USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 536 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 6 HIS : no HD1:sc= -0.0865 X(o=-0.18,f=-0.033) USER MOD Set 1.2: A 7 HIS : no HD1:sc= -0.0887 X(o=-0.18,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.589 (180deg=0.105) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.653 X(o=-0.65,f=-1.1) USER MOD Single : A 5 HIS : no HD1:sc= -0.0284 X(o=-0.028,f=-0.028) USER MOD Single : A 8 HIS : no HE2:sc= 0.874 K(o=0.87,f=-3.7!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 11 MET CE :methyl 166:sc= -0.0435 (180deg=-0.335) USER MOD Single : A 12 ASN : amide:sc= 0.957 K(o=0.96,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-1.1) USER MOD Single : A 14 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.013) USER MOD Single : A 15 HIS : no HE2:sc= -0.0932 K(o=-0.093,f=-2.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.782 K(o=-0.78,f=-1.7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0895 USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0185) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -170:sc= 0.54 USER MOD Single : A 58 HIS : no HD1:sc= -0.0474 X(o=-0.047,f=-0.06) USER MOD Single : A 59 GLN : amide:sc= -0.0437 X(o=-0.044,f=-0.093) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.399 K(o=0.4,f=-2.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0204 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -38.601 0.584 -13.270 1.00 51.23 N ATOM 2 CA MET A 1 -38.903 0.629 -11.817 1.00 75.03 C ATOM 3 C MET A 1 -38.591 -0.711 -11.138 1.00 41.12 C ATOM 4 O MET A 1 -39.418 -1.623 -11.126 1.00 60.03 O ATOM 5 CB MET A 1 -40.375 1.005 -11.594 1.00 3.40 C ATOM 6 CG MET A 1 -40.729 2.413 -12.048 1.00 23.12 C ATOM 7 SD MET A 1 -40.416 2.670 -13.806 1.00 44.55 S ATOM 8 CE MET A 1 -40.854 4.400 -13.980 1.00 43.03 C ATOM 0 H1 MET A 1 -38.977 1.438 -13.729 1.00 51.23 H new ATOM 0 H2 MET A 1 -37.571 0.541 -13.409 1.00 51.23 H new ATOM 0 H3 MET A 1 -39.043 -0.258 -13.690 1.00 51.23 H new ATOM 0 HA MET A 1 -38.266 1.390 -11.366 1.00 75.03 H new ATOM 0 HB2 MET A 1 -41.006 0.293 -12.126 1.00 3.40 H new ATOM 0 HB3 MET A 1 -40.608 0.907 -10.534 1.00 3.40 H new ATOM 0 HG2 MET A 1 -41.781 2.606 -11.837 1.00 23.12 H new ATOM 0 HG3 MET A 1 -40.151 3.134 -11.470 1.00 23.12 H new ATOM 0 HE1 MET A 1 -40.713 4.709 -15.016 1.00 43.03 H new ATOM 0 HE2 MET A 1 -41.897 4.541 -13.698 1.00 43.03 H new ATOM 0 HE3 MET A 1 -40.218 5.003 -13.332 1.00 43.03 H new ATOM 20 N GLY A 2 -37.387 -0.834 -10.583 1.00 75.20 N ATOM 21 CA GLY A 2 -37.004 -2.057 -9.883 1.00 21.51 C ATOM 22 C GLY A 2 -35.780 -2.756 -10.475 1.00 4.22 C ATOM 23 O GLY A 2 -35.347 -3.792 -9.959 1.00 15.13 O ATOM 0 H GLY A 2 -36.668 -0.111 -10.604 1.00 75.20 H new ATOM 0 HA2 GLY A 2 -36.803 -1.818 -8.839 1.00 21.51 H new ATOM 0 HA3 GLY A 2 -37.846 -2.749 -9.895 1.00 21.51 H new ATOM 27 N HIS A 3 -35.212 -2.214 -11.557 1.00 14.34 N ATOM 28 CA HIS A 3 -33.994 -2.788 -12.147 1.00 30.24 C ATOM 29 C HIS A 3 -32.767 -2.448 -11.287 1.00 45.14 C ATOM 30 O HIS A 3 -32.062 -1.468 -11.538 1.00 10.21 O ATOM 31 CB HIS A 3 -33.796 -2.297 -13.591 1.00 44.20 C ATOM 32 CG HIS A 3 -34.857 -2.771 -14.539 1.00 61.03 C ATOM 33 ND1 HIS A 3 -35.610 -1.919 -15.318 1.00 22.30 N ATOM 34 CD2 HIS A 3 -35.277 -4.021 -14.846 1.00 54.10 C ATOM 35 CE1 HIS A 3 -36.443 -2.619 -16.058 1.00 43.31 C ATOM 36 NE2 HIS A 3 -36.262 -3.895 -15.792 1.00 0.21 N ATOM 0 H HIS A 3 -35.569 -1.389 -12.039 1.00 14.34 H new ATOM 0 HA HIS A 3 -34.109 -3.872 -12.173 1.00 30.24 H new ATOM 0 HB2 HIS A 3 -33.777 -1.207 -13.596 1.00 44.20 H new ATOM 0 HB3 HIS A 3 -32.823 -2.634 -13.950 1.00 44.20 H new ATOM 0 HD2 HIS A 3 -34.906 -4.944 -14.425 1.00 54.10 H new ATOM 0 HE1 HIS A 3 -37.154 -2.215 -16.763 1.00 43.31 H new ATOM 0 HE2 HIS A 3 -36.773 -4.667 -16.221 1.00 0.21 H new ATOM 45 N HIS A 4 -32.530 -3.255 -10.256 1.00 70.02 N ATOM 46 CA HIS A 4 -31.456 -2.984 -9.294 1.00 64.32 C ATOM 47 C HIS A 4 -30.156 -3.726 -9.640 1.00 4.25 C ATOM 48 O HIS A 4 -30.090 -4.956 -9.598 1.00 31.52 O ATOM 49 CB HIS A 4 -31.914 -3.336 -7.871 1.00 73.14 C ATOM 50 CG HIS A 4 -32.345 -4.762 -7.698 1.00 24.44 C ATOM 51 ND1 HIS A 4 -31.483 -5.776 -7.333 1.00 41.25 N ATOM 52 CD2 HIS A 4 -33.559 -5.342 -7.838 1.00 63.31 C ATOM 53 CE1 HIS A 4 -32.148 -6.909 -7.259 1.00 13.21 C ATOM 54 NE2 HIS A 4 -33.406 -6.675 -7.559 1.00 25.44 N ATOM 0 H HIS A 4 -33.064 -4.102 -10.062 1.00 70.02 H new ATOM 0 HA HIS A 4 -31.237 -1.918 -9.348 1.00 64.32 H new ATOM 0 HB2 HIS A 4 -31.099 -3.128 -7.177 1.00 73.14 H new ATOM 0 HB3 HIS A 4 -32.742 -2.682 -7.596 1.00 73.14 H new ATOM 0 HD2 HIS A 4 -34.477 -4.847 -8.117 1.00 63.31 H new ATOM 0 HE1 HIS A 4 -31.730 -7.870 -6.996 1.00 13.21 H new ATOM 0 HE2 HIS A 4 -34.149 -7.373 -7.581 1.00 25.44 H new ATOM 63 N HIS A 5 -29.131 -2.963 -10.003 1.00 23.20 N ATOM 64 CA HIS A 5 -27.783 -3.497 -10.247 1.00 33.14 C ATOM 65 C HIS A 5 -26.726 -2.479 -9.797 1.00 13.11 C ATOM 66 O HIS A 5 -25.763 -2.824 -9.117 1.00 13.52 O ATOM 67 CB HIS A 5 -27.573 -3.835 -11.736 1.00 23.30 C ATOM 68 CG HIS A 5 -28.441 -4.948 -12.245 1.00 41.04 C ATOM 69 ND1 HIS A 5 -28.098 -6.281 -12.146 1.00 32.44 N ATOM 70 CD2 HIS A 5 -29.650 -4.923 -12.855 1.00 24.03 C ATOM 71 CE1 HIS A 5 -29.054 -7.020 -12.671 1.00 20.01 C ATOM 72 NE2 HIS A 5 -30.005 -6.225 -13.106 1.00 21.22 N ATOM 0 H HIS A 5 -29.205 -1.955 -10.138 1.00 23.20 H new ATOM 0 HA HIS A 5 -27.678 -4.416 -9.670 1.00 33.14 H new ATOM 0 HB2 HIS A 5 -27.763 -2.941 -12.330 1.00 23.30 H new ATOM 0 HB3 HIS A 5 -26.528 -4.104 -11.892 1.00 23.30 H new ATOM 0 HD2 HIS A 5 -30.227 -4.043 -13.098 1.00 24.03 H new ATOM 0 HE1 HIS A 5 -29.056 -8.098 -12.733 1.00 20.01 H new ATOM 0 HE2 HIS A 5 -30.868 -6.527 -13.558 1.00 21.22 H new ATOM 81 N HIS A 6 -26.923 -1.223 -10.200 1.00 75.13 N ATOM 82 CA HIS A 6 -26.037 -0.111 -9.827 1.00 44.52 C ATOM 83 C HIS A 6 -24.553 -0.434 -10.111 1.00 23.22 C ATOM 84 O HIS A 6 -23.788 -0.751 -9.198 1.00 65.33 O ATOM 85 CB HIS A 6 -26.243 0.264 -8.349 1.00 10.50 C ATOM 86 CG HIS A 6 -25.637 1.583 -7.969 1.00 24.15 C ATOM 87 ND1 HIS A 6 -24.350 1.714 -7.499 1.00 12.41 N ATOM 88 CD2 HIS A 6 -26.154 2.835 -7.987 1.00 0.22 C ATOM 89 CE1 HIS A 6 -24.102 2.982 -7.243 1.00 61.20 C ATOM 90 NE2 HIS A 6 -25.176 3.682 -7.533 1.00 11.22 N ATOM 0 H HIS A 6 -27.702 -0.944 -10.796 1.00 75.13 H new ATOM 0 HA HIS A 6 -26.302 0.745 -10.447 1.00 44.52 H new ATOM 0 HB2 HIS A 6 -27.312 0.291 -8.136 1.00 10.50 H new ATOM 0 HB3 HIS A 6 -25.813 -0.517 -7.722 1.00 10.50 H new ATOM 0 HD2 HIS A 6 -27.149 3.114 -8.300 1.00 0.22 H new ATOM 0 HE1 HIS A 6 -23.174 3.379 -6.860 1.00 61.20 H new ATOM 0 HE2 HIS A 6 -25.267 4.693 -7.436 1.00 11.22 H new ATOM 99 N HIS A 7 -24.177 -0.392 -11.393 1.00 30.01 N ATOM 100 CA HIS A 7 -22.786 -0.614 -11.844 1.00 32.02 C ATOM 101 C HIS A 7 -22.272 -2.047 -11.575 1.00 34.11 C ATOM 102 O HIS A 7 -21.139 -2.378 -11.938 1.00 35.42 O ATOM 103 CB HIS A 7 -21.834 0.409 -11.205 1.00 22.05 C ATOM 104 CG HIS A 7 -22.246 1.834 -11.422 1.00 13.13 C ATOM 105 ND1 HIS A 7 -22.233 2.446 -12.655 1.00 13.14 N ATOM 106 CD2 HIS A 7 -22.696 2.767 -10.550 1.00 52.10 C ATOM 107 CE1 HIS A 7 -22.651 3.689 -12.534 1.00 51.25 C ATOM 108 NE2 HIS A 7 -22.942 3.911 -11.266 1.00 31.43 N ATOM 0 H HIS A 7 -24.827 -0.203 -12.156 1.00 30.01 H new ATOM 0 HA HIS A 7 -22.800 -0.480 -12.926 1.00 32.02 H new ATOM 0 HB2 HIS A 7 -21.774 0.217 -10.134 1.00 22.05 H new ATOM 0 HB3 HIS A 7 -20.833 0.264 -11.611 1.00 22.05 H new ATOM 0 HD2 HIS A 7 -22.835 2.635 -9.487 1.00 52.10 H new ATOM 0 HE1 HIS A 7 -22.741 4.406 -13.337 1.00 51.25 H new ATOM 0 HE2 HIS A 7 -23.292 4.789 -10.882 1.00 31.43 H new ATOM 117 N HIS A 8 -23.086 -2.896 -10.945 1.00 71.21 N ATOM 118 CA HIS A 8 -22.689 -4.282 -10.666 1.00 33.14 C ATOM 119 C HIS A 8 -23.040 -5.217 -11.833 1.00 33.33 C ATOM 120 O HIS A 8 -24.196 -5.612 -12.001 1.00 34.03 O ATOM 121 CB HIS A 8 -23.349 -4.784 -9.376 1.00 63.21 C ATOM 122 CG HIS A 8 -22.856 -4.090 -8.147 1.00 11.54 C ATOM 123 ND1 HIS A 8 -23.531 -3.057 -7.539 1.00 21.22 N ATOM 124 CD2 HIS A 8 -21.741 -4.292 -7.405 1.00 71.43 C ATOM 125 CE1 HIS A 8 -22.859 -2.652 -6.485 1.00 51.03 C ATOM 126 NE2 HIS A 8 -21.770 -3.383 -6.377 1.00 41.02 N ATOM 0 H HIS A 8 -24.021 -2.652 -10.618 1.00 71.21 H new ATOM 0 HA HIS A 8 -21.606 -4.291 -10.540 1.00 33.14 H new ATOM 0 HB2 HIS A 8 -24.428 -4.649 -9.452 1.00 63.21 H new ATOM 0 HB3 HIS A 8 -23.168 -5.854 -9.277 1.00 63.21 H new ATOM 0 HD1 HIS A 8 -24.417 -2.665 -7.858 1.00 21.22 H new ATOM 0 HD2 HIS A 8 -20.974 -5.030 -7.588 1.00 71.43 H new ATOM 0 HE1 HIS A 8 -23.151 -1.853 -5.819 1.00 51.03 H new ATOM 135 N SER A 9 -22.038 -5.552 -12.646 1.00 14.21 N ATOM 136 CA SER A 9 -22.216 -6.494 -13.759 1.00 25.15 C ATOM 137 C SER A 9 -21.906 -7.934 -13.320 1.00 13.43 C ATOM 138 O SER A 9 -21.587 -8.184 -12.158 1.00 32.23 O ATOM 139 CB SER A 9 -21.324 -6.101 -14.946 1.00 54.25 C ATOM 140 OG SER A 9 -21.695 -4.836 -15.471 1.00 72.14 O ATOM 0 H SER A 9 -21.090 -5.185 -12.557 1.00 14.21 H new ATOM 0 HA SER A 9 -23.259 -6.448 -14.071 1.00 25.15 H new ATOM 0 HB2 SER A 9 -20.282 -6.074 -14.628 1.00 54.25 H new ATOM 0 HB3 SER A 9 -21.399 -6.858 -15.727 1.00 54.25 H new ATOM 0 HG SER A 9 -21.110 -4.610 -16.224 1.00 72.14 H new ATOM 146 N HIS A 10 -21.987 -8.873 -14.257 1.00 4.23 N ATOM 147 CA HIS A 10 -21.830 -10.299 -13.940 1.00 34.34 C ATOM 148 C HIS A 10 -20.351 -10.692 -13.743 1.00 14.24 C ATOM 149 O HIS A 10 -19.949 -11.089 -12.648 1.00 61.02 O ATOM 150 CB HIS A 10 -22.460 -11.151 -15.048 1.00 61.41 C ATOM 151 CG HIS A 10 -23.882 -10.778 -15.359 1.00 32.34 C ATOM 152 ND1 HIS A 10 -24.264 -10.158 -16.531 1.00 23.43 N ATOM 153 CD2 HIS A 10 -25.019 -10.944 -14.642 1.00 71.53 C ATOM 154 CE1 HIS A 10 -25.568 -9.961 -16.523 1.00 33.05 C ATOM 155 NE2 HIS A 10 -26.050 -10.429 -15.390 1.00 64.24 N ATOM 0 H HIS A 10 -22.160 -8.678 -15.243 1.00 4.23 H new ATOM 0 HA HIS A 10 -22.343 -10.485 -12.996 1.00 34.34 H new ATOM 0 HB2 HIS A 10 -21.861 -11.054 -15.954 1.00 61.41 H new ATOM 0 HB3 HIS A 10 -22.425 -12.200 -14.753 1.00 61.41 H new ATOM 0 HD2 HIS A 10 -25.100 -11.397 -13.665 1.00 71.53 H new ATOM 0 HE1 HIS A 10 -26.142 -9.496 -17.310 1.00 33.05 H new ATOM 0 HE2 HIS A 10 -27.031 -10.412 -15.112 1.00 64.24 H new ATOM 164 N MET A 11 -19.546 -10.586 -14.802 1.00 20.53 N ATOM 165 CA MET A 11 -18.131 -10.985 -14.741 1.00 34.24 C ATOM 166 C MET A 11 -17.285 -10.025 -13.883 1.00 53.44 C ATOM 167 O MET A 11 -17.049 -8.871 -14.257 1.00 73.44 O ATOM 168 CB MET A 11 -17.539 -11.082 -16.157 1.00 61.44 C ATOM 169 CG MET A 11 -16.051 -11.428 -16.181 1.00 53.41 C ATOM 170 SD MET A 11 -15.671 -12.960 -15.304 1.00 11.34 S ATOM 171 CE MET A 11 -16.621 -14.146 -16.253 1.00 12.03 C ATOM 0 H MET A 11 -19.844 -10.229 -15.710 1.00 20.53 H new ATOM 0 HA MET A 11 -18.099 -11.964 -14.263 1.00 34.24 H new ATOM 0 HB2 MET A 11 -18.087 -11.838 -16.719 1.00 61.44 H new ATOM 0 HB3 MET A 11 -17.690 -10.132 -16.670 1.00 61.44 H new ATOM 0 HG2 MET A 11 -15.720 -11.516 -17.216 1.00 53.41 H new ATOM 0 HG3 MET A 11 -15.486 -10.610 -15.734 1.00 53.41 H new ATOM 0 HE1 MET A 11 -16.301 -15.156 -15.998 1.00 12.03 H new ATOM 0 HE2 MET A 11 -17.680 -14.032 -16.022 1.00 12.03 H new ATOM 0 HE3 MET A 11 -16.461 -13.973 -17.317 1.00 12.03 H new ATOM 181 N ASN A 12 -16.840 -10.518 -12.728 1.00 31.15 N ATOM 182 CA ASN A 12 -15.935 -9.778 -11.840 1.00 4.22 C ATOM 183 C ASN A 12 -14.777 -10.681 -11.383 1.00 13.03 C ATOM 184 O ASN A 12 -15.001 -11.796 -10.907 1.00 35.30 O ATOM 185 CB ASN A 12 -16.696 -9.253 -10.616 1.00 62.30 C ATOM 186 CG ASN A 12 -17.794 -8.277 -10.987 1.00 11.44 C ATOM 187 OD1 ASN A 12 -17.585 -7.067 -11.039 1.00 41.22 O ATOM 188 ND2 ASN A 12 -18.971 -8.794 -11.267 1.00 1.10 N ATOM 0 H ASN A 12 -17.095 -11.442 -12.379 1.00 31.15 H new ATOM 0 HA ASN A 12 -15.529 -8.932 -12.394 1.00 4.22 H new ATOM 0 HB2 ASN A 12 -17.130 -10.094 -10.075 1.00 62.30 H new ATOM 0 HB3 ASN A 12 -15.995 -8.765 -9.939 1.00 62.30 H new ATOM 0 HD21 ASN A 12 -19.744 -8.186 -11.537 1.00 1.10 H new ATOM 0 HD22 ASN A 12 -19.110 -9.803 -11.214 1.00 1.10 H new ATOM 195 N HIS A 13 -13.539 -10.203 -11.530 1.00 51.44 N ATOM 196 CA HIS A 13 -12.358 -10.990 -11.148 1.00 73.41 C ATOM 197 C HIS A 13 -12.280 -11.179 -9.625 1.00 62.25 C ATOM 198 O HIS A 13 -12.097 -12.293 -9.135 1.00 41.55 O ATOM 199 CB HIS A 13 -11.072 -10.323 -11.664 1.00 13.42 C ATOM 200 CG HIS A 13 -9.826 -11.089 -11.324 1.00 72.52 C ATOM 201 ND1 HIS A 13 -8.858 -10.618 -10.462 1.00 60.32 N ATOM 202 CD2 HIS A 13 -9.394 -12.309 -11.730 1.00 43.34 C ATOM 203 CE1 HIS A 13 -7.895 -11.511 -10.351 1.00 13.54 C ATOM 204 NE2 HIS A 13 -8.194 -12.545 -11.107 1.00 4.42 N ATOM 0 H HIS A 13 -13.326 -9.280 -11.908 1.00 51.44 H new ATOM 0 HA HIS A 13 -12.455 -11.973 -11.608 1.00 73.41 H new ATOM 0 HB2 HIS A 13 -11.138 -10.212 -12.746 1.00 13.42 H new ATOM 0 HB3 HIS A 13 -10.999 -9.319 -11.245 1.00 13.42 H new ATOM 0 HD2 HIS A 13 -9.900 -12.972 -12.416 1.00 43.34 H new ATOM 0 HE1 HIS A 13 -7.009 -11.411 -9.742 1.00 13.54 H new ATOM 0 HE2 HIS A 13 -7.626 -13.386 -11.213 1.00 4.42 H new ATOM 213 N GLN A 14 -12.411 -10.082 -8.885 1.00 24.22 N ATOM 214 CA GLN A 14 -12.391 -10.126 -7.416 1.00 62.01 C ATOM 215 C GLN A 14 -13.765 -9.757 -6.833 1.00 42.34 C ATOM 216 O GLN A 14 -14.140 -8.583 -6.808 1.00 4.15 O ATOM 217 CB GLN A 14 -11.323 -9.166 -6.858 1.00 23.31 C ATOM 218 CG GLN A 14 -9.889 -9.498 -7.270 1.00 4.04 C ATOM 219 CD GLN A 14 -9.425 -10.857 -6.773 1.00 13.51 C ATOM 220 OE1 GLN A 14 -9.544 -11.861 -7.467 1.00 23.34 O ATOM 221 NE2 GLN A 14 -8.903 -10.902 -5.563 1.00 41.31 N ATOM 0 H GLN A 14 -12.533 -9.147 -9.274 1.00 24.22 H new ATOM 0 HA GLN A 14 -12.146 -11.146 -7.121 1.00 62.01 H new ATOM 0 HB2 GLN A 14 -11.556 -8.153 -7.187 1.00 23.31 H new ATOM 0 HB3 GLN A 14 -11.384 -9.169 -5.770 1.00 23.31 H new ATOM 0 HG2 GLN A 14 -9.814 -9.470 -8.357 1.00 4.04 H new ATOM 0 HG3 GLN A 14 -9.219 -8.729 -6.885 1.00 4.04 H new ATOM 0 HE21 GLN A 14 -8.818 -10.048 -5.012 1.00 41.31 H new ATOM 0 HE22 GLN A 14 -8.584 -11.791 -5.178 1.00 41.31 H new ATOM 230 N HIS A 15 -14.524 -10.759 -6.385 1.00 25.21 N ATOM 231 CA HIS A 15 -15.822 -10.503 -5.750 1.00 32.13 C ATOM 232 C HIS A 15 -15.619 -10.085 -4.280 1.00 43.15 C ATOM 233 O HIS A 15 -16.340 -9.236 -3.755 1.00 4.43 O ATOM 234 CB HIS A 15 -16.728 -11.738 -5.857 1.00 61.31 C ATOM 235 CG HIS A 15 -18.165 -11.464 -5.517 1.00 33.34 C ATOM 236 ND1 HIS A 15 -18.802 -12.028 -4.437 1.00 71.10 N ATOM 237 CD2 HIS A 15 -19.092 -10.685 -6.127 1.00 14.40 C ATOM 238 CE1 HIS A 15 -20.049 -11.613 -4.394 1.00 61.12 C ATOM 239 NE2 HIS A 15 -20.251 -10.798 -5.405 1.00 22.23 N ATOM 0 H HIS A 15 -14.268 -11.744 -6.448 1.00 25.21 H new ATOM 0 HA HIS A 15 -16.315 -9.683 -6.272 1.00 32.13 H new ATOM 0 HB2 HIS A 15 -16.673 -12.131 -6.872 1.00 61.31 H new ATOM 0 HB3 HIS A 15 -16.348 -12.515 -5.193 1.00 61.31 H new ATOM 0 HD1 HIS A 15 -18.373 -12.670 -3.771 1.00 71.10 H new ATOM 0 HD2 HIS A 15 -18.945 -10.088 -7.015 1.00 14.40 H new ATOM 0 HE1 HIS A 15 -20.783 -11.894 -3.653 1.00 61.12 H new ATOM 248 N GLU A 16 -14.630 -10.701 -3.630 1.00 32.54 N ATOM 249 CA GLU A 16 -14.144 -10.254 -2.318 1.00 71.42 C ATOM 250 C GLU A 16 -12.724 -9.683 -2.457 1.00 32.44 C ATOM 251 O GLU A 16 -11.919 -10.189 -3.244 1.00 63.33 O ATOM 252 CB GLU A 16 -14.138 -11.405 -1.293 1.00 14.25 C ATOM 253 CG GLU A 16 -15.516 -11.802 -0.763 1.00 74.54 C ATOM 254 CD GLU A 16 -16.405 -12.460 -1.806 1.00 21.03 C ATOM 255 OE1 GLU A 16 -16.059 -13.566 -2.277 1.00 3.32 O ATOM 256 OE2 GLU A 16 -17.467 -11.894 -2.139 1.00 65.51 O ATOM 0 H GLU A 16 -14.144 -11.520 -3.994 1.00 32.54 H new ATOM 0 HA GLU A 16 -14.823 -9.482 -1.956 1.00 71.42 H new ATOM 0 HB2 GLU A 16 -13.676 -12.279 -1.752 1.00 14.25 H new ATOM 0 HB3 GLU A 16 -13.509 -11.118 -0.450 1.00 14.25 H new ATOM 0 HG2 GLU A 16 -15.390 -12.485 0.077 1.00 74.54 H new ATOM 0 HG3 GLU A 16 -16.018 -10.914 -0.379 1.00 74.54 H new