USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 68 THR OG1 : rot -72:sc= 0.614 USER MOD Set 1.2: A 70 MET CE :methyl -160:sc= -0.167 (180deg=-0.695) USER MOD Set 2.1: A 11 TYR OH : rot 15:sc= 0.781 USER MOD Set 2.2: A 15 HIS : no HD1:sc= -0.119 X(o=1.6,f=1.3) USER MOD Set 2.3: A 25 SER OG : rot -140:sc= 0.96 USER MOD Single : A 1 MET CE :methyl -120:sc= -0.674 (180deg=-1.87) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.803 (180deg=-0.253) USER MOD Single : A 3 ASN : amide:sc= -0.461 K(o=-0.46,f=-2.1!) USER MOD Single : A 9 CYS SG : rot 71:sc= 0.512 USER MOD Single : A 10 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.48) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0539 USER MOD Single : A 20 ASN : amide:sc= -0.0557 X(o=-0.056,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.28 K(o=-0.28,f=-1.2) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.045) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -1.25 K(o=-1.2,f=-4.2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0857 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0415 USER MOD Single : A 56 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.39) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.0093) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -14:sc= 1 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0212 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 84 GLN : amide:sc= -2.37 K(o=-2.4,f=-4.1!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 78:sc= 0.563 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 180:sc= -0.132 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0894 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 25:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.070 -0.081 -0.042 1.00 0.00 N ATOM 2 CA MET A 1 2.475 0.571 -1.203 1.00 0.00 C ATOM 3 C MET A 1 1.727 -0.438 -2.068 1.00 0.00 C ATOM 4 O MET A 1 1.612 -1.611 -1.712 1.00 0.00 O ATOM 5 CB MET A 1 3.555 1.269 -2.031 1.00 0.00 C ATOM 6 CG MET A 1 4.748 0.382 -2.346 1.00 0.00 C ATOM 7 SD MET A 1 6.075 0.547 -1.135 1.00 0.00 S ATOM 8 CE MET A 1 6.572 2.246 -1.407 1.00 0.00 C ATOM 0 H1 MET A 1 2.623 0.279 0.825 1.00 0.00 H new ATOM 0 H2 MET A 1 2.922 -1.108 -0.107 1.00 0.00 H new ATOM 0 H3 MET A 1 4.090 0.121 -0.015 1.00 0.00 H new ATOM 0 HA MET A 1 1.763 1.315 -0.846 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.116 1.618 -2.965 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.901 2.151 -1.492 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.423 -0.658 -2.384 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.131 0.632 -3.335 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.620 2.275 -1.705 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.958 2.683 -2.195 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.441 2.815 -0.487 1.00 0.00 H new ATOM 18 N ASP A 2 1.220 0.026 -3.205 1.00 0.00 N ATOM 19 CA ASP A 2 0.482 -0.836 -4.122 1.00 0.00 C ATOM 20 C ASP A 2 1.437 -1.692 -4.948 1.00 0.00 C ATOM 21 O ASP A 2 2.552 -1.274 -5.257 1.00 0.00 O ATOM 22 CB ASP A 2 -0.400 0.003 -5.046 1.00 0.00 C ATOM 23 CG ASP A 2 -1.229 -0.849 -5.987 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.660 -1.946 -5.571 1.00 0.00 O ATOM 25 OD2 