLN A 110 8.802 -3.234 -7.932 1.00 0.00 O ATOM 1639 CB GLN A 110 6.014 -4.331 -9.557 1.00 0.00 C ATOM 1640 CG GLN A 110 4.661 -4.945 -9.117 1.00 0.00 C ATOM 1641 CD GLN A 110 4.303 -6.330 -9.671 1.00 0.00 C ATOM 1642 OE1 GLN A 110 3.738 -6.464 -10.752 1.00 0.00 O ATOM 1643 NE2 GLN A 110 4.536 -7.385 -8.923 1.00 0.00 N ATOM 0 H GLN A 110 4.706 -2.195 -9.304 1.00 0.00 H new ATOM 0 HA GLN A 110 6.475 -3.320 -7.643 1.00 0.00 H new ATOM 0 HB2 GLN A 110 5.926 -4.015 -10.596 1.00 0.00 H new ATOM 0 HB3 GLN A 110 6.773 -5.113 -9.525 1.00 0.00 H new ATOM 0 HG2 GLN A 110 4.656 -5.006 -8.029 1.00 0.00 H new ATOM 0 HG3 GLN A 110 3.868 -4.253 -9.401 1.00 0.00 H new ATOM 0 HE21 GLN A 110 5.005 -7.279 -8.024 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.248 -8.310 -9.242 1.00 0.00 H new ATOM 1652 N PRO A 111 8.639 -2.300 -9.981 1.00 0.00 N ATOM 1653 CA PRO A 111 10.098 -2.009 -10.082 1.00 0.00 C ATOM 1654 C PRO A 111 10.713 -0.907 -9.131 1.00 0.00 C ATOM 1655 O PRO A 111 11.927 -0.839 -8.961 1.00 0.00 O ATOM 1656 CB PRO A 111 10.239 -1.654 -11.584 1.00 0.00 C ATOM 1657 CG PRO A 111 8.856 -1.840 -12.240 1.00 0.00 C ATOM 1658 CD PRO A 111 7.865 -1.713 -11.095 1.00 0.00 C ATOM 0 HA PRO A 111 10.679 -2.862 -9.732 1.00 0.00 H new ATOM 0 HB2 PRO A 111 10.584 -0.627 -11.704 1.00 0.00 H new ATOM 0 HB3 PRO A 111 10.979 -2.297 -12.061 1.00 0.00 H new ATOM 0 HG2 PRO A 111 8.676 -1.085 -13.005 1.00 0.00 H new ATOM 0 HG3 PRO A 111 8.776 -2.812 -12.727 1.00 0.00 H new ATOM 0 HD2 PRO A 111 7.588 -0.676 -10.903 1.00 0.00 H new ATOM 0 HD3 PRO A 111 6.941 -2.259 -11.287 1.00 0.00 H new ATOM 1666 N HIS A 112 9.876 -0.046 -8.528 1.00 0.00 N ATOM 1667 CA HIS A 112 10.299 1.165 -7.766 1.00 0.00 C ATOM 1668 C HIS A 112 10.299 1.063 -6.189 1.00 0.00 C ATOM 1669 O HIS A 112 10.869 1.959 -5.570 1.00 0.00 O ATOM 1670 CB HIS A 112 9.386 2.340 -8.237 1.00 0.00 C ATOM 1671 CG HIS A 112 9.328 2.717 -9.733 1.00 0.00 C ATOM 1672 ND1 HIS A 112 10.113 3.693 -10.315 1.00 0.00 N ATOM 1673 CD2 HIS A 112 8.299 2.364 -10.632 1.00 0.00 C ATOM 1674 CE1 HIS A 112 9.474 3.860 -11.523 1.00 0.00 C ATOM 1675 NE2 HIS A 112 8.385 3.078 -11.824 1.00 0.00 N ATOM 0 H HIS A 112 8.863 -0.165 -8.551 1.00 0.00 H new ATOM 0 HA HIS A 112 11.355 1.315 -7.991 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.369 2.108 -7.921 1.00 0.00 H new ATOM 0 HB3 HIS A 112 9.694 3.231 -7.689 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.537 1.629 -10.421 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.826 4.599 -12.228 1.00 0.00 H new ATOM 0 HE2 HIS A 112 7.812 3.034 -12.667 1.00 0.00 H new ATOM 1683 N LEU A 113 9.700 0.046 -5.518 1.00 0.00 N ATOM 1684 CA LEU A 113 9.665 -0.041 -4.016 1.00 0.00 C ATOM 1685 C LEU A 113 11.048 -0.355 -3.329 1.00 0.00 C ATOM 1686 O LEU A 113 11.791 -1.208 -3.801 1.00 0.00 O ATOM 1687 CB LEU A 113 8.673 -1.185 -3.570 1.00 0.00 C ATOM 1688 CG LEU A 113 7.119 -1.075 -3.631 1.00 0.00 C ATOM 1689 CD1 LEU A 113 6.587 0.367 -3.612 1.00 0.00 C ATOM 1690 CD2 LEU A 113 6.514 -1.910 -4.769 1.00 0.00 C ATOM 0 H LEU A 113 9.232 -0.731 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 113 9.352 0.953 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.938 -2.062 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.920 -1.412 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 113 6.771 -1.514 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.498 0.354 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.906 0.860 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.979 0.911 -4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.430 -1.798 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.912 -1.566 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.770 -2.960 -4.626 1.00 0.00 H new ATOM 1702 N ASP A 114 11.327 0.156 -2.119 1.00 0.00 N ATOM 1703 CA ASP A 114 12.273 -0.516 -1.163 1.00 0.00 C ATOM 1704 C ASP A 114 11.744 -1.938 -0.696 1.00 0.00 C ATOM 1705 O ASP A 114 12.430 -2.950 -0.870 1.00 0.00 O ATOM 1706 CB ASP A 114 12.544 0.559 -0.066 1.00 0.00 C ATOM 1707 CG ASP A 114 13.447 0.181 1.105 1.00 0.00 C ATOM 1708 OD1 ASP A 114 14.693 0.226 0.994 1.00 0.00 O ATOM 1709 OD2 ASP A 114 12.895 -0.128 2.178 1.00 0.00 O ATOM 0 H ASP A 114 10.924 1.024 -1.766 1.00 0.00 H new ATOM 0 HA ASP A 114 13.228 -0.807 -1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 114 12.979 1.431 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.582 0.869 0.342 1.00 0.00 H new ATOM 1714 N ARG A 115 10.502 -2.022 -0.167 1.00 0.00 N ATOM 1715 CA ARG A 115 9.887 -3.308 0.303 1.00 0.00 C ATOM 1716 C ARG A 115 8.377 -3.518 -0.114 1.00 0.00 C ATOM 1717 O ARG A 115 7.665 -2.592 -0.516 1.00 0.00 O ATOM 1718 CB ARG A 115 10.082 -3.406 1.852 1.00 0.00 C ATOM 1719 CG ARG A 115 11.499 -3.808 2.307 1.00 0.00 C ATOM 1720 CD ARG A 115 11.855 -3.492 3.764 1.00 0.00 C ATOM 1721 NE ARG A 115 12.008 -2.014 3.915 1.00 0.00 N ATOM 1722 CZ ARG A 115 11.473 -1.240 4.843 1.00 0.00 C ATOM 1723 NH1 ARG A 115 10.803 -1.682 5.863 1.00 0.00 N ATOM 1724 NH2 ARG A 115 11.636 0.036 4.698 1.00 0.00 N ATOM 0 H ARG A 115 9.893 -1.213 -0.050 1.00 0.00 H new ATOM 0 HA ARG A 115 10.405 -4.121 -0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 115 9.834 -2.442 2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 115 9.371 -4.131 2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 115 11.619 -4.880 2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 115 12.221 -3.308 1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 115 11.075 -3.860 4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 115 12.779 -3.997 4.044 1.00 0.00 H new ATOM 0 HE ARG A 115 12.593 -1.548 3.222 1.00 0.00 H new ATOM 0 HH11 ARG A 115 10.663 -2.685 5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 115 10.417 -1.026 6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 115 12.156 0.396 3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 115 11.245 0.681 5.384 1.00 0.00 H new ATOM 1738 N MET A 116 7.848 -4.741 0.053 1.00 0.00 N ATOM 1739 CA MET A 116 6.415 -5.104 -0.204 1.00 0.00 C ATOM 1740 C MET A 116 5.781 -5.730 1.093 1.00 0.00 C ATOM 1741 O MET A 116 5.940 -6.922 1.361 1.00 0.00 O ATOM 1742 CB MET A 116 6.341 -6.085 -1.415 1.00 0.00 C ATOM 1743 CG MET A 116 5.865 -5.555 -2.762 1.00 0.00 C ATOM 1744 SD MET A 116 5.736 -6.995 -3.840 1.00 0.00 S ATOM 1745 CE MET A 116 4.468 -6.447 -4.990 1.00 0.00 C ATOM 0 H MET A 116 8.403 -5.533 0.377 1.00 0.00 H new ATOM 0 HA MET A 116 5.841 -4.212 -0.453 1.00 0.00 H new ATOM 0 HB2 MET A 116 7.336 -6.507 -1.559 1.00 0.00 H new ATOM 0 HB3 MET A 116 5.684 -6.908 -1.133 1.00 0.00 H new ATOM 0 HG2 MET A 116 4.903 -5.051 -2.666 1.00 0.00 H new ATOM 0 HG3 MET A 116 6.568 -4.826 -3.166 1.00 0.00 H new ATOM 0 HE1 MET A 116 4.414 -7.141 -5.829 1.00 0.00 H new ATOM 0 HE2 MET A 116 3.504 -6.416 -4.482 1.00 0.00 H new ATOM 0 HE3 MET A 116 4.716 -5.451 -5.358 1.00 0.00 H new ATOM 1755 N VAL A 117 5.035 -4.953 1.886 1.00 0.00 N ATOM 1756 CA VAL A 117 4.354 -5.384 3.162 1.00 0.00 C ATOM 1757 C VAL A 117 2.857 -5.857 2.941 1.00 0.00 C ATOM 1758 O VAL A 117 1.884 -5.331 3.491 1.00 0.00 O ATOM 1759 CB VAL A 117 4.571 -4.179 4.167 1.00 0.00 C ATOM 1760 CG1 VAL A 117 3.872 -4.282 5.539 1.00 0.00 C ATOM 1761 CG2 VAL A 117 6.058 -3.920 4.505 1.00 0.00 C ATOM 0 H VAL A 117 4.869 -3.970 1.671 1.00 0.00 H new ATOM 0 HA VAL A 117 4.785 -6.290 3.587 1.00 0.00 H new ATOM 0 HB VAL A 117 4.118 -3.373 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 117 4.100 -3.396 6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.794 -4.354 5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 117 4.227 -5.170 6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.133 -3.082 5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 117 6.487 -4.810 4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.603 -3.685 3.591 1.00 0.00 H new ATOM 1771 N LEU A 118 2.671 -6.907 2.134 1.00 0.00 N ATOM 1772 CA LEU A 118 1.385 -7.650 1.994 1.00 0.00 C ATOM 1773 C LEU A 118 0.885 -8.386 3.303 1.00 0.00 C ATOM 1774 O LEU A 118 1.641 -8.709 4.218 1.00 0.00 O ATOM 1775 CB LEU A 118 1.615 -8.524 0.707 1.00 0.00 C ATOM 1776 CG LEU A 118 0.828 -9.851 0.516 1.00 0.00 C ATOM 1777 CD1 LEU A 118 0.797 -10.291 -0.954 1.00 0.00 C ATOM 1778 CD2 LEU A 118 1.466 -10.991 1.310 1.00 0.00 C ATOM 0 H LEU A 118 3.414 -7.282 1.544 1.00 0.00 H new ATOM 0 HA LEU A 118 0.521 -6.998 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.400 -7.893 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.677 -8.768 0.667 1.00 0.00 H new ATOM 0 HG LEU A 118 -0.184 -9.651 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.237 -11.222 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.316 -9.519 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.816 -10.444 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.894 -11.906 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.490 -11.142 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.469 -10.739 2.370 1.00 0.00 H new ATOM 1790 N SER A 119 -0.426 -8.664 3.362 1.00 0.00 N ATOM 1791 CA SER A 119 -1.079 -9.376 4.494 1.00 0.00 C ATOM 1792 C SER A 119 -2.083 -10.444 3.942 1.00 0.00 C ATOM 1793 O SER A 119 -3.072 -10.101 3.300 1.00 0.00 O ATOM 1794 CB SER A 119 -1.761 -8.315 5.388 1.00 0.00 C ATOM 1795 OG SER A 119 -0.870 -7.833 6.391 1.00 0.00 O ATOM 0 H SER A 119 -1.078 -8.402 2.622 1.00 0.00 H new ATOM 0 HA SER A 119 -0.353 -9.921 5.097 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.103 -7.483 4.772 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.644 -8.747 5.860 1.00 0.00 H new ATOM 0 HG SER A 119 -1.039 -8.305 7.233 1.00 0.00 H new ATOM 1801 N ARG A 120 -1.838 -11.742 4.157 1.00 0.00 N ATOM 1802 CA ARG A 120 -2.663 -12.820 3.516 1.00 0.00 C ATOM 1803 C ARG A 120 -3.884 -13.208 4.412 1.00 0.00 C ATOM 1804 O ARG A 120 -3.693 -13.848 5.451 1.00 0.00 O ATOM 1805 CB ARG A 120 -1.803 -14.072 3.183 1.00 0.00 C ATOM 1806 CG ARG A 120 -0.380 -13.878 2.603 1.00 0.00 C ATOM 1807 CD ARG A 120 0.439 -15.167 2.430 1.00 0.00 C ATOM 1808 NE ARG A 120 0.981 -15.671 3.727 1.00 0.00 N ATOM 1809 CZ ARG A 120 1.764 -16.741 3.880 1.00 0.00 C ATOM 1810 NH1 ARG A 120 2.005 -17.592 2.932 1.00 0.00 N ATOM 1811 NH2 ARG A 120 2.298 -16.960 5.034 1.00 0.00 N ATOM 0 H ARG A 120 -1.090 -12.087 4.758 1.00 0.00 H new ATOM 0 HA ARG A 120 -3.047 -12.420 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -1.708 -14.657 4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -2.367 -14.678 2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -0.464 -13.388 1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 120 0.172 -13.201 3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -0.188 -15.935 1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 120 1.263 -14.982 1.741 1.00 0.00 H new ATOM 0 HE ARG A 120 0.731 -15.153 4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 120 1.587 -17.461 2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 120 2.612 -18.392 3.107 1.00 0.00 H new ATOM 0 HH21 ARG A 120 2.119 -16.321 5.809 1.00 0.00 H new ATOM 0 HH22 ARG A 120 2.899 -17.772 5.172 1.00 0.00 H new ATOM 1825 N VAL A 121 -5.112 -12.831 4.035 1.00 0.00 N ATOM 1826 CA VAL A 121 -6.332 -12.986 4.891 1.00 0.00 C ATOM 1827 C VAL A 121 -7.161 -14.224 4.375 1.00 0.00 C ATOM 1828 O VAL A 121 -7.880 -14.075 3.380 1.00 0.00 O ATOM 1829 CB VAL A 121 -7.160 -11.645 4.955 1.00 0.00 C ATOM 1830 CG1 VAL A 121 -8.177 -11.646 6.118 1.00 0.00 C ATOM 1831 CG2 VAL A 121 -6.354 -10.322 5.060 1.00 0.00 C ATOM 0 H VAL A 121 -5.306 -12.407 3.128 1.00 0.00 H new ATOM 0 HA VAL A 121 -6.047 -13.189 5.923 1.00 0.00 H new ATOM 0 HB VAL A 121 -7.643 -11.647 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -8.724 -10.703 6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -8.877 -12.471 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -7.648 -11.764 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -7.043 -9.478 5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.749 -10.335 5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -5.703 -10.222 4.191 1.00 0.00 H new ATOM 1932 N THR A 129 -11.695 -6.832 -6.821 1.00 0.00 N ATOM 1933 CA THR A 129 -10.370 -6.133 -6.930 1.00 0.00 C ATOM 1934 C THR A 129 -9.157 -7.136 -6.902 1.00 0.00 C ATOM 1935 O THR A 129 -9.106 -8.013 -6.037 1.00 0.00 O ATOM 1936 CB THR A 129 -10.210 -5.090 -5.779 1.00 0.00 C ATOM 1937 OG1 THR A 129 -11.393 -4.329 -5.587 1.00 0.00 O ATOM 1938 CG2 THR A 129 -9.115 -4.037 -6.004 1.00 0.00 C ATOM 0 HA THR A 129 -10.359 -5.626 -7.895 1.00 0.00 H new ATOM 0 HB THR A 129 -9.956 -5.721 -4.927 1.00 0.00 H new ATOM 0 HG1 THR A 129 -12.155 -4.805 -5.979 1.00 0.00 H new ATOM 0 HG21 THR A 129 -9.081 -3.359 -5.151 1.00 0.00 H new ATOM 0 HG22 THR A 129 -8.150 -4.533 -6.112 1.00 0.00 H new ATOM 0 HG23 THR A 129 -9.335 -3.471 -6.909 1.00 0.00 H new ATOM 1946 N TYR A 130 -8.155 -6.991 -7.796 1.00 0.00 N ATOM 1947 CA TYR A 130 -7.060 -8.008 -7.963 1.00 0.00 C ATOM 1948 C TYR A 130 -5.610 -7.417 -7.792 1.00 0.00 C ATOM 1949 O TYR A 130 -5.230 -6.428 -8.426 1.00 0.00 O ATOM 1950 CB TYR A 130 -7.229 -8.703 -9.345 1.00 0.00 C ATOM 1951 CG TYR A 130 -8.366 -9.738 -9.406 1.00 0.00 C ATOM 1952 CD1 TYR A 130 -9.689 -9.336 -9.623 1.00 0.00 C ATOM 1953 CD2 TYR A 130 -8.095 -11.094 -9.207 1.00 0.00 C ATOM 1954 CE1 TYR A 130 -10.716 -10.275 -9.649 1.00 0.00 C ATOM 1955 CE2 TYR A 130 -9.119 -12.037 -9.259 1.00 0.00 C ATOM 1956 CZ TYR A 130 -10.434 -11.625 -9.474 1.00 0.00 C ATOM 1957 OH TYR A 130 -11.439 -12.551 -9.503 1.00 0.00 O ATOM 0 H TYR A 130 -8.070 -6.187 -8.418 1.00 0.00 H new ATOM 0 HA TYR A 130 -7.161 -8.736 -7.158 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -7.409 -7.939 -10.102 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -6.292 -9.196 -9.606 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -9.914 -8.290 -9.771 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -7.082 -11.414 -9.011 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -11.735 -9.954 -9.806 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -8.895 -13.086 -9.133 1.00 0.00 H new ATOM 0 HH TYR A 130 -11.064 -13.446 -9.365 1.00 0.00 H new ATOM 1967 N TYR A 131 -4.788 -8.075 -6.955 1.00 0.00 N ATOM 1968 CA TYR A 131 -3.342 -7.754 -6.723 1.00 0.00 C ATOM 1969 C TYR A 131 -2.372 -8.414 -7.798 1.00 0.00 C ATOM 1970 O TYR A 131 -2.764 -9.418 -8.412 1.00 0.00 O ATOM 1971 CB TYR A 131 -3.091 -8.276 -5.264 1.00 0.00 C ATOM 1972 CG TYR A 131 -1.750 -8.011 -4.557 1.00 0.00 C ATOM 1973 CD1 TYR A 131 -0.648 -8.812 -4.866 1.00 0.00 C ATOM 1974 CD2 TYR A 131 -1.626 -7.076 -3.520 1.00 0.00 C ATOM 1975 CE1 TYR A 131 0.574 -8.621 -4.243 1.00 0.00 C ATOM 1976 CE2 TYR A 131 -0.424 -6.953 -2.828 1.00 0.00 C ATOM 1977 CZ TYR A 131 0.696 -7.687 -3.218 1.00 0.00 C ATOM 1978 OH TYR A 131 1.892 -7.551 -2.572 1.00 0.00 O ATOM 0 H TYR A 131 -5.106 -8.869 -6.399 1.00 0.00 H new ATOM 0 HA TYR A 131 -3.126 -6.691 -6.833 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -3.875 -7.857 -4.633 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -3.238 -9.356 -5.279 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -0.751 -9.594 -5.604 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -2.465 -6.449 -3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 