ATOM 263 N ALA A 17 -12.417 -8.637 -1.697 1.00 1.24 N ATOM 264 CA ALA A 17 -11.106 -7.983 -1.780 1.00 12.05 C ATOM 265 C ALA A 17 -10.250 -8.266 -0.535 1.00 72.23 C ATOM 266 O ALA A 17 -10.661 -7.982 0.591 1.00 73.23 O ATOM 267 CB ALA A 17 -11.291 -6.482 -1.980 1.00 54.12 C ATOM 0 H ALA A 17 -13.053 -8.221 -1.017 1.00 1.24 H new ATOM 0 HA ALA A 17 -10.573 -8.395 -2.637 1.00 12.05 H new ATOM 0 HB1 ALA A 17 -10.315 -6.000 -2.041 1.00 54.12 H new ATOM 0 HB2 ALA A 17 -11.842 -6.303 -2.903 1.00 54.12 H new ATOM 0 HB3 ALA A 17 -11.848 -6.069 -1.139 1.00 54.12 H new ATOM 273 N ARG A 18 -9.060 -8.829 -0.742 1.00 53.51 N ATOM 274 CA ARG A 18 -8.154 -9.167 0.365 1.00 32.20 C ATOM 275 C ARG A 18 -7.411 -7.920 0.883 1.00 24.32 C ATOM 276 O ARG A 18 -6.965 -7.077 0.103 1.00 61.33 O ATOM 277 CB ARG A 18 -7.163 -10.263 -0.074 1.00 54.35 C ATOM 278 CG ARG A 18 -6.265 -9.884 -1.256 1.00 12.30 C ATOM 279 CD ARG A 18 -5.539 -11.103 -1.829 1.00 45.32 C ATOM 280 NE ARG A 18 -4.676 -10.768 -2.967 1.00 1.44 N ATOM 281 CZ ARG A 18 -4.735 -11.356 -4.133 1.00 42.05 C ATOM 282 NH1 ARG A 18 -5.657 -12.227 -4.391 1.00 54.35 N ATOM 283 NH2 ARG A 18 -3.874 -11.061 -5.047 1.00 20.23 N ATOM 0 H ARG A 18 -8.697 -9.063 -1.666 1.00 53.51 H new ATOM 0 HA ARG A 18 -8.752 -9.553 1.190 1.00 32.20 H new ATOM 0 HB2 ARG A 18 -6.531 -10.522 0.775 1.00 54.35 H new ATOM 0 HB3 ARG A 18 -7.727 -11.158 -0.337 1.00 54.35 H new ATOM 0 HG2 ARG A 18 -6.868 -9.419 -2.036 1.00 12.30 H new ATOM 0 HG3 ARG A 18 -5.533 -9.143 -0.934 1.00 12.30 H new ATOM 0 HD2 ARG A 18 -4.937 -11.563 -1.045 1.00 45.32 H new ATOM 0 HD3 ARG A 18 -6.274 -11.844 -2.142 1.00 45.32 H new ATOM 0 HE ARG A 18 -3.985 -10.028 -2.840 1.00 1.44 H new ATOM 0 HH11 ARG A 18 -6.350 -12.462 -3.680 1.00 54.35 H new ATOM 0 HH12 ARG A 18 -5.691 -12.678 -5.305 1.00 54.35 H new ATOM 0 HH21 ARG A 18 -3.148 -10.370 -4.860 1.00 20.23 H new ATOM 0 HH22 ARG A 18 -3.919 -11.519 -5.957 1.00 20.23 H new ATOM 297 N LYS A 19 -7.292 -7.800 2.207 1.00 33.15 N ATOM 298 CA LYS A 19 -6.692 -6.611 2.832 1.00 74.10 C ATOM 299 C LYS A 19 -5.450 -6.954 3.668 1.00 24.30 C ATOM 300 O LYS A 19 -5.344 -8.040 4.239 1.00 60.01 O ATOM 301 CB LYS A 19 -7.722 -5.911 3.729 1.00 22.24 C ATOM 302 CG LYS A 19 -8.986 -5.463 3.001 1.00 74.22 C ATOM 303 CD LYS A 19 -9.971 -4.805 3.962 1.00 72.13 C ATOM 304 CE LYS A 19 -11.241 -4.344 3.255 1.00 5.15 C ATOM 305 NZ LYS A 19 -12.207 -3.733 4.202 1.00 31.44 N ATOM 0 H LYS A 19 -7.602 -8.510 2.870 1.00 33.15 H new ATOM 0 HA LYS A 19 -6.381 -5.950 2.023 1.00 74.10 H new ATOM 0 HB2 LYS A 19 -8.002 -6.587 4.537 1.00 22.24 H new ATOM 0 HB3 LYS A 19 -7.254 -5.041 4.189 1.00 22.24 H new ATOM 0 HG2 LYS A 19 -8.724 -4.762 2.208 1.00 74.22 H new ATOM 0 HG3 LYS A 19 -9.458 -6.322 2.524 1.00 74.22 H new ATOM 0 HD2 LYS A 19 -10.232 -5.509 4.752 1.00 72.13 H new ATOM 0 HD3 LYS A 19 -9.493 -3.951 4.442 1.00 72.13 H new ATOM 0 HE2 LYS A 19 -10.984 -3.621 2.481 1.00 5.15 H new ATOM 0 HE3 LYS A 19 -11.708 -5.193 2.756 1.00 5.15 H new ATOM 0 HZ1 LYS A 19 -13.057 -3.432 3.684 1.00 31.44 H new ATOM 0 HZ2 LYS A 19 -12.471 -4.431 4.927 1.00 31.44 H new ATOM 0 HZ3 LYS A 19 -11.770 -2.908 4.659 1.00 31.44 H new ATOM 319 N VAL A 20 -4.523 -5.999 3.739 1.00 50.21 N ATOM 320 CA VAL A 20 -3.307 -6.125 4.551 1.00 74.45 C ATOM 321 C VAL A 20 -3.051 -4.832 5.346 1.00 51.01 C ATOM 322 O VAL A 20 -3.270 -3.729 4.842 1.00 55.24 O ATOM 323 CB VAL A 20 -2.068 -6.445 3.669 1.00 14.44 C ATOM 324 CG1 VAL A 20 -2.158 -7.860 3.100 1.00 73.01 C ATOM 325 CG2 VAL A 20 -1.930 -5.418 2.546 1.00 75.22 C ATOM 0 H VAL A 20 -4.592 -5.114 3.236 1.00 50.21 H new ATOM 0 HA VAL A 20 -3.462 -6.951 5.245 1.00 74.45 H new ATOM 0 HB VAL A 20 -1.178 -6.389 4.296 1.00 14.44 H new ATOM 0 HG11 VAL A 20 -1.280 -8.062 2.486 1.00 73.01 H new ATOM 0 HG12 VAL A 20 -2.202 -8.579 3.918 1.00 73.01 H new ATOM 0 HG13 VAL A 20 -3.056 -7.950 2.489 1.00 73.01 H new ATOM 0 HG21 VAL A 20 -1.057 -5.658 1.939 1.00 75.22 H new ATOM 0 HG22 VAL A 20 -2.823 -5.439 1.922 1.00 75.22 H new ATOM 0 HG23 VAL A 20 -1.811 -4.423 2.975 1.00 75.22 H new ATOM 335 N ARG A 21 -2.593 -4.965 6.589 1.00 21.04 N ATOM 336 CA ARG A 21 -2.382 -3.801 7.458 1.00 34.43 C ATOM 337 C ARG A 21 -0.943 -3.265 7.348 1.00 22.12 C ATOM 338 O ARG A 21 0.017 -4.036 7.317 1.00 64.32 O ATOM 339 CB ARG A 21 -2.701 -4.165 8.915 1.00 2.54 C ATOM 340 CG ARG A 21 -2.657 -2.975 9.872 1.00 65.02 C ATOM 341 CD ARG A 21 -3.040 -3.373 11.295 1.00 51.20 C ATOM 342 NE ARG A 21 -3.079 -2.224 12.205 1.00 74.23 N ATOM 343 CZ ARG A 21 -2.706 -2.267 13.458 1.00 20.33 C ATOM 344 NH1 ARG A 21 -2.288 -3.375 13.984 1.00 75.03 N ATOM 345 NH2 ARG A 21 -2.778 -1.204 14.192 1.00 51.30 N ATOM 0 H ARG A 21 -2.361 -5.860 7.019 1.00 21.04 H new ATOM 0 HA ARG A 21 -3.057 -3.012 7.127 1.00 34.43 H new ATOM 0 HB2 ARG A 21 -3.692 -4.617 8.958 1.00 2.54 H new ATOM 0 HB3 ARG A 21 -1.991 -4.919 9.255 1.00 2.54 H new ATOM 0 HG2 ARG A 21 -1.655 -2.547 9.872 1.00 65.02 H new ATOM 0 HG3 ARG A 21 -3.335 -2.199 9.517 1.00 65.02 H new ATOM 0 HD2 ARG A 21 -4.016 -3.857 11.284 1.00 51.20 H new ATOM 0 HD3 ARG A 21 -2.325 -4.106 11.669 1.00 51.20 H new ATOM 0 HE ARG A 21 -3.418 -1.335 11.838 1.00 74.23 H new ATOM 0 HH11 ARG A 21 -2.248 -4.224 13.420 1.00 75.03 H new ATOM 0 HH12 ARG A 21 -1.999 -3.398 14.962 1.00 75.03 H new ATOM 0 HH21 ARG A 21 -3.126 -0.332 13.794 1.00 51.30 H new ATOM 0 HH22 ARG A 21 -2.487 -1.238 15.169 1.00 51.30 H new ATOM 359 N ALA A 22 -0.808 -1.941 7.281 1.00 64.02 N ATOM 360 CA ALA A 22 0.508 -1.296 7.211 1.00 40.12 C ATOM 361 C ALA A 22 1.158 -1.187 8.595 1.00 2.43 C ATOM 362 O ALA A 22 0.597 -0.585 9.506 1.00 51.20 O ATOM 363 CB ALA A 22 0.380 0.088 6.585 1.00 23.25 C ATOM 0 H ALA A 22 -1.594 -1.291 7.274 1.00 64.02 H new ATOM 0 HA ALA A 22 1.150 -1.918 6.588 1.00 40.12 H new ATOM 0 HB1 ALA A 22 1.362 0.558 6.538 1.00 23.25 H new ATOM 0 HB2 ALA A 22 -0.027 -0.004 5.578 1.00 23.25 H new ATOM 0 HB3 ALA A 22 -0.287 0.701 7.191 1.00 23.25 H new ATOM 369 N ILE A 23 2.348 -1.766 8.745 1.00 21.32 N ATOM 370 CA ILE A 23 3.080 -1.705 10.020 1.00 12.41 C ATOM 371 C ILE A 23 4.041 -0.507 10.068 1.00 71.34 C ATOM 372 O ILE A 23 4.613 -0.205 11.115 1.00 3.42 O ATOM 373 CB ILE A 23 3.870 -3.014 10.290 1.00 63.11 C ATOM 374 CG1 ILE A 23 4.856 -3.309 9.145 1.00 24.35 C ATOM 375 CG2 ILE A 23 2.906 -4.184 10.490 1.00 62.04 C ATOM 376 CD1 ILE A 23 5.686 -4.562 9.350 1.00 51.21 C ATOM 0 H ILE A 23 2.828 -2.281 8.007 1.00 21.32 H new ATOM 0 HA ILE A 23 2.329 -1.581 10.800 1.00 12.41 H new ATOM 0 HB ILE A 23 4.449 -2.882 11.204 1.00 63.11 H new ATOM 0 HG12 ILE A 23 4.297 -3.405 8.214 1.00 24.35 H new ATOM 0 HG13 ILE A 23 5.526 -2.457 9.028 1.00 24.35 H new ATOM 0 HG21 ILE A 23 3.474 -5.095 10.678 1.00 62.04 H new ATOM 0 HG22 ILE A 23 2.256 -3.979 11.341 1.00 62.04 H new ATOM 0 HG23 ILE A 23 2.300 -4.313 9.593 1.00 62.04 H new ATOM 0 HD11 ILE A 23 6.355 -4.699 8.500 1.00 51.21 H new ATOM 0 HD12 ILE A 23 6.274 -4.463 10.262 1.00 51.21 H new ATOM 0 HD13 ILE A 23 5.026 -5.426 9.435 1.00 51.21 H new ATOM 388 N TYR A 24 4.220 0.172 8.932 1.00 43.21 N ATOM 389 CA TYR A 24 5.077 1.367 8.861 1.00 45.42 C ATOM 390 C TYR A 24 4.369 2.511 8.115 1.00 44.32 C ATOM 391 O TYR A 24 3.327 2.307 7.492 1.00 42.21 O ATOM 392 CB TYR A 24 6.417 1.044 8.181 1.00 62.31 C ATOM 393 CG TYR A 24 7.247 0.010 8.920 1.00 32.55 C ATOM 394 CD1 TYR A 24 7.578 0.186 10.260 1.00 24.32 C ATOM 395 CD2 TYR A 24 7.687 -1.146 8.283 1.00 53.32 C ATOM 396 CE1 TYR A 24 8.326 -0.757 10.939 1.00 44.32 C ATOM 397 CE2 TYR A 24 8.433 -2.093 8.958 1.00 3.00 C ATOM 398 CZ TYR A 24 8.748 -1.894 10.284 1.00 54.32 C ATOM 399 OH TYR A 24 9.484 -2.840 10.964 1.00 62.42 O ATOM 0 H TYR A 24 3.784 -0.083 8.046 1.00 43.21 H new ATOM 0 HA TYR A 24 5.275 1.690 9.883 1.00 45.42 H new ATOM 0 HB2 TYR A 24 6.223 0.685 7.170 1.00 62.31 H new ATOM 0 HB3 TYR A 24 6.997 1.962 8.088 1.00 62.31 H new ATOM 0 HD1 TYR A 24 7.245 1.074 10.778 1.00 24.32 H new ATOM 0 HD2 TYR A 24 