ASP A 2 -1.447 -0.421 -7.139 1.00 0.00 O ATOM 0 H ASP A 2 1.306 0.994 -3.514 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.152 -1.497 -3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.063 0.625 -4.444 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.228 0.677 -5.629 1.00 0.00 H new ATOM 30 N ASN A 3 0.991 -2.893 -5.302 1.00 0.00 N ATOM 31 CA ASN A 3 1.806 -3.810 -6.091 1.00 0.00 C ATOM 32 C ASN A 3 2.291 -3.139 -7.373 1.00 0.00 C ATOM 33 O ASN A 3 3.463 -3.245 -7.735 1.00 0.00 O ATOM 34 CB ASN A 3 1.009 -5.070 -6.432 1.00 0.00 C ATOM 35 CG ASN A 3 1.740 -5.970 -7.409 1.00 0.00 C ATOM 36 OD1 ASN A 3 1.902 -5.631 -8.581 1.00 0.00 O ATOM 37 ND2 ASN A 3 2.186 -7.125 -6.929 1.00 0.00 N ATOM 0 H ASN A 3 0.070 -3.254 -5.055 1.00 0.00 H new ATOM 0 HA ASN A 3 2.675 -4.089 -5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.802 -5.624 -5.517 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.046 -4.784 -6.856 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.686 -7.772 -7.539 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.029 -7.365 -5.950 1.00 0.00 H new ATOM 44 N ARG A 4 1.383 -2.449 -8.054 1.00 0.00 N ATOM 45 CA ARG A 4 1.718 -1.762 -9.295 1.00 0.00 C ATOM 46 C ARG A 4 2.789 -0.701 -9.057 1.00 0.00 C ATOM 47 O ARG A 4 3.728 -0.566 -9.841 1.00 0.00 O ATOM 48 CB ARG A 4 0.469 -1.115 -9.898 1.00 0.00 C ATOM 49 CG ARG A 4 -0.379 -2.075 -10.717 1.00 0.00 C ATOM 50 CD ARG A 4 -1.686 -1.430 -11.153 1.00 0.00 C ATOM 51 NE ARG A 4 -2.649 -1.350 -10.057 1.00 0.00 N ATOM 52 CZ ARG A 4 -3.758 -0.622 -10.106 1.00 0.00 C ATOM 53 NH1 ARG A 4 -4.043 0.086 -11.191 1.00 0.00 N ATOM 54 NH2 ARG A 4 -4.585 -0.600 -9.069 1.00 0.00 N ATOM 0 H ARG A 4 0.409 -2.351 -7.767 1.00 0.00 H new ATOM 0 HA ARG A 4 2.111 -2.500 -9.995 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.140 -0.701 -9.094 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.772 -0.281 -10.531 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.180 -2.397 -11.596 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.591 -2.968 -10.129 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.487 -0.429 -11.534 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.117 -2.003 -11.974 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.459 -1.882 -9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.409 0.072 -11.990 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.896 0.645 -11.226 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.369 -1.143 -8.233 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.437 -0.040 -9.108 1.00 0.00 H new ATOM 68 N VAL A 5 2.640 0.050 -7.971 1.00 0.00 N ATOM 69 CA VAL A 5 3.594 1.098 -7.629 1.00 0.00 C ATOM 70 C VAL A 5 4.942 0.506 -7.234 1.00 0.00 C ATOM 71 O VAL A 5 5.993 1.056 -7.563 1.00 0.00 O ATOM 72 CB VAL A 5 3.074 1.976 -6.476 1.00 0.00 C ATOM 73 CG1 VAL A 5 4.100 3.036 -6.107 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.745 2.616 -6.851 1.00 0.00 C ATOM 0 H VAL A 5 1.867 -0.048 -7.312 1.00 0.00 H new ATOM 0 HA VAL A 5 3.718 1.716 -8.519 1.00 0.00 H new ATOM 0 HB VAL A 5 2.913 1.342 -5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.715 3.647 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.025 2.553 -5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.296 3.669 -6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.392 3.233 -6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.877 3.237 -7.737 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.012 1.837 -7.061 1.00 0.00 H new ATOM 84 N ARG A 6 4.904 -0.619 -6.527 1.00 0.00 N ATOM 85 CA ARG A 6 6.124 -1.285 -6.086 1.00 0.00 C ATOM 86 C ARG A 6 7.051 -1.559 -7.267 1.00 0.00 C ATOM 87 O ARG A 6 8.273 -1.506 -7.133 1.00 0.00 O ATOM 88 CB ARG A 6 5.785 -2.597 -5.376 1.00 0.00 C ATOM 89 CG ARG A 6 6.248 -2.643 -3.929 1.00 0.00 C ATOM 90 CD ARG A 6 5.122 -3.063 -2.997 1.00 0.00 C ATOM 91 NE ARG A 6 4.990 -4.515 -2.917 1.00 0.00 N ATOM 92 CZ ARG A 6 3.924 -5.130 -2.417 1.00 0.00 C ATOM 93 NH1 ARG A 6 2.903 -4.422 -1.954 1.00 0.00 N ATOM 94 NH2 ARG A 6 3.878 -6.455 -2.378 1.00 0.00 N ATOM 0 H ARG A 6 4.042 -1.088 -6.248 1.00 0.00 H new ATOM 0 HA ARG A 6 6.638 -0.624 -5.388 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.706 -2.750 -5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.241 -3.424 -5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.080 -3.341 -3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.620 -1.662 -3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.307 -2.661 -2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.183 -2.632 -3.346 1.00 0.00 H new ATOM 0 HE ARG A 6 5.759 -5.089 -3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.935 -3.403 -1.981 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.086 -4.896 -1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.662 -7.003 -2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.059 -6.926 -1.994 1.00 0.00 H new ATOM 108 N GLU A 7 6.460 -1.852 -8.421 1.00 0.00 N ATOM 109 CA GLU A 7 7.234 -2.135 -9.624 1.00 0.00 C ATOM 110 C GLU A 7 8.068 -0.924 -10.033 1.00 0.00 C ATOM 111 O GLU A 7 9.208 -1.062 -10.474 1.00 0.00 O ATOM 112 CB GLU A 7 6.306 -2.539 -10.771 1.00 0.00 C ATOM 113 CG GLU A 7 6.915 -3.562 -11.716 1.00 0.00 C ATOM 114 CD GLU A 7 7.207 -4.884 -11.034 1.00 0.00 C ATOM 115 OE1 GLU A 7 6.328 -5.379 -10.298 1.00 0.00 O ATOM 116 OE2 GLU A 7 8.315 -5.424 -11.235 1.00 0.00 O ATOM 0 H GLU A 7 5.449 -1.900 -8.548 1.00 0.00 H new ATOM 0 HA GLU A 7 7.909 -2.962 -9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.384 -2.945 -10.355 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.035 -1.649 -11.339 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.235 -3.730 -12.551 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.839 -3.161 -12.134 1.00 0.00 H new ATOM 123 N ALA A 8 7.489 0.263 -9.882 1.00 0.00 N ATOM 124 CA ALA A 8 8.178 1.499 -10.233 1.00 0.00 C ATOM 125 C ALA A 8 9.471 1.651 -9.439 1.00 0.00 C ATOM 126 O ALA A 8 10.466 2.169 -9.948 1.00 0.00 O ATOM 127 CB ALA A 8 7.268 2.695 -9.999 1.00 0.00 C ATOM 0 H ALA A 8 6.545 0.395 -9.519 1.00 0.00 H new ATOM 0 HA ALA A 8 8.436 1.455 -11.291 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.795 3.611 -10.265 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.374 2.598 -10.616 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.981 2.734 -8.948 1.00 0.00 H new ATOM 133 N CYS A 9 9.450 1.198 -8.191 1.00 0.00 N ATOM 134 CA CYS A 9 10.621 1.286 -7.325 1.00 0.00 C