131 1.433 -9.197 -4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -0.358 -6.284 -1.983 1.00 0.00 H new ATOM 0 HH TYR A 131 2.119 -6.600 -2.500 1.00 0.00 H new ATOM 1988 N PRO A 132 -1.104 -7.955 -8.055 1.00 0.00 N ATOM 1989 CA PRO A 132 -0.207 -8.573 -9.075 1.00 0.00 C ATOM 1990 C PRO A 132 0.708 -9.769 -8.607 1.00 0.00 C ATOM 1991 O PRO A 132 0.871 -10.046 -7.415 1.00 0.00 O ATOM 1992 CB PRO A 132 0.592 -7.342 -9.559 1.00 0.00 C ATOM 1993 CG PRO A 132 0.213 -6.160 -8.663 1.00 0.00 C ATOM 1994 CD PRO A 132 -0.504 -6.744 -7.465 1.00 0.00 C ATOM 0 HA PRO A 132 -0.778 -9.094 -9.843 1.00 0.00 H new ATOM 0 HB2 PRO A 132 1.663 -7.536 -9.504 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.361 -7.122 -10.601 1.00 0.00 H new ATOM 0 HG2 PRO A 132 1.100 -5.608 -8.353 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -0.429 -5.459 -9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 132 0.180 -6.979 -6.650 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.257 -6.065 -7.064 1.00 0.00 H new ATOM 2002 N GLU A 133 1.294 -10.495 -9.575 1.00 0.00 N ATOM 2003 CA GLU A 133 2.156 -11.688 -9.312 1.00 0.00 C ATOM 2004 C GLU A 133 3.608 -11.407 -8.752 1.00 0.00 C ATOM 2005 O GLU A 133 4.240 -10.392 -9.051 1.00 0.00 O ATOM 2006 CB GLU A 133 2.095 -12.629 -10.553 1.00 0.00 C ATOM 2007 CG GLU A 133 2.704 -12.165 -11.904 1.00 0.00 C ATOM 2008 CD GLU A 133 2.113 -12.890 -13.110 1.00 0.00 C ATOM 2009 OE1 GLU A 133 2.347 -14.108 -13.265 1.00 0.00 O ATOM 2010 OE2 GLU A 133 1.371 -12.251 -13.884 1.00 0.00 O ATOM 0 H GLU A 133 1.191 -10.281 -10.567 1.00 0.00 H new ATOM 0 HA GLU A 133 1.734 -12.206 -8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.587 -13.562 -10.278 1.00 0.00 H new ATOM 0 HB3 GLU A 133 1.046 -12.863 -10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 133 2.544 -11.093 -12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 133 3.782 -12.326 -11.884 1.00 0.00 H new ATOM 2017 N TRP A 134 4.103 -12.330 -7.909 1.00 0.00 N ATOM 2018 CA TRP A 134 5.428 -12.231 -7.206 1.00 0.00 C ATOM 2019 C TRP A 134 6.482 -13.265 -7.760 1.00 0.00 C ATOM 2020 O TRP A 134 6.163 -14.441 -7.977 1.00 0.00 O ATOM 2021 CB TRP A 134 5.179 -12.320 -5.655 1.00 0.00 C ATOM 2022 CG TRP A 134 4.305 -13.474 -5.097 1.00 0.00 C ATOM 2023 CD1 TRP A 134 4.559 -14.857 -5.247 1.00 0.00 C ATOM 2024 CD2 TRP A 134 3.041 -13.401 -4.515 1.00 0.00 C ATOM 2025 NE1 TRP A 134 3.457 -15.645 -4.842 1.00 0.00 N ATOM 2026 CE2 TRP A 134 2.537 -14.721 -4.387 1.00 0.00 C ATOM 2027 CE3 TRP A 134 2.233 -12.290 -4.148 1.00 0.00 C ATOM 2028 CZ2 TRP A 134 1.223 -14.940 -3.918 1.00 0.00 C ATOM 2029 CZ3 TRP A 134 0.941 -12.532 -3.678 1.00 0.00 C ATOM 2030 CH2 TRP A 134 0.447 -13.838 -3.555 1.00 0.00 C ATOM 0 H TRP A 134 3.598 -13.186 -7.682 1.00 0.00 H new ATOM 0 HA TRP A 134 5.889 -11.265 -7.413 1.00 0.00 H new ATOM 0 HB2 TRP A 134 6.153 -12.380 -5.169 1.00 0.00 H new ATOM 0 HB3 TRP A 134 4.723 -11.381 -5.341 1.00 0.00 H new ATOM 0 HD1 TRP A 134 5.485 -15.263 -5.626 1.00 0.00 H new ATOM 0 HE1 TRP A 134 3.363 -16.660 -4.878 1.00 0.00 H new ATOM 0 HE3 TRP A 134 2.610 -11.282 -4.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 0.826 -15.941 -3.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 0.311 -11.698 -3.404 1.00 0.00 H new ATOM 0 HH2 TRP A 134 -0.551 -13.994 -3.173 1.00 0.00 H new ATOM 2041 N ASP A 135 7.733 -12.816 -7.973 1.00 0.00 N ATOM 2042 CA ASP A 135 8.841 -13.659 -8.510 1.00 0.00 C ATOM 2043 C ASP A 135 9.837 -14.092 -7.357 1.00 0.00 C ATOM 2044 O ASP A 135 9.462 -14.347 -6.209 1.00 0.00 O ATOM 2045 CB ASP A 135 9.374 -12.828 -9.733 1.00 0.00 C ATOM 2046 CG ASP A 135 10.526 -13.437 -10.542 1.00 0.00 C ATOM 2047 OD1 ASP A 135 10.297 -14.320 -11.393 1.00 0.00 O ATOM 2048 OD2 ASP A 135 11.692 -13.085 -10.249 1.00 0.00 O ATOM 0 H ASP A 135 8.015 -11.855 -7.780 1.00 0.00 H new ATOM 0 HA ASP A 135 8.570 -14.647 -8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 135 8.540 -12.652 -10.412 1.00 0.00 H new ATOM 0 HB3 ASP A 135 9.697 -11.854 -9.365 1.00 0.00 H new ATOM 2053 N ALA A 136 11.114 -14.246 -7.712 1.00 0.00 N ATOM 2054 CA ALA A 136 12.241 -14.585 -6.808 1.00 0.00 C ATOM 2055 C ALA A 136 13.561 -13.777 -7.049 1.00 0.00 C ATOM 2056 O ALA A 136 14.350 -13.647 -6.108 1.00 0.00 O ATOM 2057 CB ALA A 136 12.471 -16.108 -6.971 1.00 0.00 C ATOM 0 H ALA A 136 11.416 -14.135 -8.680 1.00 0.00 H new ATOM 0 HA ALA A 136 11.969 -14.305 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 136 13.293 -16.423 -6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 136 11.565 -16.645 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 136 12.717 -16.330 -8.009 1.00 0.00 H new ATOM 2063 N ALA A 137 13.846 -13.286 -8.273 1.00 0.00 N ATOM 2064 CA ALA A 137 14.988 -12.367 -8.533 1.00 0.00 C ATOM 2065 C ALA A 137 14.693 -10.822 -8.650 1.00 0.00 C ATOM 2066 O ALA A 137 15.658 -10.050 -8.691 1.00 0.00 O ATOM 2067 CB ALA A 137 15.733 -12.964 -9.747 1.00 0.00 C ATOM 0 H ALA A 137 13.301 -13.509 -9.106 1.00 0.00 H new ATOM 0 HA ALA A 137 15.606 -12.335 -7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 137 16.589 -12.335 -9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 137 16.079 -13.969 -9.504 1.00 0.00 H new ATOM 0 HB3 ALA A 137 15.058 -13.010 -10.602 1.00 0.00 H new ATOM 2073 N GLU A 138 13.435 -10.343 -8.632 1.00 0.00 N ATOM 2074 CA GLU A 138 13.108 -8.939 -8.210 1.00 0.00 C ATOM 2075 C GLU A 138 13.255 -8.672 -6.651 1.00 0.00 C ATOM 2076 O GLU A 138 13.754 -7.618 -6.241 1.00 0.00 O ATOM 2077 CB GLU A 138 11.680 -8.559 -8.700 1.00 0.00 C ATOM 2078 CG GLU A 138 11.381 -8.613 -10.224 1.00 0.00 C ATOM 2079 CD GLU A 138 10.197 -7.804 -10.738 1.00 0.00 C ATOM 2080 OE1 GLU A 138 9.068 -7.984 -10.233 1.00 0.00 O ATOM 2081 OE2 GLU A 138 10.392 -7.012 -11.688 1.00 0.00 O ATOM 0 H GLU A 138 12.620 -10.894 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 138 13.852 -8.298 -8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 138 10.971 -9.219 -8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 138 11.470 -7.546 -8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 138 12.273 -8.278 -10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 138 11.220 -9.656 -10.498 1.00 0.00 H new ATOM 2088 N TRP A 139 12.805 -9.617 -5.798 1.00 0.00 N ATOM 2089 CA TRP A 139 12.620 -9.437 -4.318 1.00 0.00 C ATOM 2090 C TRP A 139 12.717 -10.776 -3.506 1.00 0.00 C ATOM 2091 O TRP A 139 12.103 -11.782 -3.878 1.00 0.00 O ATOM 2092 CB TRP A 139 11.294 -8.686 -3.960 1.00 0.00 C ATOM 2093 CG TRP A 139 9.996 -8.970 -4.759 1.00 0.00 C ATOM 2094 CD1 TRP A 139 9.669 -10.132 -5.508 1.00 0.00 C ATOM 2095 CD2 TRP A 139 9.114 -7.998 -5.199 1.00 0.00 C ATOM 2096 NE1 TRP A 139 8.667 -9.872 -6.467 1.00 0.00 N ATOM 2097 CE2 TRP A 139 8.352 -8.545 -6.264 1.00 0.00 C ATOM 2098 CE3 TRP A 139 9.058 -6.608 -4.917 1.00 0.00 C ATOM 2099 CZ2 TRP A 139 7.586 -7.700 -7.089 1.00 0.00 C ATOM 2100 CZ3 TRP A 139 8.259 -5.798 -5.722 1.00 0.00 C ATOM 2101 CH2 TRP A 139 7.534 -6.340 -6.789 1.00 0.00 C ATOM 0 H TRP A 139 12.551 -10.553 -6.114 1.00 0.00 H new ATOM 0 HA TRP A 139 13.460 -8.811 -4.015 1.00 0.00 H new ATOM 0 HB2 TRP A 139 11.079 -8.892 -2.911 1.00 0.00 H new ATOM 0 HB3 TRP A 139 11.496 -7.618 -4.041 1.00 0.00 H new ATOM 0 HD1 TRP A 139 10.131 -11.097 -5.361 1.00 0.00 H new ATOM 0 HE1 TRP A 139 8.269 -10.516 -7.151 1.00 0.00 H new ATOM 0 HE3 TRP A 139 9.622 -6.188 -4.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 7.049 -8.098 -7.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 8.199 -4.739 -5.520 1.00 0.00 H new ATOM 0 HH2 TRP A 139 6.920 -5.689 -7.394 1.00 0.00 H new ATOM 2112 N GLU A 140 13.419 -10.764 -2.357 1.00 0.00 N ATOM 2113 CA GLU A 140 13.374 -11.881 -1.357 1.00 0.00 C ATOM 2114 C GLU A 140 12.321 -11.649 -0.198 1.00 0.00 C ATOM 2115 O GLU A 140 11.455 -10.774 -0.289 1.00 0.00 O ATOM 2116 CB GLU A 140 14.841 -12.200 -0.937 1.00 0.00 C ATOM 2117 CG GLU A 140 15.511 -11.292 0.133 1.00 0.00 C ATOM 2118 CD GLU A 140 17.032 -11.355 0.161 1.00 0.00 C ATOM 2119 OE1 GLU A 140 17.586 -12.259 0.824 1.00 0.00 O ATOM 2120 OE2 GLU A 140 17.684 -10.500 -0.472 1.00 0.00 O ATOM 0 H GLU A 140 14.031 -9.995 -2.085 1.00 0.00 H new ATOM 0 HA GLU A 140 12.969 -12.791 -1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 140 14.866 -13.225 -0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 140 15.459 -12.169 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 140 15.207 -10.260 -0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 140 15.131 -11.572 1.116 1.00 0.00 H new ATOM 2127 N LEU A 141 12.352 -12.451 0.883 1.00 0.00 N ATOM 2128 CA LEU A 141 11.399 -12.324 2.026 1.00 0.00 C ATOM 2129 C LEU A 141 12.134 -11.651 3.240 1.00 0.00 C ATOM 2130 O LEU A 141 13.013 -12.265 3.853 1.00 0.00 O ATOM 2131 CB LEU A 141 10.841 -13.755 2.327 1.00 0.00 C ATOM 2132 CG LEU A 141 9.345 -13.895 2.721 1.00 0.00 C ATOM 2133 CD1 LEU A 141 8.925 -13.073 3.947 1.00 0.00 C ATOM 2134 CD2 LEU A 141 8.396 -13.594 1.551 1.00 0.00 C ATOM 0 H LEU A 141 13.030 -13.204 0.998 1.00 0.00 H new ATOM 0 HA LEU A 141 10.551 -11.678 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 141 11.011 -14.371 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 141 11.438 -14.182 3.133 1.00 0.00 H new ATOM 0 HG LEU A 141 9.253 -14.945 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 141 7.866 -13.233 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 141 9.509 -13.386 4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 141 9.102 -12.015 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 141 7.364 -13.707 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 141 8.557 -12.573 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.593 -14.289 0.734 1.00 0.00 H new ATOM 2146 N ASP A 142 11.789 -10.397 3.571 1.00 0.00 N ATOM 2147 CA ASP A 142 12.290 -9.669 4.778 1.00 0.00 C ATOM 2148 C ASP A 142 11.727 -10.260 6.132 1.00 0.00 C ATOM 2149 O ASP A 142 12.502 -10.643 7.014 1.00 0.00 O ATOM 2150 CB ASP A 142 11.946 -8.171 4.515 1.00 0.00 C ATOM 2151 CG ASP A 142 12.683 -7.096 5.318 1.00 0.00 C ATOM 2152 OD1 ASP A 142 13.930 -7.114 5.370 1.00 0.00 O ATOM 2153 OD2 ASP A 142 