7.441 -1.306 7.244 1.00 53.32 H new ATOM 0 HE1 TYR A 24 8.579 -0.604 11.978 1.00 44.32 H new ATOM 0 HE2 TYR A 24 8.767 -2.985 8.449 1.00 3.00 H new ATOM 0 HH TYR A 24 9.702 -3.581 10.361 1.00 62.42 H new ATOM 409 N ASP A 25 4.949 3.707 8.184 1.00 34.53 N ATOM 410 CA ASP A 25 4.353 4.912 7.593 1.00 74.02 C ATOM 411 C ASP A 25 5.076 5.317 6.294 1.00 70.02 C ATOM 412 O ASP A 25 6.305 5.412 6.262 1.00 63.41 O ATOM 413 CB ASP A 25 4.424 6.056 8.618 1.00 4.13 C ATOM 414 CG ASP A 25 3.726 7.323 8.154 1.00 33.11 C ATOM 415 OD1 ASP A 25 4.365 8.143 7.457 1.00 4.50 O ATOM 416 OD2 ASP A 25 2.542 7.519 8.505 1.00 31.30 O ATOM 0 H ASP A 25 5.842 3.872 8.648 1.00 34.53 H new ATOM 0 HA ASP A 25 3.314 4.702 7.338 1.00 74.02 H new ATOM 0 HB2 ASP A 25 3.975 5.724 9.554 1.00 4.13 H new ATOM 0 HB3 ASP A 25 5.469 6.282 8.828 1.00 4.13 H new ATOM 421 N PHE A 26 4.311 5.558 5.226 1.00 71.55 N ATOM 422 CA PHE A 26 4.883 5.992 3.944 1.00 71.43 C ATOM 423 C PHE A 26 3.883 6.817 3.121 1.00 1.13 C ATOM 424 O PHE A 26 2.731 6.424 2.931 1.00 4.33 O ATOM 425 CB PHE A 26 5.364 4.782 3.130 1.00 41.13 C ATOM 426 CG PHE A 26 5.877 5.131 1.749 1.00 51.12 C ATOM 427 CD1 PHE A 26 7.194 5.523 1.559 1.00 74.32 C ATOM 428 CD2 PHE A 26 5.040 5.062 0.642 1.00 73.32 C ATOM 429 CE1 PHE A 26 7.663 5.838 0.297 1.00 31.21 C ATOM 430 CE2 PHE A 26 5.505 5.375 -0.619 1.00 72.44 C ATOM 431 CZ PHE A 26 6.817 5.764 -0.792 1.00 23.52 C ATOM 0 H PHE A 26 3.296 5.461 5.221 1.00 71.55 H new ATOM 0 HA PHE A 26 5.736 6.632 4.171 1.00 71.43 H new ATOM 0 HB2 PHE A 26 6.156 4.277 3.683 1.00 41.13 H new ATOM 0 HB3 PHE A 26 4.542 4.073 3.032 1.00 41.13 H new ATOM 0 HD1 PHE A 26 7.861 5.583 2.407 1.00 74.32 H new ATOM 0 HD2 PHE A 26 4.011 4.759 0.770 1.00 73.32 H new ATOM 0 HE1 PHE A 26 8.691 6.142 0.163 1.00 31.21 H new ATOM 0 HE2 PHE A 26 4.842 5.315 -1.470 1.00 72.44 H new ATOM 0 HZ PHE A 26 7.182 6.010 -1.778 1.00 23.52 H new ATOM 441 N GLU A 27 4.339 7.965 2.625 1.00 54.31 N ATOM 442 CA GLU A 27 3.528 8.813 1.749 1.00 32.34 C ATOM 443 C GLU A 27 4.045 8.736 0.306 1.00 34.42 C ATOM 444 O GLU A 27 5.255 8.651 0.076 1.00 12.12 O ATOM 445 CB GLU A 27 3.547 10.259 2.257 1.00 11.45 C ATOM 446 CG GLU A 27 3.069 10.397 3.698 1.00 14.33 C ATOM 447 CD GLU A 27 3.086 11.833 4.191 1.00 74.20 C ATOM 448 OE1 GLU A 27 4.146 12.293 4.657 1.00 51.54 O ATOM 449 OE2 GLU A 27 2.038 12.505 4.120 1.00 31.34 O ATOM 0 H GLU A 27 5.271 8.333 2.815 1.00 54.31 H new ATOM 0 HA GLU A 27 2.499 8.455 1.761 1.00 32.34 H new ATOM 0 HB2 GLU A 27 4.561 10.651 2.178 1.00 11.45 H new ATOM 0 HB3 GLU A 27 2.917 10.872 1.612 1.00 11.45 H new ATOM 0 HG2 GLU A 27 2.056 10.002 3.779 1.00 14.33 H new ATOM 0 HG3 GLU A 27 3.701 9.788 4.345 1.00 14.33 H new ATOM 456 N ALA A 28 3.129 8.760 -0.657 1.00 12.14 N ATOM 457 CA ALA A 28 3.481 8.572 -2.066 1.00 63.52 C ATOM 458 C ALA A 28 4.425 9.669 -2.588 1.00 71.32 C ATOM 459 O ALA A 28 4.045 10.835 -2.688 1.00 23.31 O ATOM 460 CB ALA A 28 2.222 8.513 -2.923 1.00 4.51 C ATOM 0 H ALA A 28 2.134 8.908 -0.490 1.00 12.14 H new ATOM 0 HA ALA A 28 4.015 7.625 -2.137 1.00 63.52 H new ATOM 0 HB1 ALA A 28 2.499 8.373 -3.968 1.00 4.51 H new ATOM 0 HB2 ALA A 28 1.599 7.679 -2.598 1.00 4.51 H new ATOM 0 HB3 ALA A 28 1.666 9.444 -2.817 1.00 4.51 H new ATOM 466 N ALA A 29 5.660 9.286 -2.909 1.00 11.45 N ATOM 467 CA ALA A 29 6.616 10.209 -3.526 1.00 21.31 C ATOM 468 C ALA A 29 6.177 10.576 -4.954 1.00 22.34 C ATOM 469 O ALA A 29 6.056 11.751 -5.297 1.00 52.10 O ATOM 470 CB ALA A 29 8.014 9.596 -3.532 1.00 31.50 C ATOM 0 H ALA A 29 6.023 8.346 -2.753 1.00 11.45 H new ATOM 0 HA ALA A 29 6.641 11.125 -2.936 1.00 21.31 H new ATOM 0 HB1 ALA A 29 8.715 10.292 -3.993 1.00 31.50 H new ATOM 0 HB2 ALA A 29 8.326 9.392 -2.508 1.00 31.50 H new ATOM 0 HB3 ALA A 29 8.001 8.665 -4.099 1.00 31.50 H new ATOM 476 N GLU A 30 5.929 9.556 -5.776 1.00 51.33 N ATOM 477 CA GLU A 30 5.446 9.756 -7.149 1.00 22.25 C ATOM 478 C GLU A 30 3.961 9.377 -7.272 1.00 43.42 C ATOM 479 O GLU A 30 3.395 8.752 -6.372 1.00 31.35 O ATOM 480 CB GLU A 30 6.269 8.904 -8.128 1.00 22.43 C ATOM 481 CG GLU A 30 7.763 9.222 -8.134 1.00 44.43 C ATOM 482 CD GLU A 30 8.068 10.648 -8.564 1.00 3.20 C ATOM 483 OE1 GLU A 30 8.029 10.932 -9.781 1.00 33.51 O ATOM 484 OE2 GLU A 30 8.353 11.491 -7.693 1.00 73.45 O ATOM 0 H GLU A 30 6.054 8.578 -5.516 1.00 51.33 H new ATOM 0 HA GLU A 30 5.560 10.812 -7.394 1.00 22.25 H new ATOM 0 HB2 GLU A 30 6.134 7.852 -7.878 1.00 22.43 H new ATOM 0 HB3 GLU A 30 5.875 9.045 -9.134 1.00 22.43 H new ATOM 0 HG2 GLU A 30 8.168 9.056 -7.136 1.00 44.43 H new ATOM 0 HG3 GLU A 30 8.273 8.530 -8.804 1.00 44.43 H new ATOM 491 N ASP A 31 3.338 9.746 -8.391 1.00 41.30 N ATOM 492 CA ASP A 31 1.948 9.361 -8.676 1.00 35.21 C ATOM 493 C ASP A 31 1.793 7.830 -8.776 1.00 24.11 C ATOM 494 O ASP A 31 0.690 7.293 -8.648 1.00 54.32 O ATOM 495 CB ASP A 31 1.483 10.027 -9.975 1.00 72.44 C ATOM 496 CG ASP A 31 1.390 11.538 -9.848 1.00 20.44 C ATOM 497 OD1 ASP A 31 2.439 12.194 -9.704 1.00 11.34 O ATOM 498 OD2 ASP A 31 0.260 12.073 -9.873 1.00 22.35 O ATOM 0 H ASP A 31 3.772 10.313 -9.120 1.00 41.30 H new ATOM 0 HA ASP A 31 1.325 9.702 -7.849 1.00 35.21 H new ATOM 0 HB2 ASP A 31 2.175 9.774 -10.778 1.00 72.44 H new ATOM 0 HB3 ASP A 31 0.509 9.628 -10.257 1.00 72.44 H new ATOM 503 N ASN A 32 2.903 7.140 -9.028 1.00 20.54 N ATOM 504 CA ASN A 32 2.933 5.671 -9.060 1.00 4.13 C ATOM 505 C ASN A 32 2.647 5.063 -7.675 1.00 1.13 C ATOM 506 O ASN A 32 2.055 3.991 -7.568 1.00 5.12 O ATOM 507 CB ASN A 32 4.308 5.201 -9.561 1.00 13.21 C ATOM 508 CG ASN A 32 4.414 3.690 -9.691 1.00 3.03 C ATOM 509 OD1 ASN A 32 4.118 3.119 -10.737 1.00 75.22 O ATOM 510 ND2 ASN A 32 4.845 3.026 -8.636 1.00 73.02 N ATOM 0 H ASN A 32 3.806 7.576 -9.216 1.00 20.54 H new ATOM 0 HA ASN A 32 2.150 5.331 -9.738 1.00 4.13 H new ATOM 0 HB2 ASN A 32 4.510 5.658 -10.530 1.00 13.21 H new ATOM 0 HB3 ASN A 32 5.078 5.555 -8.875 1.00 13.21 H new ATOM 0 HD21 ASN A 32 4.940 2.011 -8.676 1.00 73.02 H new ATOM 0 HD22 ASN A 32 5.084 3.527 -7.780 1.00 73.02 H new ATOM 517 N GLU A 33 3.058 5.767 -6.622 1.00 12.12 N ATOM 518 CA GLU A 33 2.992 5.242 -5.250 1.00 45.31 C ATOM 519 C GLU A 33 1.624 5.486 -4.590 1.00 72.52 C ATOM 520 O GLU A 33 0.836 6.320 -5.043 1.00 44.12 O ATOM 521 CB GLU A 33 4.095 5.886 -4.402 1.00 22.34 C ATOM 522 CG GLU A 33 5.496 5.727 -4.977 1.00 51.01 C ATOM 523 CD GLU A 33 5.958 4.278 -5.037 1.00 73.31 C ATOM 524 OE1 GLU A 33 6.266 3.706 -3.976 1.00 62.51 O ATOM 525 OE2 GLU A 33 6.031 3.714 -6.153 1.00 11.04 O ATOM 0 H GLU A 33 3.443 6.709 -6.689 1.00 12.12 H new ATOM 0 HA GLU A 33 3.136 4.163 -5.307 1.00 45.31 H new ATOM 0 HB2 GLU A 33 3.878 6.948 -4.290 1.00 22.34 H new ATOM 0 HB3 GLU A 33 4.072 5.449 -3.404 1.00 22.34 H new ATOM 0 HG2 GLU A 33 5.520 6.151 -5.981 1.00 51.01 H new ATOM 0 HG3 GLU A 33 6.198 6.301 -4.371 1.00 51.01 H new ATOM 532 N LEU A 34 1.357 4.753 -3.510 1.00 25.12 N ATOM 533 CA LEU A 34 0.107 4.901 -2.747 1.00 4.14 C ATOM 534 C LEU A 34 0.371 5.606 -1.398 1.00 14.14 C ATOM 535 O LEU A 34 1.248 5.197 -0.635 1.00 13.22 O ATOM 536 CB LEU A 34 -0.524 3.514 -2.498 1.00 24.53 C ATOM 537 CG LEU A 34 -2.067 3.456 -2.444 1.00 42.32 C ATOM 538 CD1 LEU A 34 -2.535 2.059 -2.050 1.00 60.12 C ATOM 539 CD2 LEU A 34 -2.648 4.501 -1.493 1.00 73.31 C ATOM 0 H LEU A 34 1.990 4.045 -3.138 1.00 25.12 H new ATOM 0 HA LEU A 34 -0.582 5.513 -3.329 1.00 4.14 H new ATOM 0 HB2 LEU A 34 -0.185 2.839 -3.284 1.00 24.53 H new ATOM 0 HB3 LEU A 34 -0.135 3.127 -1.556 1.00 24.53 H new ATOM 0 HG LEU A 34 -2.435 3.686 -3.444 1.00 42.32 H new ATOM 0 HD11 LEU A 34 -3.624 2.036 -2.017 1.00 60.12 H new ATOM 0 HD12 LEU A 34 -2.179 1.336 -2.784 1.00 60.12 H new ATOM 0 HD13 LEU A 34 -2.137 1.805 -1.068 1.00 60.12 H new ATOM 0 HD21 LEU A 34 -3.735 4.423 -1.487 1.00 73.31 H new ATOM 0 HD22 LEU A 34 -2.267 4.329 -0.487 1.00 73.31 H new ATOM 0 HD23 LEU A 34 -2.357 5.497 -1.826 1.00 73.31 H new ATOM 551 N THR A 35 -0.390 6.659 -1.109 1.00 32.24 N