ATOM 135 C CYS A 9 11.805 0.544 -7.937 1.00 0.00 C ATOM 136 O CYS A 9 12.955 0.951 -7.774 1.00 0.00 O ATOM 137 CB CYS A 9 10.303 0.713 -5.943 1.00 0.00 C ATOM 138 SG CYS A 9 11.743 0.560 -4.859 1.00 0.00 S ATOM 0 H CYS A 9 8.635 0.766 -7.755 1.00 0.00 H new ATOM 0 HA CYS A 9 10.888 2.338 -7.221 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.563 1.350 -5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.847 -0.270 -6.065 1.00 0.00 H new ATOM 0 HG CYS A 9 12.134 1.743 -4.487 1.00 0.00 H new ATOM 144 N GLN A 10 11.515 -0.547 -8.639 1.00 0.00 N ATOM 145 CA GLN A 10 12.557 -1.346 -9.272 1.00 0.00 C ATOM 146 C GLN A 10 13.308 -0.530 -10.319 1.00 0.00 C ATOM 147 O GLN A 10 14.538 -0.551 -10.372 1.00 0.00 O ATOM 148 CB GLN A 10 11.951 -2.593 -9.918 1.00 0.00 C ATOM 149 CG GLN A 10 12.943 -3.732 -10.091 1.00 0.00 C ATOM 150 CD GLN A 10 13.526 -4.203 -8.773 1.00 0.00 C ATOM 151 OE1 GLN A 10 12.811 -4.344 -7.780 1.00 0.00 O ATOM 152 NE2 GLN A 10 14.830 -4.450 -8.757 1.00 0.00 N ATOM 0 H GLN A 10 10.568 -0.897 -8.783 1.00 0.00 H new ATOM 0 HA GLN A 10 13.264 -1.652 -8.501 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.116 -2.939 -9.308 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.544 -2.326 -10.893 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.448 -4.568 -10.584 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.751 -3.408 -10.747 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.384 -4.320 -9.603 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.278 -4.770 -7.898 1.00 0.00 H new ATOM 161 N TYR A 11 12.561 0.186 -11.152 1.00 0.00 N ATOM 162 CA TYR A 11 13.156 1.006 -12.200 1.00 0.00 C ATOM 163 C TYR A 11 13.881 2.209 -11.604 1.00 0.00 C ATOM 164 O TYR A 11 15.027 2.494 -11.955 1.00 0.00 O ATOM 165 CB TYR A 11 12.080 1.479 -13.179 1.00 0.00 C ATOM 166 CG TYR A 11 12.578 2.496 -14.181 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.545 2.159 -15.121 1.00 0.00 C ATOM 168 CD2 TYR A 11 12.081 3.794 -14.189 1.00 0.00 C ATOM 169 CE1 TYR A 11 14.003 3.086 -16.037 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.533 4.726 -15.103 1.00 0.00 C ATOM 171 CZ TYR A 11 13.494 4.367 -16.025 1.00 0.00 C ATOM 172 OH TYR A 11 13.947 5.293 -16.937 1.00 0.00 O ATOM 0 H TYR A 11 11.542 0.215 -11.122 1.00 0.00 H new ATOM 0 HA TYR A 11 13.882 0.395 -12.736 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.684 0.617 -13.715 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.253 1.911 -12.616 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.945 1.156 -15.135 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.329 4.079 -13.468 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.756 2.808 -16.759 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.136 5.730 -15.096 1.00 0.00 H new ATOM 0 HH TYR A 11 14.433 4.835 -17.655 1.00 0.00 H new ATOM 182 N ILE A 12 13.206 2.911 -10.701 1.00 0.00 N ATOM 183 CA ILE A 12 13.785 4.082 -10.054 1.00 0.00 C ATOM 184 C ILE A 12 15.037 3.712 -9.266 1.00 0.00 C ATOM 185 O ILE A 12 15.998 4.479 -9.211 1.00 0.00 O ATOM 186 CB ILE A 12 12.777 4.759 -9.107 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.535 5.204 -9.882 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.423 5.944 -8.406 