12.014 -6.171 5.835 1.00 0.00 O ATOM 0 H ASP A 142 11.146 -9.840 3.008 1.00 0.00 H new ATOM 0 HA ASP A 142 13.364 -9.787 4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 142 12.121 -7.972 3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 142 10.878 -8.041 4.691 1.00 0.00 H new ATOM 2158 N ALA A 143 10.386 -10.394 6.297 1.00 0.00 N ATOM 2159 CA ALA A 143 9.774 -10.964 7.529 1.00 0.00 C ATOM 2160 C ALA A 143 8.408 -11.706 7.306 1.00 0.00 C ATOM 2161 O ALA A 143 7.445 -11.103 6.817 1.00 0.00 O ATOM 2162 CB ALA A 143 9.588 -9.792 8.520 1.00 0.00 C ATOM 0 H ALA A 143 9.705 -10.115 5.591 1.00 0.00 H new ATOM 0 HA ALA A 143 10.443 -11.736 7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 143 9.140 -10.163 9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 143 10.557 -9.345 8.741 1.00 0.00 H new ATOM 0 HB3 ALA A 143 8.935 -9.041 8.076 1.00 0.00 H new ATOM 2168 N GLU A 144 8.285 -12.982 7.732 1.00 0.00 N ATOM 2169 CA GLU A 144 6.961 -13.684 7.823 1.00 0.00 C ATOM 2170 C GLU A 144 6.452 -13.837 9.307 1.00 0.00 C ATOM 2171 O GLU A 144 7.107 -14.467 10.142 1.00 0.00 O ATOM 2172 CB GLU A 144 6.976 -15.033 7.025 1.00 0.00 C ATOM 2173 CG GLU A 144 5.561 -15.355 6.459 1.00 0.00 C ATOM 2174 CD GLU A 144 5.340 -16.541 5.528 1.00 0.00 C ATOM 2175 OE1 GLU A 144 5.076 -17.665 6.002 1.00 0.00 O ATOM 2176 OE2 GLU A 144 5.238 -16.330 4.302 1.00 0.00 O ATOM 0 H GLU A 144 9.077 -13.556 8.020 1.00 0.00 H new ATOM 0 HA GLU A 144 6.221 -13.046 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 144 7.694 -14.969 6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 144 7.305 -15.843 7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 144 4.899 -15.492 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 144 5.219 -14.466 5.930 1.00 0.00 H new ATOM 2183 N THR A 145 5.261 -13.287 9.634 1.00 0.00 N ATOM 2184 CA THR A 145 4.579 -13.554 10.945 1.00 0.00 C ATOM 2185 C THR A 145 3.022 -13.690 10.827 1.00 0.00 C ATOM 2186 O THR A 145 2.345 -12.944 10.119 1.00 0.00 O ATOM 2187 CB THR A 145 5.001 -12.576 12.091 1.00 0.00 C ATOM 2188 OG1 THR A 145 4.500 -13.054 13.341 1.00 0.00 O ATOM 2189 CG2 THR A 145 4.568 -11.103 12.000 1.00 0.00 C ATOM 0 H THR A 145 4.745 -12.657 9.020 1.00 0.00 H new ATOM 0 HA THR A 145 4.949 -14.536 11.241 1.00 0.00 H new ATOM 0 HB THR A 145 6.086 -12.574 11.991 1.00 0.00 H new ATOM 0 HG1 THR A 145 4.767 -12.440 14.057 1.00 0.00 H new ATOM 0 HG21 THR A 145 4.939 -10.560 12.869 1.00 0.00 H new ATOM 0 HG22 THR A 145 4.977 -10.659 11.093 1.00 0.00 H new ATOM 0 HG23 THR A 145 3.480 -11.045 11.973 1.00 0.00 H new ATOM 2197 N ASP A 146 2.430 -14.586 11.631 1.00 0.00 N ATOM 2198 CA ASP A 146 0.958 -14.635 11.864 1.00 0.00 C ATOM 2199 C ASP A 146 0.397 -13.409 12.682 1.00 0.00 C ATOM 2200 O ASP A 146 1.061 -12.857 13.575 1.00 0.00 O ATOM 2201 CB ASP A 146 0.639 -15.975 12.584 1.00 0.00 C ATOM 2202 CG ASP A 146 0.885 -17.253 11.780 1.00 0.00 C ATOM 2203 OD1 ASP A 146 0.370 -17.364 10.649 1.00 0.00 O ATOM 2204 OD2 ASP A 146 1.602 -18.146 12.280 1.00 0.00 O ATOM 0 H ASP A 146 2.947 -15.301 12.142 1.00 0.00 H new ATOM 0 HA ASP A 146 0.459 -14.574 10.897 1.00 0.00 H new ATOM 0 HB2 ASP A 146 1.235 -16.024 13.495 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -0.407 -15.959 12.889 1.00 0.00 H new ATOM 2209 N HIS A 147 -0.846 -13.002 12.378 1.00 0.00 N ATOM 2210 CA HIS A 147 -1.575 -11.873 13.042 1.00 0.00 C ATOM 2211 C HIS A 147 -3.063 -12.301 13.407 1.00 0.00 C ATOM 2212 O HIS A 147 -3.337 -13.490 13.582 1.00 0.00 O ATOM 2213 CB HIS A 147 -1.354 -10.599 12.145 1.00 0.00 C ATOM 2214 CG HIS A 147 -0.310 -9.611 12.674 1.00 0.00 C ATOM 2215 ND1 HIS A 147 0.952 -10.001 13.039 1.00 0.00 N ATOM 2216 CD2 HIS A 147 -0.428 -8.215 12.828 1.00 0.00 C ATOM 2217 CE1 HIS A 147 1.484 -8.809 13.426 1.00 0.00 C ATOM 2218 NE2 HIS A 147 0.727 -7.665 13.370 1.00 0.00 N ATOM 0 H HIS A 147 -1.399 -13.450 11.647 1.00 0.00 H new ATOM 0 HA HIS A 147 -1.188 -11.606 14.025 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -1.055 -10.922 11.148 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -2.305 -10.078 12.039 1.00 0.00 H new ATOM 0 HD1 HIS A 147 1.376 -10.929 13.025 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -1.305 -7.645 12.559 1.00 0.00 H new ATOM 0 HE1 HIS A 147 2.504 -8.763 13.778 1.00 0.00 H new ATOM 2226 N GLU A 148 -4.022 -11.372 13.630 1.00 0.00 N ATOM 2227 CA GLU A 148 -5.383 -11.727 14.180 1.00 0.00 C ATOM 2228 C GLU A 148 -6.378 -12.370 13.139 1.00 0.00 C ATOM 2229 O GLU A 148 -6.866 -13.483 13.366 1.00 0.00 O ATOM 2230 CB GLU A 148 -6.008 -10.523 14.957 1.00 0.00 C ATOM 2231 CG GLU A 148 -5.259 -10.057 16.247 1.00 0.00 C ATOM 2232 CD GLU A 148 -5.797 -8.802 16.924 1.00 0.00 C ATOM 2233 OE1 GLU A 148 -6.789 -8.895 17.675 1.00 0.00 O ATOM 2234 OE2 GLU A 148 -5.212 -7.717 16.732 1.00 0.00 O ATOM 0 H GLU A 148 -3.896 -10.377 13.445 1.00 0.00 H new ATOM 0 HA GLU A 148 -5.208 -12.534 14.892 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -6.073 -9.675 14.276 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -7.028 -10.789 15.233 