ATOM 552 CA THR A 35 -0.260 7.384 0.168 1.00 24.32 C ATOM 553 C THR A 35 -1.147 6.777 1.267 1.00 61.14 C ATOM 554 O THR A 35 -2.375 6.880 1.215 1.00 41.41 O ATOM 555 CB THR A 35 -0.625 8.885 0.017 1.00 1.23 C ATOM 556 OG1 THR A 35 0.249 9.509 -0.932 1.00 32.31 O ATOM 557 CG2 THR A 35 -0.534 9.624 1.352 1.00 61.24 C ATOM 0 H THR A 35 -1.103 7.034 -1.735 1.00 32.24 H new ATOM 0 HA THR A 35 0.787 7.291 0.457 1.00 24.32 H new ATOM 0 HB THR A 35 -1.655 8.940 -0.334 1.00 1.23 H new ATOM 0 HG1 THR A 35 0.011 10.455 -1.023 1.00 32.31 H new ATOM 0 HG21 THR A 35 -0.796 10.672 1.206 1.00 61.24 H new ATOM 0 HG22 THR A 35 -1.224 9.173 2.065 1.00 61.24 H new ATOM 0 HG23 THR A 35 0.483 9.555 1.737 1.00 61.24 H new ATOM 565 N PHE A 36 -0.519 6.144 2.256 1.00 14.23 N ATOM 566 CA PHE A 36 -1.235 5.632 3.430 1.00 54.11 C ATOM 567 C PHE A 36 -0.331 5.640 4.670 1.00 65.53 C ATOM 568 O PHE A 36 0.865 5.364 4.587 1.00 43.30 O ATOM 569 CB PHE A 36 -1.800 4.225 3.173 1.00 73.10 C ATOM 570 CG PHE A 36 -0.783 3.208 2.716 1.00 44.24 C ATOM 571 CD1 PHE A 36 -0.013 2.506 3.631 1.00 60.10 C ATOM 572 CD2 PHE A 36 -0.612 2.943 1.364 1.00 1.43 C ATOM 573 CE1 PHE A 36 0.904 1.563 3.208 1.00 31.50 C ATOM 574 CE2 PHE A 36 0.305 2.004 0.937 1.00 21.22 C ATOM 575 CZ PHE A 36 1.062 1.314 1.860 1.00 40.31 C ATOM 0 H PHE A 36 0.486 5.972 2.271 1.00 14.23 H new ATOM 0 HA PHE A 36 -2.077 6.298 3.619 1.00 54.11 H new ATOM 0 HB2 PHE A 36 -2.268 3.864 4.089 1.00 73.10 H new ATOM 0 HB3 PHE A 36 -2.585 4.296 2.420 1.00 73.10 H new ATOM 0 HD1 PHE A 36 -0.132 2.699 4.687 1.00 60.10 H new ATOM 0 HD2 PHE A 36 -1.204 3.479 0.637 1.00 1.43 H new ATOM 0 HE1 PHE A 36 1.496 1.022 3.931 1.00 31.50 H new ATOM 0 HE2 PHE A 36 0.429 1.810 -0.118 1.00 21.22 H new ATOM 0 HZ PHE A 36 1.779 0.578 1.528 1.00 40.31 H new ATOM 585 N LYS A 37 -0.911 5.960 5.821 1.00 64.13 N ATOM 586 CA LYS A 37 -0.140 6.130 7.056 1.00 61.00 C ATOM 587 C LYS A 37 -0.018 4.810 7.843 1.00 11.44 C ATOM 588 O LYS A 37 -0.676 3.818 7.527 1.00 52.33 O ATOM 589 CB LYS A 37 -0.794 7.217 7.925 1.00 62.32 C ATOM 590 CG LYS A 37 -1.080 8.520 7.173 1.00 55.04 C ATOM 591 CD LYS A 37 0.169 9.077 6.490 1.00 32.23 C ATOM 592 CE LYS A 37 -0.133 10.333 5.681 1.00 63.23 C ATOM 593 NZ LYS A 37 -0.531 11.479 6.540 1.00 31.54 N ATOM 0 H LYS A 37 -1.914 6.108 5.929 1.00 64.13 H new ATOM 0 HA LYS A 37 0.870 6.437 6.786 1.00 61.00 H new ATOM 0 HB2 LYS A 37 -1.728 6.830 8.332 1.00 62.32 H new ATOM 0 HB3 LYS A 37 -0.143 7.433 8.772 1.00 62.32 H new ATOM 0 HG2 LYS A 37 -1.853 8.344 6.425 1.00 55.04 H new ATOM 0 HG3 LYS A 37 -1.473 9.261 7.869 1.00 55.04 H new ATOM 0 HD2 LYS A 37 0.923 9.304 7.244 1.00 32.23 H new ATOM 0 HD3 LYS A 37 0.593 8.317 5.834 1.00 32.23 H new ATOM 0 HE2 LYS A 37 0.747 10.607 5.099 1.00 63.23 H new ATOM 0 HE3 LYS A 37 -0.932 10.121 4.970 1.00 63.23 H new ATOM 0 HZ1 LYS A 37 -0.676 12.322 5.949 1.00 31.54 H new ATOM 0 HZ2 LYS A 37 -1.414 11.249 7.038 1.00 31.54 H new ATOM 0 HZ3 LYS A 37 0.219 11.669 7.235 1.00 31.54 H new ATOM 607 N ALA A 38 0.832 4.807 8.869 1.00 52.32 N ATOM 608 CA ALA A 38 1.050 3.610 9.693 1.00 14.21 C ATOM 609 C ALA A 38 -0.248 3.114 10.356 1.00 71.14 C ATOM 610 O ALA A 38 -1.020 3.901 10.911 1.00 15.40 O ATOM 611 CB ALA A 38 2.107 3.891 10.751 1.00 22.03 C ATOM 0 H ALA A 38 1.382 5.618 9.153 1.00 52.32 H new ATOM 0 HA ALA A 38 1.398 2.817 9.031 1.00 14.21 H new ATOM 0 HB1 ALA A 38 2.262 2.998 11.357 1.00 22.03 H new ATOM 0 HB2 ALA A 38 3.043 4.167 10.266 1.00 22.03 H new ATOM 0 HB3 ALA A 38 1.774 4.709 11.389 1.00 22.03 H new ATOM 617 N GLY A 39 -0.483 1.807 10.289 1.00 71.53 N ATOM 618 CA GLY A 39 -1.661 1.212 10.917 1.00 63.53 C ATOM 619 C GLY A 39 -2.860 1.090 9.979 1.00 21.52 C ATOM 620 O GLY A 39 -3.804 0.347 10.263 1.00 71.54 O ATOM 0 H GLY A 39 0.123 1.141 9.809 1.00 71.53 H new ATOM 0 HA2 GLY A 39 -1.401 0.222 11.291 1.00 63.53 H new ATOM 0 HA3 GLY A 39 -1.945 1.814 11.780 1.00 63.53 H new ATOM 624 N GLU A 40 -2.832 1.811 8.859 1.00 11.15 N ATOM 625 CA GLU A 40 -3.957 1.809 7.914 1.00 53.21 C ATOM 626 C GLU A 40 -4.158 0.437 7.251 1.00 64.22 C ATOM 627 O GLU A 40 -3.219 -0.347 7.109 1.00 54.20 O ATOM 628 CB GLU A 40 -3.766 2.887 6.833 1.00 73.14 C ATOM 629 CG GLU A 40 -3.696 4.312 7.378 1.00 4.31 C ATOM 630 CD GLU A 40 -4.868 4.665 8.283 1.00 2.13 C ATOM 631 OE1 GLU A 40 -6.028 4.581 7.826 1.00 20.04 O ATOM 632 OE2 GLU A 40 -4.636 5.039 9.452 1.00 74.33 O ATOM 0 H GLU A 40 -2.049 2.402 8.581 1.00 11.15 H new ATOM 0 HA GLU A 40 -4.853 2.034 8.493 1.00 53.21 H new ATOM 0 HB2 GLU A 40 -2.850 2.675 6.282 1.00 73.14 H new ATOM 0 HB3 GLU A 40 -4.589 2.822 6.121 1.00 73.14 H new ATOM 0 HG2 GLU A 40 -2.766 4.437 7.933 1.00 4.31 H new ATOM 0 HG3 GLU A 40 -3.666 5.012 6.543 1.00 4.31 H new ATOM 639 N ILE A 41 -5.398 0.158 6.852 1.00 12.25 N ATOM 640 CA ILE A 41 -5.741 -1.109 6.200 1.00 2.44 C ATOM 641 C ILE A 41 -5.778 -0.943 4.672 1.00 41.32 C ATOM 642 O ILE A 41 -6.674 -0.292 4.129 1.00 23.32 O ATOM 643 CB ILE A 41 -7.115 -1.640 6.692 1.00 2.51 C ATOM 644 CG1 ILE A 41 -7.165 -1.669 8.231 1.00 74.32 C ATOM 645 CG2 ILE A 41 -7.394 -3.028 6.117 1.00 20.12 C ATOM 646 CD1 ILE A 41 -6.115 -2.553 8.866 1.00 1.01 C ATOM 0 H ILE A 41 -6.187 0.794 6.969 1.00 12.25 H new ATOM 0 HA ILE A 41 -4.969 -1.831 6.466 1.00 2.44 H new ATOM 0 HB ILE A 41 -7.891 -0.962 6.337 1.00 2.51 H new ATOM 0 HG12 ILE A 41 -7.045 -0.653 8.607 1.00 74.32 H new ATOM 0 HG13 ILE A 41 -8.151 -2.011 8.545 1.00 74.32 H new ATOM 0 HG21 ILE A 41 -8.361 -3.382 6.474 1.00 20.12 H new ATOM 0 HG22 ILE A 41 -7.406 -2.975 5.028 1.00 20.12 H new ATOM 0 HG23 ILE A 41 -6.614 -3.718 6.438 1.00 20.12 H new ATOM 0 HD11 ILE A 41 -6.218 -2.518 9.951 1.00 1.01 H new ATOM 0 HD12 ILE A 41 -6.246 -3.579 8.522 1.00 1.01 H new ATOM 0 HD13 ILE A 41 -5.123 -2.200 8.584 1.00 1.01 H new ATOM 658 N ILE A 42 -4.801 -1.527 3.985 1.00 71.41 N ATOM 659 CA ILE A 42 -4.710 -1.417 2.527 1.00 12.13 C ATOM 660 C ILE A 42 -5.401 -2.602 1.838 1.00 21.54 C ATOM 661 O ILE A 42 -5.009 -3.756 2.019 1.00 63.32 O ATOM 662 CB ILE A 42 -3.235 -1.347 2.035 1.00 52.33 C ATOM 663 CG1 ILE A 42 -2.510 -0.115 2.609 1.00 72.04 C ATOM 664 CG2 ILE A 42 -3.178 -1.328 0.506 1.00 23.00 C ATOM 665 CD1 ILE A 42 -2.196 -0.205 4.089 1.00 4.43 C ATOM 0 H ILE A 42 -4.059 -2.082 4.412 1.00 71.41 H new ATOM 0 HA ILE A 42 -5.214 -0.488 2.260 1.00 12.13 H new ATOM 0 HB ILE A 42 -2.724 -2.239 2.396 1.00 52.33 H new ATOM 0 HG12 ILE A 42 -1.579 0.031 2.061 1.00 72.04 H new ATOM 0 HG13 ILE A 42 -3.125 0.768 2.434 1.00 72.04 H new ATOM 0 HG21 ILE A 42 -2.139 -1.279 0.181 1.00 23.00 H new ATOM 0 HG22 ILE A 42 -3.638 -2.235 0.113 1.00 23.00 H new ATOM 0 HG23 ILE A 42 -3.716 -0.457 0.133 1.00 23.00 H new ATOM 0 HD11 ILE A 42 -1.686 0.704 4.409 1.00 4.43 H new ATOM 0 HD12 ILE A 42 -3.123 -0.318 4.651 1.00 4.43 H new ATOM 0 HD13 ILE A 42 -1.553 -1.066 4.273 1.00 4.43 H new ATOM 677 N THR A 43 -6.435 -2.314 1.056 1.00 75.41 N ATOM 678 CA THR A 43 -7.096 -3.347 0.253 1.00 11.12 C ATOM 679 C THR A 43 -6.283 -3.629 -1.018 1.00 41.11 C ATOM 680 O THR A 43 -6.264 -2.812 -1.937 1.00 13.11 O ATOM 681 CB THR A 43 -8.526 -2.913 -0.153 1.00 23.54 C ATOM 682 OG1 THR A 43 -9.316 -2.619 1.009 1.00 1.03 O ATOM 683 CG2 THR A 43 -9.221 -3.996 -0.966 1.00 52.52 C ATOM 0 H THR A 43 -6.835 -1.381 0.958 1.00 75.41 H new ATOM 0 HA THR A 43 -7.160 -4.248 0.863 1.00 11.12 H new ATOM 0 HB THR A 43 -8.431 -2.016 -0.765 1.00 23.54 H new ATOM 0 HG1 THR A 43 -10.215 -2.345 0.732 1.00 1.03 H new ATOM 0 HG21 THR A 43 -10.223 -3.662 -1.236 1.00 52.52 H new ATOM 0 HG22 THR A 43 -8.648 -4.195 -1.872 1.00 52.52 H new ATOM 0 HG23 THR A 43 -9.290 -4.908 -0.373 1.00 52.52 H new ATOM 691 N VAL A 44 -5.619 -4.780 -1.084 1.00 5.23 N ATOM 692 CA VAL A 44 -4.760 -5.083 -2.232 1.00 41.11 C ATOM 693 C VAL A 44 -5.562 -5.712 -3.385 1.00 11.41 C ATOM 694 O VAL A 44 -6.145 -6.793 -3.259 1.00 71.32 O ATOM 695 CB VAL A 44 -3.553 -5.980 -1.838 1.00 31.53 C ATOM 696 CG1 VAL A 44 -3.996 -7.333 -1.301 