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.479 5.849 -9.013 1.00 0.00 C ATOM 0 H ILE A 12 12.257 2.689 -10.400 1.00 0.00 H new ATOM 0 HA ILE A 12 14.051 4.781 -10.847 1.00 0.00 H new ATOM 0 HB ILE A 12 12.470 4.037 -8.350 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.834 5.908 -10.659 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.102 4.340 -10.385 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.698 6.412 -7.740 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.280 5.601 -7.826 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.755 6.669 -9.149 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.628 6.139 -9.629 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.151 5.141 -8.252 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.895 6.733 -8.530 1.00 0.00 H new ATOM 201 N SER A 13 15.019 2.530 -8.658 1.00 0.00 N ATOM 202 CA SER A 13 16.152 2.058 -7.871 1.00 0.00 C ATOM 203 C SER A 13 17.374 1.836 -8.757 1.00 0.00 C ATOM 204 O SER A 13 18.495 2.180 -8.384 1.00 0.00 O ATOM 205 CB SER A 13 15.790 0.761 -7.145 1.00 0.00 C ATOM 206 OG SER A 13 16.955 0.063 -6.739 1.00 0.00 O ATOM 0 H SER A 13 14.232 1.882 -8.695 1.00 0.00 H new ATOM 0 HA SER A 13 16.395 2.823 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.175 0.987 -6.274 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.193 0.128 -7.801 1.00 0.00 H new ATOM 0 HG SER A 13 16.698 -0.762 -6.276 1.00 0.00 H new ATOM 212 N ASP A 14 17.148 1.258 -9.931 1.00 0.00 N ATOM 213 CA ASP A 14 18.229 0.990 -10.872 1.00 0.00 C ATOM 214 C ASP A 14 18.818 2.291 -11.408 1.00 0.00 C ATOM 215 O ASP A 14 19.981 2.338 -11.812 1.00 0.00 O ATOM 216 CB ASP A 14 17.724 0.129 -12.031 1.00 0.00 C ATOM 217 CG ASP A 14 18.798 -0.135 -13.067 1.00 0.00 C ATOM 218 OD1 ASP A 14 19.927 -0.496 -12.673 1.00 0.00 O ATOM 219 OD2 ASP A 14 18.510 0.018 -14.273 1.00 0.00 O ATOM 0 H ASP A 14 16.226 0.966 -10.254 1.00 0.00 H new ATOM 0 HA ASP A 14 19.012 0.448 -10.342 1.00 0.00 H new ATOM 0 HB2 ASP A 14 17.358 -0.821 -11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 14 16.878 0.625 -12.507 1.00 0.00 H new ATOM 224 N HIS A 15 18.009 3.345 -11.409 1.00 0.00 N ATOM 225 CA HIS A 15 18.450 4.647 -11.896 1.00 0.00 C ATOM 226 C HIS A 15 18.682 5.611 -10.736 1.00 0.00 C ATOM 227 O HIS A 15 18.735 6.827 -10.927 1.00 0.00 O ATOM 228 CB HIS A 15 17.417 5.231 -12.861 1.00 0.00 C ATOM 229 CG HIS A 15 17.360 4.523 -14.179 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.404 5.181 -15.390 1.00 0.00 N ATOM 231 CD2 HIS A 15 17.264 3.205 -14.472 1.00 0.00 C ATOM 232 CE1 HIS A 15 17.336 4.298 -16.371 1.00 0.00 C ATOM 233 NE2 HIS A 15 17.251 3.092 -15.840 1.00 0.00 N ATOM 0 H HIS A 15 17.044 3.323 -11.078 1.00 0.00 H new ATOM 0 HA HIS A 15 19.393 4.509 -12.425 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.433 5.191 -12.394 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.646 6.283 -13.033 1.00 0.00 H new ATOM 0 HD2 HIS A 15 17.208 2.393 -13.762 1.00 0.00 H new ATOM 0 HE1 HIS A 15 17.348 4.524 -17.427 1.00 0.00 H new ATOM 0 HE2 HIS A 15 17.186 2.218 -16.362 1.00 0.00 H new ATOM 241 N LEU A 16 18.820 5.061 -9.535 1.00 0.00 N ATOM 242 CA LEU A 16 19.046 5.871 -8.344 1.00 0.00 C ATOM 243 C LEU A 16 20.314 