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -5.283 -10.873 16.970 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -4.213 -9.887 15.993 1.00 0.00 H new ATOM 2241 N GLY A 149 -6.672 -11.700 12.008 1.00 0.00 N ATOM 2242 CA GLY A 149 -7.332 -12.352 10.827 1.00 0.00 C ATOM 2243 C GLY A 149 -6.430 -13.018 9.740 1.00 0.00 C ATOM 2244 O GLY A 149 -6.953 -13.661 8.834 1.00 0.00 O ATOM 0 H GLY A 149 -6.469 -10.709 11.873 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -8.011 -13.115 11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -7.945 -11.598 10.332 1.00 0.00 H new ATOM 2248 N PHE A 150 -5.100 -12.809 9.759 1.00 0.00 N ATOM 2249 CA PHE A 150 -4.217 -12.955 8.561 1.00 0.00 C ATOM 2250 C PHE A 150 -2.736 -13.379 8.854 1.00 0.00 C ATOM 2251 O PHE A 150 -2.292 -13.415 10.000 1.00 0.00 O ATOM 2252 CB PHE A 150 -4.303 -11.620 7.749 1.00 0.00 C ATOM 2253 CG PHE A 150 -3.763 -10.326 8.385 1.00 0.00 C ATOM 2254 CD1 PHE A 150 -2.394 -10.057 8.431 1.00 0.00 C ATOM 2255 CD2 PHE A 150 -4.663 -9.398 8.905 1.00 0.00 C ATOM 2256 CE1 PHE A 150 -1.924 -8.883 9.031 1.00 0.00 C ATOM 2257 CE2 PHE A 150 -4.198 -8.216 9.474 1.00 0.00 C ATOM 2258 CZ PHE A 150 -2.835 -7.962 9.544 1.00 0.00 C ATOM 0 H PHE A 150 -4.596 -12.533 10.602 1.00 0.00 H new ATOM 0 HA PHE A 150 -4.588 -13.799 7.979 1.00 0.00 H new ATOM 0 HB2 PHE A 150 -3.773 -11.771 6.809 1.00 0.00 H new ATOM 0 HB3 PHE A 150 -5.351 -11.453 7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 150 -1.694 -10.758 8.001 1.00 0.00 H new ATOM 0 HD2 PHE A 150 -5.724 -9.596 8.866 1.00 0.00 H new ATOM 0 HE1 PHE A 150 -0.863 -8.692 9.096 1.00 0.00 H new ATOM 0 HE2 PHE A 150 -4.900 -7.493 9.863 1.00 0.00 H new ATOM 0 HZ PHE A 150 -2.480 -7.048 9.997 1.00 0.00 H new ATOM 2268 N THR A 151 -1.941 -13.628 7.795 1.00 0.00 N ATOM 2269 CA THR A 151 -0.458 -13.841 7.894 1.00 0.00 C ATOM 2270 C THR A 151 0.316 -12.724 7.097 1.00 0.00 C ATOM 2271 O THR A 151 0.340 -12.686 5.860 1.00 0.00 O ATOM 2272 CB THR A 151 -0.018 -15.324 7.624 1.00 0.00 C ATOM 2273 OG1 THR A 151 1.327 -15.381 7.151 1.00 0.00 O ATOM 2274 CG2 THR A 151 -0.861 -16.191 6.673 1.00 0.00 C ATOM 0 H THR A 151 -2.295 -13.690 6.841 1.00 0.00 H new ATOM 0 HA THR A 151 -0.156 -13.710 8.933 1.00 0.00 H new ATOM 0 HB THR A 151 -0.164 -15.758 8.613 1.00 0.00 H new ATOM 0 HG1 THR A 151 1.805 -16.103 7.610 1.00 0.00 H new ATOM 0 HG21 THR A 151 -0.419 -17.185 6.598 1.00 0.00 H new ATOM 0 HG22 THR A 151 -1.877 -16.274 7.060 1.00 0.00 H new ATOM 0 HG23 THR A 151 -0.886 -15.730 5.686 1.00 0.00 H new ATOM 2282 N LEU A 152 0.963 -11.826 7.861 1.00 0.00 N ATOM 2283 CA LEU A 152 1.878 -10.757 7.368 1.00 0.00 C ATOM 2284 C LEU A 152 3.106 -11.302 6.550 1.00 0.00 C ATOM 2285 O LEU A 152 3.751 -12.291 6.921 1.00 0.00 O ATOM 2286 CB LEU A 152 2.263 -9.969 8.667 1.00 0.00 C ATOM 2287 CG LEU A 152 3.313 -8.836 8.668 1.00 0.00 C ATOM 2288 CD1 LEU A 152 4.752 -9.354 8.601 1.00 0.00 C ATOM 2289 CD2 LEU A 152 3.075 -7.744 7.617 1.00 0.00 C ATOM 0 H LEU A 152 0.866 -11.816 8.876 1.00 0.00 H new ATOM 0 HA LEU A 152 1.402 -10.110 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 152 1.340 -9.540 9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 152 2.601 -10.709 9.392 1.00 0.00 H new ATOM 0 HG LEU A 152 3.173 -8.358 9.637 1.00 0.00 H new ATOM 0 HD11 LEU A 152 5.443 -8.511 8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 152 4.950 -9.990 9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 152 4.889 -9.931 7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 152 3.860 -6.991 7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 152 3.090 -8.188 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 152 2.106 -7.276 7.791 1.00 0.00 H new ATOM 2301 N GLN A 153 3.416 -10.642 5.433 1.00 0.00 N ATOM 2302 CA GLN A 153 4.622 -10.908 4.596 1.00 0.00 C ATOM 2303 C GLN A 153 5.295 -9.560 4.170 1.00 0.00 C ATOM 2304 O GLN A 153 4.721 -8.785 3.401 1.00 0.00 O ATOM 2305 CB GLN A 153 4.193 -11.699 3.331 1.00 0.00 C ATOM 2306 CG GLN A 153 4.651 -13.166 3.261 1.00 0.00 C ATOM 2307 CD GLN A 153 4.236 -13.878 1.972 1.00 0.00 C ATOM 2308 OE1 GLN A 153 3.530 -13.395 1.093 1.00 0.00 O ATOM 2309 NE2 GLN A 153 4.674 -15.083 1.785 1.00 0.00 N ATOM 0 H GLN A 153 2.834 -9.890 5.064 1.00 0.00 H new ATOM 0 HA GLN A 153 5.341 -11.489 5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 153 3.105 -11.676 3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 153 4.577 -11.178 2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 153 5.736 -13.203 3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 153 4.240 -13.707 4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 153 5.265 -15.526 2.489 1.00 0.00 H new ATOM 0 HE22 GLN A 153 4.428 -15.589 0.934 1.00 0.00 H new ATOM 2318 N GLU A 154 6.529 -9.322 4.624 1.00 0.00 N ATOM 2319 CA GLU A 154 7.365 -8.167 4.181 1.00 0.00 C ATOM 2320 C GLU A 154 8.425 -8.674 3.137 1.00 0.00 C ATOM 2321 O GLU A 154 9.124 -9.648 3.386 1.00 0.00 O ATOM 2322 CB GLU A 154 7.991 -7.421 5.402 1.00 0.00 C ATOM 2323 CG GLU A 154 7.017 -7.096 6.568 1.00 0.00 C ATOM 2324 CD GLU