1.00 21.53 C ATOM 697 CG2 VAL A 44 -2.594 -6.144 -3.015 1.00 40.51 C ATOM 0 H VAL A 44 -5.655 -5.509 -0.371 1.00 5.23 H new ATOM 0 HA VAL A 44 -4.357 -4.133 -2.583 1.00 41.11 H new ATOM 0 HB VAL A 44 -3.024 -5.475 -1.030 1.00 31.53 H new ATOM 0 HG11 VAL A 44 -3.119 -7.925 -1.039 1.00 21.53 H new ATOM 0 HG12 VAL A 44 -4.614 -7.188 -0.415 1.00 21.53 H new ATOM 0 HG13 VAL A 44 -4.572 -7.856 -2.064 1.00 21.53 H new ATOM 0 HG21 VAL A 44 -1.757 -6.775 -2.717 1.00 40.51 H new ATOM 0 HG22 VAL A 44 -3.119 -6.608 -3.850 1.00 40.51 H new ATOM 0 HG23 VAL A 44 -2.221 -5.166 -3.319 1.00 40.51 H new ATOM 707 N LEU A 45 -5.605 -5.004 -4.510 1.00 41.31 N ATOM 708 CA LEU A 45 -6.405 -5.417 -5.665 1.00 24.20 C ATOM 709 C LEU A 45 -5.620 -6.357 -6.589 1.00 55.41 C ATOM 710 O LEU A 45 -6.187 -7.272 -7.189 1.00 61.24 O ATOM 711 CB LEU A 45 -6.854 -4.173 -6.447 1.00 31.34 C ATOM 712 CG LEU A 45 -7.604 -3.115 -5.620 1.00 22.13 C ATOM 713 CD1 LEU A 45 -7.924 -1.887 -6.469 1.00 14.12 C ATOM 714 CD2 LEU A 45 -8.879 -3.707 -5.020 1.00 62.42 C ATOM 0 H LEU A 45 -5.091 -4.134 -4.649 1.00 41.31 H new ATOM 0 HA LEU A 45 -7.275 -5.961 -5.298 1.00 24.20 H new ATOM 0 HB2 LEU A 45 -5.975 -3.707 -6.893 1.00 31.34 H new ATOM 0 HB3 LEU A 45 -7.496 -4.492 -7.268 1.00 31.34 H new ATOM 0 HG LEU A 45 -6.956 -2.799 -4.803 1.00 22.13 H new ATOM 0 HD11 LEU A 45 -8.454 -1.153 -5.862 1.00 14.12 H new ATOM 0 HD12 LEU A 45 -6.997 -1.449 -6.840 1.00 14.12 H new ATOM 0 HD13 LEU A 45 -8.549 -2.181 -7.312 1.00 14.12 H new ATOM 0 HD21 LEU A 45 -9.396 -2.944 -4.438 1.00 62.42 H new ATOM 0 HD22 LEU A 45 -9.530 -4.056 -5.821 1.00 62.42 H new ATOM 0 HD23 LEU A 45 -8.621 -4.544 -4.372 1.00 62.42 H new ATOM 726 N ASP A 46 -4.315 -6.125 -6.694 1.00 31.51 N ATOM 727 CA ASP A 46 -3.465 -6.901 -7.598 1.00 35.31 C ATOM 728 C ASP A 46 -2.020 -6.994 -7.071 1.00 34.42 C ATOM 729 O ASP A 46 -1.335 -5.980 -6.925 1.00 1.45 O ATOM 730 CB ASP A 46 -3.487 -6.265 -8.996 1.00 72.10 C ATOM 731 CG ASP A 46 -2.571 -6.973 -9.976 1.00 42.41 C ATOM 732 OD1 ASP A 46 -2.920 -8.087 -10.428 1.00 20.01 O ATOM 733 OD2 ASP A 46 -1.493 -6.426 -10.294 1.00 54.31 O ATOM 0 H ASP A 46 -3.821 -5.406 -6.165 1.00 31.51 H new ATOM 0 HA ASP A 46 -3.858 -7.916 -7.655 1.00 35.31 H new ATOM 0 HB2 ASP A 46 -4.506 -6.281 -9.382 1.00 72.10 H new ATOM 0 HB3 ASP A 46 -3.191 -5.219 -8.919 1.00 72.10 H new ATOM 738 N ASP A 47 -1.572 -8.213 -6.777 1.00 54.43 N ATOM 739 CA ASP A 47 -0.192 -8.449 -6.351 1.00 11.25 C ATOM 740 C ASP A 47 0.367 -9.751 -6.958 1.00 31.22 C ATOM 741 O ASP A 47 0.197 -10.844 -6.417 1.00 54.54 O ATOM 742 CB ASP A 47 -0.093 -8.453 -4.815 1.00 30.43 C ATOM 743 CG ASP A 47 -1.024 -9.448 -4.142 1.00 4.25 C ATOM 744 OD1 ASP A 47 -2.246 -9.189 -4.092 1.00 20.11 O ATOM 745 OD2 ASP A 47 -0.540 -10.491 -3.653 1.00 5.34 O ATOM 0 H ASP A 47 -2.145 -9.055 -6.826 1.00 54.43 H new ATOM 0 HA ASP A 47 0.424 -7.631 -6.724 1.00 11.25 H new ATOM 0 HB2 ASP A 47 0.934 -8.679 -4.527 1.00 30.43 H new ATOM 0 HB3 ASP A 47 -0.316 -7.453 -4.443 1.00 30.43 H new ATOM 750 N SER A 48 1.025 -9.626 -8.110 1.00 54.41 N ATOM 751 CA SER A 48 1.585 -10.791 -8.813 1.00 41.12 C ATOM 752 C SER A 48 2.936 -11.220 -8.222 1.00 3.45 C ATOM 753 O SER A 48 3.454 -12.287 -8.553 1.00 22.43 O ATOM 754 CB SER A 48 1.742 -10.491 -10.311 1.00 63.34 C ATOM 755 OG SER A 48 0.488 -10.214 -10.918 1.00 30.01 O ATOM 0 H SER A 48 1.186 -8.735 -8.579 1.00 54.41 H new ATOM 0 HA SER A 48 0.884 -11.616 -8.682 1.00 41.12 H new ATOM 0 HB2 SER A 48 2.409 -9.639 -10.445 1.00 63.34 H new ATOM 0 HB3 SER A 48 2.208 -11.342 -10.807 1.00 63.34 H new ATOM 0 HG SER A 48 0.620 -10.025 -11.871 1.00 30.01 H new ATOM 761 N ASP A 49 3.511 -10.381 -7.361 1.00 12.45 N ATOM 762 CA ASP A 49 4.767 -10.711 -6.677 1.00 74.11 C ATOM 763 C ASP A 49 4.926 -9.900 -5.377 1.00 21.32 C ATOM 764 O ASP A 49 4.435 -8.778 -5.273 1.00 12.32 O ATOM 765 CB ASP A 49 5.962 -10.478 -7.613 1.00 50.22 C ATOM 766 CG ASP A 49 6.058 -9.045 -8.104 1.00 5.31 C ATOM 767 OD1 ASP A 49 6.501 -8.181 -7.327 1.00 14.11 O ATOM 768 OD2 ASP A 49 5.702 -8.782 -9.272 1.00 43.21 O ATOM 0 H ASP A 49 3.129 -9.467 -7.119 1.00 12.45 H new ATOM 0 HA ASP A 49 4.737 -11.766 -6.406 1.00 74.11 H new ATOM 0 HB2 ASP A 49 6.882 -10.740 -7.091 1.00 50.22 H new ATOM 0 HB3 ASP A 49 5.881 -11.146 -8.471 1.00 50.22 H new ATOM 773 N PRO A 50 5.643 -10.446 -4.370 1.00 51.00 N ATOM 774 CA PRO A 50 5.847 -9.761 -3.077 1.00 52.21 C ATOM 775 C PRO A 50 6.787 -8.546 -3.164 1.00 20.40 C ATOM 776 O PRO A 50 7.257 -8.043 -2.140 1.00 51.44 O ATOM 777 CB PRO A 50 6.467 -10.857 -2.200 1.00 33.44 C ATOM 778 CG PRO A 50 7.157 -11.760 -3.165 1.00 65.42 C ATOM 779 CD PRO A 50 6.301 -11.769 -4.403 1.00 60.22 C ATOM 0 HA PRO A 50 4.914 -9.348 -2.694 1.00 52.21 H new ATOM 0 HB2 PRO A 50 7.167 -10.438 -1.477 1.00 33.44 H new ATOM 0 HB3 PRO A 50 5.704 -11.390 -1.633 1.00 33.44 H new ATOM 0 HG2 PRO A 50 8.162 -11.400 -3.387 1.00 65.42 H new ATOM 0 HG3 PRO A 50 7.261 -12.764 -2.755 1.00 65.42 H new ATOM 0 HD2 PRO A 50 6.899 -11.899 -5.305 1.00 60.22 H new ATOM 0 HD3 PRO A 50 5.574 -12.581 -4.384 1.00 60.22 H new ATOM 787 N ASN A 51 7.086 -8.093 -4.381 1.00 1.45 N ATOM 788 CA ASN A 51 7.915 -6.901 -4.586 1.00 14.33 C ATOM 789 C ASN A 51 7.093 -5.705 -5.099 1.00 41.12 C ATOM 790 O ASN A 51 7.491 -4.557 -4.927 1.00 35.43 O ATOM 791 CB ASN A 51 9.057 -7.231 -5.552 1.00 11.15 C ATOM 792 CG ASN A 51 9.952 -8.339 -5.020 1.00 3.33 C ATOM 793 OD1 ASN A 51 10.156 -8.374 -3.717 1.00 11.53 O flip ATOM 794 ND2 ASN A 51 10.468 -9.159 -5.774 1.00 61.53 N flip ATOM 0 H ASN A 51 6.766 -8.534 -5.244 1.00 1.45 H new ATOM 0 HA ASN A 51 8.329 -6.607 -3.622 1.00 14.33 H new ATOM 0 HB2 ASN A 51 8.642 -7.531 -6.514 1.00 11.15 H new ATOM 0 HB3 ASN A 51 9.654 -6.336 -5.727 1.00 11.15 H new ATOM 0 HD21 ASN A 51 10.294 -9.109 -6.778 1.00 61.53 H new ATOM 0 HD22 ASN A 51 11.071 -9.890 -5.397 1.00 61.53 H new ATOM 801 N TRP A 52 5.951 -5.976 -5.739 1.00 34.14 N ATOM 802 CA TRP A 52 5.084 -4.913 -6.274 1.00 44.20 C ATOM 803 C TRP A 52 3.598 -5.197 -5.999 1.00 0.24 C ATOM 804 O TRP A 52 2.969 -6.009 -6.681 1.00 10.11 O ATOM 805 CB TRP A 52 5.307 -4.742 -7.786 1.00 53.24 C ATOM 806 CG TRP A 52 6.665 -4.209 -8.140 1.00 53.42 C ATOM 807 CD1 TRP A 52 7.807 -4.932 -8.328 1.00 22.52 C ATOM 808 CD2 TRP A 52 7.020 -2.836 -8.347 1.00 34.43 C ATOM 809 NE1 TRP A 52 8.848 -4.095 -8.633 1.00 12.20 N ATOM 810 CE2 TRP A 52 8.394 -2.804 -8.653 1.00 40.11 C ATOM 811 CE3 TRP A 52 6.313 -1.633 -8.299 1.00 32.14 C ATOM 812 CZ2 TRP A 52 9.070 -1.617 -8.915 1.00 54.30 C ATOM 813 CZ3 TRP A 52 6.985 -0.453 -8.560 1.00 51.03 C ATOM 814 CH2 TRP A 52 8.354 -0.452 -8.863 1.00 41.33 C ATOM 0 H TRP A 52 5.603 -6.921 -5.901 1.00 34.14 H new ATOM 0 HA TRP A 52 5.354 -3.989 -5.762 1.00 44.20 H new ATOM 0 HB2 TRP A 52 5.166 -5.705 -8.276 1.00 53.24 H new ATOM 0 HB3 TRP A 52 4.547 -4.068 -8.182 1.00 53.24 H new ATOM 0 HD1 TRP A 52 7.880 -6.007 -8.248 1.00 22.52 H new ATOM 0 HE1 TRP A 52 9.808 -4.387 -8.816 1.00 12.20 H new ATOM 0 HE3 TRP A 52 5.259 -1.624 -8.062 1.00 32.14 H new ATOM 0 HZ2 TRP A 52 10.124 -1.615 -9.151 1.00 54.30 H new ATOM 0 HZ3 TRP A 52 6.447 0.483 -8.530 1.00 51.03 H new ATOM 0 HH2 TRP A 52 8.853 0.486 -9.059 1.00 41.33 H new ATOM 825 N TRP A 53 3.047 -4.523 -4.990 1.00 22.53 N ATOM 826 CA TRP A 53 1.628 -4.669 -4.629 1.00 33.23 C ATOM 827 C TRP A 53 0.810 -3.424 -5.018 1.00 42.52 C ATOM 828 O TRP A 53 1.226 -2.291 -4.770 1.00 63.54 O ATOM 829 CB TRP A 53 1.491 -4.933 -3.119 1.00 60.13 C ATOM 830 CG TRP A 53 1.865 -6.327 -2.709 1.00 61.31 C ATOM 831 CD1 TRP A 53 2.631 -7.215 -3.404 1.00 73.12 C ATOM 832 CD2 TRP A 53 1.480 -6.993 -1.501 1.00 64.02 C ATOM 833 NE1 TRP A 53 2.725 -8.398 -2.717 1.00 24.23 N ATOM 834 CE2 TRP A 53 2.036 -8.282 -1.540 1.00 61.21 C ATOM 835 CE3 TRP A 53 0.718 -6.622 -0.390 1.00 2.11 C ATOM 836 CZ2 TRP A 53 1.851 -9.207 -0.515 1.00 34.04 C ATOM 837 CZ3 TRP A 53 0.538 -7.537 0.627 1.00 10.33 C ATOM 838 CH2 TRP A 53 1.103 -8.816 