6.707 -8.486 1.00 0.00 C ATOM 244 O LEU A 16 20.444 7.764 -7.870 1.00 0.00 O ATOM 245 CB LEU A 16 19.147 4.977 -7.106 1.00 0.00 C ATOM 246 CG LEU A 16 19.056 5.688 -5.756 1.00 0.00 C ATOM 247 CD1 LEU A 16 17.603 5.884 -5.353 1.00 0.00 C ATOM 248 CD2 LEU A 16 19.806 4.904 -4.689 1.00 0.00 C ATOM 0 H LEU A 16 18.779 4.057 -9.360 1.00 0.00 H new ATOM 0 HA LEU A 16 18.198 6.547 -8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.354 4.231 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.094 4.439 -7.147 1.00 0.00 H new ATOM 0 HG LEU A 16 19.521 6.669 -5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 16 17.558 6.392 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.095 6.487 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 16 17.113 4.913 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 16 19.731 5.425 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 16 19.371 3.909 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 16 20.855 4.816 -4.972 1.00 0.00 H new ATOM 260 N ALA A 17 21.244 6.226 -9.304 1.00 0.00 N ATOM 261 CA ALA A 17 22.500 6.931 -9.531 1.00 0.00 C ATOM 262 C ALA A 17 22.403 7.847 -10.746 1.00 0.00 C ATOM 263 O ALA A 17 23.181 8.791 -10.887 1.00 0.00 O ATOM 264 CB ALA A 17 23.639 5.937 -9.706 1.00 0.00 C ATOM 0 H ALA A 17 21.152 5.351 -9.821 1.00 0.00 H new ATOM 0 HA ALA A 17 22.704 7.550 -8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.571 6.477 -9.875 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.731 5.327 -8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.432 5.294 -10.561 1.00 0.00 H new ATOM 270 N ASP A 18 21.445 7.563 -11.621 1.00 0.00 N ATOM 271 CA ASP A 18 21.246 8.362 -12.825 1.00 0.00 C ATOM 272 C ASP A 18 20.858 9.793 -12.468 1.00 0.00 C ATOM 273 O ASP A 18 20.160 10.031 -11.483 1.00 0.00 O ATOM 274 CB ASP A 18 20.168 7.733 -13.708 1.00 0.00 C ATOM 275 CG ASP A 18 20.317 8.119 -15.167 1.00 0.00 C ATOM 276 OD1 ASP A 18 21.042 7.412 -15.897 1.00 0.00 O ATOM 277 OD2 ASP A 18 19.708 9.130 -15.578 1.00 0.00 O ATOM 0 H ASP A 18 20.793 6.785 -11.519 1.00 0.00 H new ATOM 0 HA ASP A 18 22.186 8.386 -13.376 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.214 6.648 -13.616 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.185 8.042 -13.352 1.00 0.00 H new ATOM 282 N SER A 19 21.316 10.744 -13.277 1.00 0.00 N ATOM 283 CA SER A 19 21.020 12.153 -13.044 1.00 0.00 C ATOM 284 C SER A 19 19.642 12.516 -13.590 1.00 0.00 C ATOM 285 O SER A 19 18.824 13.112 -12.891 1.00 0.00 O ATOM 286 CB SER A 19 22.088 13.034 -13.695 1.00 0.00 C ATOM 287 OG SER A 19 22.530 12.478 -14.921 1.00 0.00 O ATOM 0 H SER A 19 21.893 10.564 -14.099 1.00 0.00 H new ATOM 0 HA SER A 19 21.022 12.327 -11.968 1.00 0.00 H new ATOM 0 HB2 SER A 19 21.684 14.031 -13.869 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.934 13.146 -13.017 1.00 0.00 H new ATOM 0 HG SER A 19 23.211 13.061 -15.318 1.00 0.00 H new ATOM 293 N ASN A 20 19.395 12.152 -14.844 1.00 0.00 N ATOM 294 CA ASN A 20 18.117 12.440 -15.485 1.00 0.00 C ATOM 295 C ASN A 20 17.031 11.492 -14.983 1.00 0.00 C ATOM 296 O ASN A 20 17.003 10.315 -15.346 1.00 0.00 O ATOM 297 CB ASN A 20 18.248 12.325 -17.005 1.00 0.00 C ATOM 298 CG ASN A 20 17.188 13.123 -17.739 1.00 0.00 C