A 154 7.388 -6.047 7.600 1.00 0.00 C ATOM 2325 OE1 GLU A 154 7.087 -4.858 7.361 1.00 0.00 O ATOM 2326 OE2 GLU A 154 7.780 -6.391 8.731 1.00 0.00 O ATOM 0 H GLU A 154 6.991 -9.918 5.311 1.00 0.00 H new ATOM 0 HA GLU A 154 6.745 -7.422 3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 154 8.808 -8.027 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 154 8.428 -6.487 5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 154 6.070 -6.791 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 154 6.832 -8.027 7.104 1.00 0.00 H new ATOM 2333 N TRP A 155 8.539 -8.045 1.956 1.00 0.00 N ATOM 2334 CA TRP A 155 9.393 -8.557 0.829 1.00 0.00 C ATOM 2335 C TRP A 155 10.462 -7.499 0.375 1.00 0.00 C ATOM 2336 O TRP A 155 10.091 -6.492 -0.245 1.00 0.00 O ATOM 2337 CB TRP A 155 8.461 -8.900 -0.373 1.00 0.00 C ATOM 2338 CG TRP A 155 7.602 -10.160 -0.359 1.00 0.00 C ATOM 2339 CD1 TRP A 155 6.298 -10.258 0.178 1.00 0.00 C ATOM 2340 CD2 TRP A 155 7.761 -11.277 -1.155 1.00 0.00 C ATOM 2341 NE1 TRP A 155 5.642 -11.430 -0.253 1.00 0.00 N ATOM 2342 CE2 TRP A 155 6.566 -12.037 -1.084 1.00 0.00 C ATOM 2343 CE3 TRP A 155 8.809 -11.659 -2.035 1.00 0.00 C ATOM 2344 CZ2 TRP A 155 6.399 -13.173 -1.900 1.00 0.00 C ATOM 2345 CZ3 TRP A 155 8.629 -12.793 -2.827 1.00 0.00 C ATOM 2346 CH2 TRP A 155 7.438 -13.536 -2.763 1.00 0.00 C ATOM 0 H TRP A 155 8.054 -7.174 1.739 1.00 0.00 H new ATOM 0 HA TRP A 155 9.932 -9.439 1.174 1.00 0.00 H new ATOM 0 HB2 TRP A 155 7.787 -8.054 -0.507 1.00 0.00 H new ATOM 0 HB3 TRP A 155 9.090 -8.951 -1.262 1.00 0.00 H new ATOM 0 HD1 TRP A 155 5.858 -9.525 0.838 1.00 0.00 H new ATOM 0 HE1 TRP A 155 4.706 -11.754 -0.009 1.00 0.00 H new ATOM 0 HE3 TRP A 155 9.723 -11.085 -2.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 155 5.488 -13.751 -1.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 155 9.416 -13.104 -3.498 1.00 0.00 H new ATOM 0 HH2 TRP A 155 7.323 -14.405 -3.393 1.00 0.00 H new ATOM 2357 N VAL A 156 11.773 -7.697 0.613 1.00 0.00 N ATOM 2358 CA VAL A 156 12.835 -6.697 0.249 1.00 0.00 C ATOM 2359 C VAL A 156 13.456 -6.893 -1.188 1.00 0.00 C ATOM 2360 O VAL A 156 13.908 -7.982 -1.552 1.00 0.00 O ATOM 2361 CB VAL A 156 13.886 -6.570 1.412 1.00 0.00 C ATOM 2362 CG1 VAL A 156 14.789 -7.804 1.636 1.00 0.00 C ATOM 2363 CG2 VAL A 156 14.771 -5.304 1.297 1.00 0.00 C ATOM 0 H VAL A 156 12.138 -8.539 1.057 1.00 0.00 H new ATOM 0 HA VAL A 156 12.348 -5.727 0.152 1.00 0.00 H new ATOM 0 HB VAL A 156 13.246 -6.489 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 156 15.475 -7.608 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 156 14.170 -8.669 1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 156 15.359 -8.007 0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 156 15.475 -5.275 2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 156 15.322 -5.329 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 156 14.140 -4.415 1.324 1.00 0.00 H new ATOM 2373 N ARG A 157 13.523 -5.808 -1.992 1.00 0.00 N ATOM 2374 CA ARG A 157 14.252 -5.795 -3.308 1.00 0.00 C ATOM 2375 C ARG A 157 15.759 -6.257 -3.305 1.00 0.00 C ATOM 2376 O ARG A 157 16.573 -5.810 -2.490 1.00 0.00 O ATOM 2377 CB ARG A 157 14.136 -4.369 -3.917 1.00 0.00 C ATOM 2378 CG ARG A 157 12.931 -4.167 -4.863 1.00 0.00 C ATOM 2379 CD ARG A 157 13.077 -2.915 -5.739 1.00 0.00 C ATOM 2380 NE ARG A 157 14.103 -3.022 -6.810 1.00 0.00 N ATOM 2381 CZ ARG A 157 14.888 -2.014 -7.177 1.00 0.00 C ATOM 2382 NH1 ARG A 157 14.690 -0.769 -6.818 1.00 0.00 N ATOM 2383 NH2 ARG A 157 15.909 -2.283 -7.918 1.00 0.00 N ATOM 0 H ARG A 157 13.082 -4.918 -1.762 1.00 0.00 H new ATOM 0 HA ARG A 157 13.759 -6.559 -3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 157 14.068 -3.646 -3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 157 15.052 -4.147 -4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 157 12.824 -5.043 -5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 157 12.018 -4.089 -4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 157 12.113 -2.695 -6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 157 13.326 -2.068 -5.100 1.00 0.00 H new ATOM 0 HE ARG A 157 14.210 -3.916 -7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 157 13.897 -0.530 -6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 157 15.329 -0.039 -7.133 1.00 0.00 H new ATOM 0 HH21 ARG A 157 16.093 -3.245 -8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 157 16.533 -1.534 -8.218 1.00 0.00 H new ATOM 2397 N SER A 158 16.100 -7.097 -4.295 1.00 0.00 N ATOM 2398 CA SER A 158 17.363 -7.897 -4.381 1.00 0.00 C ATOM 2399 C SER A 158 18.703 -7.418 -3.688 1.00 0.00 C ATOM 2400 O SER A 158 19.379 -6.501 -4.180 1.00 0.00 O ATOM 2401 CB SER A 158 17.532 -8.172 -5.905 1.00 0.00 C ATOM 2402 OG SER A 158 17.920 -7.003 -6.646 1.00 0.00 O ATOM 0 H SER A 158 15.489 -7.254 -5.096 1.00 0.00 H new ATOM 0 HA SER A 158 17.216 -8.769 -3.743 1.00 0.00 H new ATOM 0 HB2 SER A 158 18.281 -8.951 -6.047 1.00 0.00 H new ATOM 0 HB3 SER A 158 16.594 -8.555 -6.306 1.00 0.00 H new ATOM 0 HG SER A 158 18.517 -6.452 -6.098 1.00 0.00 H new