0.561 1.00 11.21 C ATOM 0 H TRP A 53 3.561 -3.866 -4.403 1.00 22.53 H new ATOM 0 HA TRP A 53 1.231 -5.518 -5.186 1.00 33.23 H new ATOM 0 HB2 TRP A 53 2.119 -4.225 -2.578 1.00 60.13 H new ATOM 0 HB3 TRP A 53 0.461 -4.740 -2.818 1.00 60.13 H new ATOM 0 HD1 TRP A 53 3.097 -7.016 -4.358 1.00 73.12 H new ATOM 0 HE1 TRP A 53 3.226 -9.229 -3.032 1.00 24.23 H new ATOM 0 HE3 TRP A 53 0.278 -5.638 -0.328 1.00 2.11 H new ATOM 0 HZ2 TRP A 53 2.282 -10.196 -0.568 1.00 34.04 H new ATOM 0 HZ3 TRP A 53 -0.050 -7.261 1.490 1.00 10.33 H new ATOM 0 HH2 TRP A 53 0.945 -9.507 1.376 1.00 11.21 H new ATOM 849 N LYS A 54 -0.352 -3.646 -5.643 1.00 65.54 N ATOM 850 CA LYS A 54 -1.279 -2.556 -5.992 1.00 62.13 C ATOM 851 C LYS A 54 -2.500 -2.558 -5.059 1.00 23.43 C ATOM 852 O LYS A 54 -3.300 -3.497 -5.071 1.00 11.05 O ATOM 853 CB LYS A 54 -1.741 -2.690 -7.452 1.00 44.41 C ATOM 854 CG LYS A 54 -2.650 -1.554 -7.919 1.00 61.13 C ATOM 855 CD LYS A 54 -3.082 -1.718 -9.377 1.00 54.21 C ATOM 856 CE LYS A 54 -3.941 -0.548 -9.846 1.00 14.50 C ATOM 857 NZ LYS A 54 -4.359 -0.687 -11.267 1.00 15.14 N ATOM 0 H LYS A 54 -0.676 -4.573 -5.919 1.00 65.54 H new ATOM 0 HA LYS A 54 -0.748 -1.612 -5.872 1.00 62.13 H new ATOM 0 HB2 LYS A 54 -0.864 -2.730 -8.098 1.00 44.41 H new ATOM 0 HB3 LYS A 54 -2.268 -3.637 -7.571 1.00 44.41 H new ATOM 0 HG2 LYS A 54 -3.534 -1.514 -7.283 1.00 61.13 H new ATOM 0 HG3 LYS A 54 -2.130 -0.604 -7.801 1.00 61.13 H new ATOM 0 HD2 LYS A 54 -2.199 -1.798 -10.011 1.00 54.21 H new ATOM 0 HD3 LYS A 54 -3.641 -2.647 -9.489 1.00 54.21 H new ATOM 0 HE2 LYS A 54 -4.827 -0.475 -9.215 1.00 14.50 H new ATOM 0 HE3 LYS A 54 -3.384 0.381 -9.723 1.00 14.50 H new ATOM 0 HZ1 LYS A 54 -4.940 0.131 -11.540 1.00 15.14 H new ATOM 0 HZ2 LYS A 54 -3.516 -0.730 -11.874 1.00 15.14 H new ATOM 0 HZ3 LYS A 54 -4.914 -1.559 -11.382 1.00 15.14 H new ATOM 871 N GLY A 55 -2.654 -1.496 -4.271 1.00 12.34 N ATOM 872 CA GLY A 55 -3.722 -1.447 -3.279 1.00 22.40 C ATOM 873 C GLY A 55 -4.676 -0.269 -3.452 1.00 13.20 C ATOM 874 O GLY A 55 -4.446 0.622 -4.273 1.00 5.35 O ATOM 0 H GLY A 55 -2.060 -0.668 -4.300 1.00 12.34 H new ATOM 0 HA2 GLY A 55 -4.293 -2.374 -3.329 1.00 22.40 H new ATOM 0 HA3 GLY A 55 -3.278 -1.399 -2.285 1.00 22.40 H new ATOM 878 N GLU A 56 -5.743 -0.271 -2.658 1.00 64.24 N ATOM 879 CA GLU A 56 -6.751 0.793 -2.678 1.00 3.13 C ATOM 880 C GLU A 56 -7.004 1.341 -1.264 1.00 62.52 C ATOM 881 O GLU A 56 -7.206 0.577 -0.317 1.00 62.24 O ATOM 882 CB GLU A 56 -8.079 0.262 -3.252 1.00 62.34 C ATOM 883 CG GLU A 56 -9.201 1.302 -3.284 1.00 15.22 C ATOM 884 CD GLU A 56 -10.578 0.695 -3.526 1.00 1.53 C ATOM 885 OE1 GLU A 56 -11.223 0.273 -2.540 1.00 33.12 O ATOM 886 OE2 GLU A 56 -11.033 0.659 -4.691 1.00 12.14 O ATOM 0 H GLU A 56 -5.936 -1.009 -1.981 1.00 64.24 H new ATOM 0 HA GLU A 56 -6.370 1.596 -3.309 1.00 3.13 H new ATOM 0 HB2 GLU A 56 -7.906 -0.102 -4.265 1.00 62.34 H new ATOM 0 HB3 GLU A 56 -8.405 -0.591 -2.657 1.00 62.34 H new ATOM 0 HG2 GLU A 56 -9.212 1.844 -2.339 1.00 15.22 H new ATOM 0 HG3 GLU A 56 -8.990 2.030 -4.067 1.00 15.22 H new ATOM 893 N THR A 57 -6.977 2.664 -1.127 1.00 64.45 N ATOM 894 CA THR A 57 -7.368 3.332 0.125 1.00 50.33 C ATOM 895 C THR A 57 -8.401 4.423 -0.166 1.00 11.05 C ATOM 896 O THR A 57 -8.565 4.841 -1.315 1.00 21.30 O ATOM 897 CB THR A 57 -6.163 3.984 0.849 1.00 14.31 C ATOM 898 OG1 THR A 57 -5.682 5.111 0.099 1.00 3.45 O ATOM 899 CG2 THR A 57 -5.025 2.986 1.049 1.00 14.43 C ATOM 0 H THR A 57 -6.688 3.303 -1.868 1.00 64.45 H new ATOM 0 HA THR A 57 -7.785 2.562 0.774 1.00 50.33 H new ATOM 0 HB THR A 57 -6.508 4.315 1.828 1.00 14.31 H new ATOM 0 HG1 THR A 57 -4.831 5.417 0.478 1.00 3.45 H new ATOM 0 HG21 THR A 57 -4.196 3.477 1.560 1.00 14.43 H new ATOM 0 HG22 THR A 57 -5.377 2.148 1.651 1.00 14.43 H new ATOM 0 HG23 THR A 57 -4.688 2.620 0.079 1.00 14.43 H new ATOM 907 N HIS A 58 -9.102 4.898 0.864 1.00 54.10 N ATOM 908 CA HIS A 58 -10.047 6.006 0.684 1.00 75.50 C ATOM 909 C HIS A 58 -9.309 7.305 0.301 1.00 71.53 C ATOM 910 O HIS A 58 -9.920 8.274 -0.146 1.00 43.23 O ATOM 911 CB HIS A 58 -10.886 6.218 1.952 1.00 60.22 C ATOM 912 CG HIS A 58 -11.986 7.223 1.773 1.00 1.10 C ATOM 913 ND1 HIS A 58 -11.888 8.533 2.189 1.00 13.24 N ATOM 914 CD2 HIS A 58 -13.211 7.109 1.201 1.00 44.20 C ATOM 915 CE1 HIS A 58 -12.994 9.178 1.880 1.00 64.23 C ATOM 916 NE2 HIS A 58 -13.811 8.340 1.278 1.00 15.20 N ATOM 0 H HIS A 58 -9.037 4.542 1.818 1.00 54.10 H new ATOM 0 HA HIS A 58 -10.719 5.743 -0.133 1.00 75.50 H new ATOM 0 HB2 HIS A 58 -11.319 5.265 2.256 1.00 60.22 H new ATOM 0 HB3 HIS A 58 -10.233 6.544 2.761 1.00 60.22 H new ATOM 0 HD2 HIS A 58 -13.635 6.216 0.766 1.00 44.20 H new ATOM 0 HE1 HIS A 58 -13.196 10.219 2.086 1.00 64.23 H new ATOM 0 HE2 HIS A 58 -14.740 8.569 0.926 1.00 15.20 H new ATOM 925 N GLN A 59 -7.989 7.306 0.477 1.00 32.44 N ATOM 926 CA GLN A 59 -7.146 8.441 0.090 1.00 21.42 C ATOM 927 C GLN A 59 -6.778 8.372 -1.407 1.00 65.20 C ATOM 928 O GLN A 59 -6.849 9.373 -2.125 1.00 53.44 O ATOM 929 CB GLN A 59 -5.872 8.463 0.951 1.00 41.21 C ATOM 930 CG GLN A 59 -5.005 9.705 0.759 1.00 63.31 C ATOM 931 CD GLN A 59 -5.686 10.984 1.225 1.00 13.41 C ATOM 932 OE1 GLN A 59 -6.382 11.646 0.463 1.00 23.21 O ATOM 933 NE2 GLN A 59 -5.497 11.343 2.482 1.00 73.45 N ATOM 0 H GLN A 59 -7.474 6.527 0.889 1.00 32.44 H new ATOM 0 HA GLN A 59 -7.708 9.360 0.257 1.00 21.42 H new ATOM 0 HB2 GLN A 59 -6.156 8.391 2.001 1.00 41.21 H new ATOM 0 HB3 GLN A 59 -5.277 7.579 0.721 1.00 41.21 H new ATOM 0 HG2 GLN A 59 -4.071 9.577 1.306 1.00 63.31 H new ATOM 0 HG3 GLN A 59 -4.746 9.801 -0.295 1.00 63.31 H new ATOM 0 HE21 GLN A 59 -4.913 10.772 3.093 1.00 73.45 H new ATOM 0 HE22 GLN A 59 -5.935 12.191 2.842 1.00 73.45 H new ATOM 942 N GLY A 60 -6.396 7.180 -1.877 1.00 2.32 N ATOM 943 CA GLY A 60 -6.028 7.008 -3.282 1.00 24.14 C ATOM 944 C GLY A 60 -5.644 5.574 -3.646 1.00 5.54 C ATOM 945 O GLY A 60 -5.706 4.668 -2.810 1.00 25.45 O ATOM 0 H GLY A 60 -6.335 6.332 -1.313 1.00 2.32 H new ATOM 0 HA2 GLY A 60 -6.864 7.321 -3.908 1.00 24.14 H new ATOM 0 HA3 GLY A 60 -5.192 7.668 -3.513 1.00 24.14 H new ATOM 949 N ILE A 61 -5.252 5.372 -4.907 1.00 73.24 N ATOM 950 CA ILE A 61 -4.825 4.056 -5.406 1.00 44.01 C ATOM 951 C ILE A 61 -3.423 4.137 -6.037 1.00 73.25 C ATOM 952 O ILE A 61 -3.110 5.086 -6.761 1.00 44.24 O ATOM 953 CB ILE A 61 -5.824 3.504 -6.461 1.00 44.32 C ATOM 954 CG1 ILE A 61 -7.236 3.385 -5.857 1.00 3.34 C ATOM 955 CG2 ILE A 61 -5.354 2.154 -7.008 1.00 62.14 C ATOM 956 CD1 ILE A 61 -8.285 2.882 -6.832 1.00 2.41 C ATOM 0 H ILE A 61 -5.221 6.110 -5.610 1.00 73.24 H new ATOM 0 HA ILE A 61 -4.799 3.380 -4.551 1.00 44.01 H new ATOM 0 HB ILE A 61 -5.863 4.208 -7.292 1.00 44.32 H new ATOM 0 HG12 ILE A 61 -7.198 2.711 -5.001 1.00 3.34 H new ATOM 0 HG13 ILE A 61 -7.543 4.361 -5.481 1.00 3.34 H new ATOM 0 HG21 ILE A 61 -6.071 1.790 -7.744 1.00 62.14 H new ATOM 0 HG22 ILE A 61 -4.378 2.272 -7.479 1.00 62.14 H new ATOM 0 HG23 ILE A 61 -5.278 1.437 -6.191 1.00 62.14 H new ATOM 0 HD11 ILE A 61 -9.251 2.826 -6.330 1.00 2.41 H new ATOM 0 HD12 ILE A 61 -8.354 3.567 -7.677 1.00 2.41 H new ATOM 0 HD13 ILE A 61 -8.004 1.891 -7.189 1.00 2.41 H new ATOM 968 N GLY A 62 -2.580 3.143 -5.765 1.00 55.23 N ATOM 969 CA GLY A 62 -1.229 3.147 -6.315 1.00 1.35 C ATOM 970 C GLY A 62 -0.411 1.919 -5.930 1.00 60.14 C ATOM 971 O GLY A 62 -0.966 0.882 -5.552 1.00 54.14 O ATOM 0 H GLY A 62 -2.804 2.339 -5.178 1.00 55.23 H new ATOM 0 HA2 GLY A 62 -1.288 3.208 -7.402 1.00 1.35 H new ATOM 0 HA3 GLY A 62 -0.709 4.042 -5.973 1.00 1.35 H new ATOM 975 N LEU A 63 0.913 2.039 -6.030 1.00 12.22 N ATOM 976 CA LEU A 63 1.830 0.940 -5.719 1.00 13.03 C ATOM 977 C LEU A 63 2.658 1.239 -4.461 1.00 0.14 C ATOM 978 O LEU A 63 2.789 2.390 -4.044 1.00 12.34 O ATOM 979 CB LEU A 63 2.777 0.683 -6.906 1.00 60.10 C ATOM 980 CG LEU A 63 2.105 0.239 -8.216 1.00 35.12 C ATOM 981 CD1 LEU A 63 3.128 0.133 -9.342 1.00 31.20 C ATOM 982 CD2 LEU A 63 1.380 -1.088 -8.029 1.00 22.20 C ATOM 