ATOM 299 OD1 ASN A 20 16.367 12.565 -18.466 1.00 0.00 O ATOM 300 ND2 ASN A 20 17.202 14.438 -17.550 1.00 0.00 N ATOM 0 H ASN A 20 20.062 11.657 -15.436 1.00 0.00 H new ATOM 0 HA ASN A 20 17.831 13.460 -15.228 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.236 12.672 -17.309 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.175 11.277 -17.295 1.00 0.00 H new ATOM 0 HD21 ASN A 20 16.513 15.028 -18.017 1.00 0.00 H new ATOM 0 HD22 ASN A 20 17.902 14.858 -16.938 1.00 0.00 H new ATOM 307 N PHE A 21 16.138 12.013 -14.148 1.00 0.00 N ATOM 308 CA PHE A 21 15.050 11.213 -13.597 1.00 0.00 C ATOM 309 C PHE A 21 13.695 11.772 -14.020 1.00 0.00 C ATOM 310 O PHE A 21 13.279 12.836 -13.561 1.00 0.00 O ATOM 311 CB PHE A 21 15.143 11.172 -12.070 1.00 0.00 C ATOM 312 CG PHE A 21 14.012 10.427 -11.420 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.574 9.218 -11.937 1.00 0.00 C ATOM 314 CD2 PHE A 21 13.387 10.935 -10.293 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.533 8.531 -11.342 1.00 0.00 C ATOM 316 CE2 PHE A 21 12.346 10.252 -9.693 1.00 0.00 C ATOM 317 CZ PHE A 21 11.919 9.048 -10.218 1.00 0.00 C ATOM 0 H PHE A 21 16.146 12.985 -13.838 1.00 0.00 H new ATOM 0 HA PHE A 21 15.143 10.200 -13.988 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.086 10.706 -11.784 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.162 12.193 -11.688 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.052 8.808 -12.815 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.717 11.876 -9.878 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.200 7.591 -11.756 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.867 10.659 -8.815 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.106 8.512 -9.750 1.00 0.00 H new ATOM 327 N ASP A 22 13.012 11.048 -14.900 1.00 0.00 N ATOM 328 CA ASP A 22 11.704 11.470 -15.387 1.00 0.00 C ATOM 329 C ASP A 22 10.625 10.473 -14.978 1.00 0.00 C ATOM 330 O ASP A 22 10.791 9.263 -15.138 1.00 0.00 O ATOM 331 CB ASP A 22 11.727 11.622 -16.908 1.00 0.00 C ATOM 332 CG ASP A 22 11.485 10.308 -17.625 1.00 0.00 C ATOM 333 OD1 ASP A 22 12.254 9.353 -17.389 1.00 0.00 O ATOM 334 OD2 ASP A 22 10.526 10.235 -18.421 1.00 0.00 O ATOM 0 H ASP A 22 13.343 10.166 -15.291 1.00 0.00 H new ATOM 0 HA ASP A 22 11.470 12.435 -14.938 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.967 12.343 -17.210 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.691 12.028 -17.215 1.00 0.00 H new ATOM 339 N ILE A 23 9.520 10.988 -14.450 1.00 0.00 N ATOM 340 CA ILE A 23 8.413 10.142 -14.020 1.00 0.00 C ATOM 341 C ILE A 23 7.713 9.503 -15.214 1.00 0.00 C ATOM 342 O ILE A 23 7.058 8.469 -15.082 1.00 0.00 O ATOM 343 CB ILE A 23 7.382 10.938 -13.199 1.00 0.00 C ATOM 344 CG1 ILE A 23 6.338 9.995 -12.598 1.00 0.00 C ATOM 345 CG2 ILE A 23 6.713 11.992 -14.070 1.00 0.00 C ATOM 346 CD1 ILE A 23 5.806 10.457 -11.260 1.00 0.00 C ATOM 0 H ILE A 23 9.367 11.987 -14.310 1.00 0.00 H new ATOM 0 HA ILE A 23 8.839 9.360 -13.392 1.00 0.00 H new ATOM 0 HB ILE A 23 7.900 11.443 -12.383 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.506 9.895 -13.296 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.778 9.005 -12.482 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.987 