0 H LEU A 63 1.379 2.896 -6.327 1.00 12.22 H new ATOM 0 HA LEU A 63 1.227 0.051 -5.532 1.00 13.03 H new ATOM 0 HB2 LEU A 63 3.341 1.595 -7.100 1.00 60.10 H new ATOM 0 HB3 LEU A 63 3.497 -0.081 -6.613 1.00 60.10 H new ATOM 0 HG LEU A 63 1.371 0.996 -8.491 1.00 35.12 H new ATOM 0 HD11 LEU A 63 2.629 -0.183 -10.258 1.00 31.20 H new ATOM 0 HD12 LEU A 63 3.597 1.104 -9.500 1.00 31.20 H new ATOM 0 HD13 LEU A 63 3.890 -0.599 -9.073 1.00 31.20 H new ATOM 0 HD21 LEU A 63 0.912 -1.383 -8.968 1.00 22.20 H new ATOM 0 HD22 LEU A 63 2.094 -1.853 -7.724 1.00 22.20 H new ATOM 0 HD23 LEU A 63 0.614 -0.979 -7.261 1.00 22.20 H new ATOM 994 N PHE A 64 3.195 0.190 -3.850 1.00 0.22 N ATOM 995 CA PHE A 64 4.127 0.334 -2.725 1.00 22.54 C ATOM 996 C PHE A 64 5.156 -0.815 -2.718 1.00 23.10 C ATOM 997 O PHE A 64 5.060 -1.753 -1.929 1.00 42.43 O ATOM 998 CB PHE A 64 3.368 0.431 -1.385 1.00 33.33 C ATOM 999 CG PHE A 64 2.256 -0.582 -1.207 1.00 30.21 C ATOM 1000 CD1 PHE A 64 1.007 -0.369 -1.782 1.00 71.50 C ATOM 1001 CD2 PHE A 64 2.452 -1.735 -0.459 1.00 12.25 C ATOM 1002 CE1 PHE A 64 -0.014 -1.285 -1.615 1.00 63.44 C ATOM 1003 CE2 PHE A 64 1.433 -2.651 -0.293 1.00 32.41 C ATOM 1004 CZ PHE A 64 0.199 -2.426 -0.870 1.00 12.13 C ATOM 0 H PHE A 64 3.003 -0.777 -4.112 1.00 0.22 H new ATOM 0 HA PHE A 64 4.676 1.267 -2.852 1.00 22.54 H new ATOM 0 HB2 PHE A 64 4.082 0.312 -0.570 1.00 33.33 H new ATOM 0 HB3 PHE A 64 2.946 1.432 -1.295 1.00 33.33 H new ATOM 0 HD1 PHE A 64 0.833 0.523 -2.366 1.00 71.50 H new ATOM 0 HD2 PHE A 64 3.413 -1.917 -0.002 1.00 12.25 H new ATOM 0 HE1 PHE A 64 -0.978 -1.108 -2.068 1.00 63.44 H new ATOM 0 HE2 PHE A 64 1.601 -3.545 0.289 1.00 32.41 H new ATOM 0 HZ PHE A 64 -0.598 -3.142 -0.738 1.00 12.13 H new ATOM 1014 N PRO A 65 6.164 -0.741 -3.616 1.00 41.54 N ATOM 1015 CA PRO A 65 7.150 -1.828 -3.822 1.00 61.21 C ATOM 1016 C PRO A 65 7.921 -2.216 -2.549 1.00 63.23 C ATOM 1017 O PRO A 65 8.294 -3.374 -2.365 1.00 34.21 O ATOM 1018 CB PRO A 65 8.107 -1.251 -4.883 1.00 10.15 C ATOM 1019 CG PRO A 65 7.880 0.225 -4.856 1.00 45.11 C ATOM 1020 CD PRO A 65 6.430 0.409 -4.500 1.00 33.42 C ATOM 0 HA PRO A 65 6.656 -2.752 -4.122 1.00 61.21 H new ATOM 0 HB2 PRO A 65 9.144 -1.494 -4.651 1.00 10.15 H new ATOM 0 HB3 PRO A 65 7.896 -1.664 -5.869 1.00 10.15 H new ATOM 0 HG2 PRO A 65 8.527 0.707 -4.123 1.00 45.11 H new ATOM 0 HG3 PRO A 65 8.105 0.673 -5.824 1.00 45.11 H new ATOM 0 HD2 PRO A 65 6.255 1.358 -3.993 1.00 33.42 H new ATOM 0 HD3 PRO A 65 5.792 0.397 -5.383 1.00 33.42 H new ATOM 1028 N SER A 66 8.163 -1.243 -1.673 1.00 21.12 N ATOM 1029 CA SER A 66 8.873 -1.498 -0.412 1.00 62.11 C ATOM 1030 C SER A 66 8.098 -2.479 0.489 1.00 73.20 C ATOM 1031 O SER A 66 8.687 -3.135 1.347 1.00 61.41 O ATOM 1032 CB SER A 66 9.125 -0.183 0.340 1.00 23.20 C ATOM 1033 OG SER A 66 9.921 0.710 -0.430 1.00 24.03 O ATOM 0 H SER A 66 7.881 -0.272 -1.808 1.00 21.12 H new ATOM 0 HA SER A 66 9.830 -1.956 -0.664 1.00 62.11 H new ATOM 0 HB2 SER A 66 8.172 0.290 0.579 1.00 23.20 H new ATOM 0 HB3 SER A 66 9.623 -0.393 1.287 1.00 23.20 H new ATOM 0 HG SER A 66 10.063 1.539 0.074 1.00 24.03 H new ATOM 1039 N ASN A 67 6.778 -2.572 0.278 1.00 50.45 N ATOM 1040 CA ASN A 67 5.903 -3.494 1.025 1.00 71.43 C ATOM 1041 C ASN A 67 6.139 -3.466 2.549 1.00 44.42 C ATOM 1042 O ASN A 67 6.797 -4.337 3.123 1.00 54.22 O ATOM 1043 CB ASN A 67 6.013 -4.920 0.472 1.00 41.42 C ATOM 1044 CG ASN A 67 5.301 -5.063 -0.864 1.00 1.31 C ATOM 1045 OD1 ASN A 67 4.300 -4.407 -1.119 1.00 23.13 O ATOM 1046 ND2 ASN A 67 5.812 -5.909 -1.725 1.00 25.21 N ATOM 0 H ASN A 67 6.284 -2.011 -0.416 1.00 50.45 H new ATOM 0 HA ASN A 67 4.884 -3.137 0.875 1.00 71.43 H new ATOM 0 HB2 ASN A 67 7.064 -5.184 0.354 1.00 41.42 H new ATOM 0 HB3 ASN A 67 5.586 -5.622 1.188 1.00 41.42 H new ATOM 0 HD21 ASN A 67 5.374 -6.035 -2.638 1.00 25.21 H new ATOM 0 HD22 ASN A 67 6.648 -6.441 -1.482 1.00 25.21 H new ATOM 1053 N PHE A 68 5.597 -2.432 3.181 1.00 11.21 N ATOM 1054 CA PHE A 68 5.635 -2.266 4.644 1.00 72.34 C ATOM 1055 C PHE A 68 4.301 -2.712 5.268 1.00 63.34 C ATOM 1056 O PHE A 68 3.894 -2.232 6.330 1.00 41.30 O ATOM 1057 CB PHE A 68 5.937 -0.789 4.988 1.00 22.12 C ATOM 1058 CG PHE A 68 5.767 0.143 3.813 1.00 11.34 C ATOM 1059 CD1 PHE A 68 4.505 0.431 3.313 1.00 4.31 C ATOM 1060 CD2 PHE A 68 6.870 0.704 3.189 1.00 45.53 C ATOM 1061 CE1 PHE A 68 4.352 1.254 2.218 1.00 4.45 C ATOM 1062 CE2 PHE A 68 6.720 1.533 2.097 1.00 21.54 C ATOM 1063 CZ PHE A 68 5.459 1.807 1.609 1.00 64.10 C ATOM 0 H PHE A 68 5.114 -1.675 2.697 1.00 11.21 H new ATOM 0 HA PHE A 68 6.425 -2.892 5.058 1.00 72.34 H new ATOM 0 HB2 PHE A 68 5.278 -0.469 5.795 1.00 22.12 H new ATOM 0 HB3 PHE A 68 6.959 -0.711 5.360 1.00 22.12 H new ATOM 0 HD1 PHE A 68 3.633 0.006 3.787 1.00 4.31 H new ATOM 0 HD2 PHE A 68 7.860 0.489 3.563 1.00 45.53 H new ATOM 0 HE1 PHE A 68 3.364 1.466 1.836 1.00 4.45 H new ATOM 0 HE2 PHE A 68 7.589 1.967 1.624 1.00 21.54 H new ATOM 0 HZ PHE A 68 5.339 2.453 0.752 1.00 64.10 H new ATOM 1073 N VAL A 69 3.637 -3.651 4.595 1.00 71.11 N ATOM 1074 CA VAL A 69 2.336 -4.174 5.028 1.00 51.14 C ATOM 1075 C VAL A 69 2.406 -5.690 5.279 1.00 15.13 C ATOM 1076 O VAL A 69 3.333 -6.361 4.823 1.00 24.11 O ATOM 1077 CB VAL A 69 1.245 -3.890 3.962 1.00 60.32 C ATOM 1078 CG1 VAL A 69 1.061 -2.387 3.759 1.00 23.44 C ATOM 1079 CG2 VAL A 69 1.592 -4.573 2.640 1.00 53.25 C ATOM 0 H VAL A 69 3.984 -4.073 3.733 1.00 71.11 H new ATOM 0 HA VAL A 69 2.076 -3.668 5.958 1.00 51.14 H new ATOM 0 HB VAL A 69 0.303 -4.302 4.324 1.00 60.32 H new ATOM 0 HG11 VAL A 69 0.291 -2.213 3.007 1.00 23.44 H new ATOM 0 HG12 VAL A 69 0.760 -1.927 4.700 1.00 23.44 H new ATOM 0 HG13 VAL A 69 2.001 -1.947 3.425 1.00 23.44 H new ATOM 0 HG21 VAL A 69 0.814 -4.361 1.906 1.00 53.25 H new ATOM 0 HG22 VAL A 69 2.547 -4.196 2.275 1.00 53.25 H new ATOM 0 HG23 VAL A 69 1.662 -5.650 2.794 1.00 53.25 H new ATOM 1089 N THR A 70 1.426 -6.228 5.999 1.00 34.43 N ATOM 1090 CA THR A 70 1.380 -7.671 6.281 1.00 22.32 C ATOM 1091 C THR A 70 -0.047 -8.153 6.567 1.00 1.03 C ATOM 1092 O THR A 70 -0.911 -7.375 6.978 1.00 64.14 O ATOM 1093 CB THR A 70 2.285 -8.045 7.482 1.00 22.24 C ATOM 1094 OG1 THR A 70 2.255 -9.463 7.711 1.00 64.41 O ATOM 1095 CG2 THR A 70 1.855 -7.315 8.752 1.00 31.50 C ATOM 0 H THR A 70 0.654 -5.695 6.399 1.00 34.43 H new ATOM 0 HA THR A 70 1.748 -8.167 5.383 1.00 22.32 H new ATOM 0 HB THR A 70 3.301 -7.738 7.234 1.00 22.24 H new ATOM 0 HG1 THR A 70 2.833 -9.684 8.471 1.00 64.41 H new ATOM 0 HG21 THR A 70 2.510 -7.600 9.575 1.00 31.50 H new ATOM 0 HG22 THR A 70 1.920 -6.239 8.593 1.00 31.50 H new ATOM 0 HG23 THR A 70 0.828 -7.585 8.996 1.00 31.50 H new ATOM 1103 N ALA A 71 -0.290 -9.443 6.338 1.00 12.53 N ATOM 1104 CA ALA A 71 -1.583 -10.057 6.646 1.00 72.54 C ATOM 1105 C ALA A 71 -1.556 -10.675 8.049 1.00 40.31 C ATOM 1106 O ALA A 71 -1.011 -11.764 8.247 1.00 23.10 O ATOM 1107 CB ALA A 71 -1.931 -11.112 5.600 1.00 42.44 C ATOM 0 H ALA A 71 0.394 -10.086 5.939 1.00 12.53 H new ATOM 0 HA ALA A 71 -2.352 -9.285 6.624 1.00 72.54 H new ATOM 0 HB1 ALA A 71 -2.895 -11.560 5.842 1.00 42.44 H new ATOM 0 HB2 ALA A 71 -1.984 -10.645 4.616 1.00 42.44 H new ATOM 0 HB3 ALA A 71 -1.163 -11.885 5.594 1.00 42.44 H new ATOM 1113 N ASP A 72 -2.127 -9.966 9.019 1.00 75.33 N ATOM 1114 CA ASP A 72 -2.088 -10.387 10.427 1.00 31.11 C ATOM 1115 C ASP A 72 -3.074 -11.543 10.731 1.00 22.12 C ATOM 1116 O ASP A 72 -2.609 -12.689 10.938 1.00 36.64 O ATOM 1117 CB ASP A 72 -2.344 -9.174 11.338 1.00 22.14 C ATOM 1118 CG ASP A 72 -3.590 -8.384 10.958 1.00 21.30 C ATOM 1119 OD1 ASP A 72 -3.594 -7.744 9.884 1.00 3.35 O ATOM 1120 OD2 ASP A 72 -4.568 -8.394 11.734 1.00 14.01 O ATOM 1121 OXT ASP A 72 -4.300 -11.309 10.746 1.00 36.64 O ATOM 0 H ASP A 72 -2.627 -9.091 8.860 1.00 75.33 H new ATOM 0 HA ASP A 72 -1.093 -10.782 10.630 1.00 31.11 H new ATOM 0 HB2 ASP A 72 -2.440 -9.517 12.368 1.00 22.14 H new ATOM 0 HB3 ASP A 72 -1.478 -8.513 11.302 1.00 22.14 H new TER 1126 ASP A 72