12.547 -13.476 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.467 12.678 -14.455 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.205 11.506 -14.903 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.071 9.741 -10.894 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.628 10.530 -10.547 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.336 11.434 -11.373 1.00 0.00 H new ATOM 358 N ALA A 24 7.857 10.124 -16.380 1.00 0.00 N ATOM 359 CA ALA A 24 7.242 9.613 -17.598 1.00 0.00 C ATOM 360 C ALA A 24 7.720 8.198 -17.904 1.00 0.00 C ATOM 361 O ALA A 24 6.923 7.323 -18.241 1.00 0.00 O ATOM 362 CB ALA A 24 7.543 10.538 -18.769 1.00 0.00 C ATOM 0 H ALA A 24 8.394 10.982 -16.506 1.00 0.00 H new ATOM 0 HA ALA A 24 6.164 9.578 -17.443 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.078 10.144 -19.673 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.146 11.531 -18.559 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.621 10.602 -18.915 1.00 0.00 H new ATOM 368 N SER A 25 9.025 7.980 -17.783 1.00 0.00 N ATOM 369 CA SER A 25 9.610 6.671 -18.051 1.00 0.00 C ATOM 370 C SER A 25 9.172 5.656 -17.000 1.00 0.00 C ATOM 371 O SER A 25 9.041 4.465 -17.287 1.00 0.00 O ATOM 372 CB SER A 25 11.137 6.767 -18.079 1.00 0.00 C ATOM 373 OG SER A 25 11.711 5.601 -18.643 1.00 0.00 O ATOM 0 H SER A 25 9.698 8.693 -17.501 1.00 0.00 H new ATOM 0 HA SER A 25 9.257 6.335 -19.026 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.439 7.641 -18.657 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.514 6.908 -17.066 1.00 0.00 H new ATOM 0 HG SER A 25 12.512 5.352 -18.135 1.00 0.00 H new ATOM 379 N VAL A 26 8.947 6.135 -15.781 1.00 0.00 N ATOM 380 CA VAL A 26 8.523 5.270 -14.686 1.00 0.00 C ATOM 381 C VAL A 26 7.096 4.776 -14.897 1.00 0.00 C ATOM 382 O VAL A 26 6.793 3.606 -14.665 1.00 0.00 O ATOM 383 CB VAL A 26 8.607 5.998 -13.331 1.00 0.00 C ATOM 384 CG1 VAL A 26 8.317 5.036 -12.189 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.972 6.647 -13.159 1.00 0.00 C ATOM 0 H VAL A 26 9.051 7.117 -15.527 1.00 0.00 H new ATOM 0 HA VAL A 26 9.202 4.417 -14.675 1.00 0.00 H new ATOM 0 HB VAL A 26 7.852 6.784 -13.313 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.381 5.568 -11.240 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.315 4.623 -12.307 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.047 4.226 -12.201 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.014 7.157 -12.196 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.747 5.881 -13.198 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.135 7.369 -13.959 1.00 0.00 H new ATOM 395 N ALA A 27 6.224 5.675 -15.340 1.00 0.00 N ATOM 396 CA ALA A 27 4.829 5.330 -15.586 1.00 0.00 C ATOM 397 C ALA A 27 4.702 4.354 -16.750 1.00 0.00 C ATOM 398 O ALA A 27 3.922 3.403 -16.692 1.00 0.00 O ATOM 399 CB ALA A 27 4.014 6.586 -15.856 1.00 0.00 C ATOM 0 H ALA A 27 6.459 6.648 -15.536 1.00 0.00 H new ATOM 0 HA ALA A 27 4.438 4.842 -14.693 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.975 6.313 -16.038 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.069 7.248 -14.992 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.413 7.098 -16.732 1.00 0.00 H new ATOM 405 N GLN A 28 5.473 4.595 -17.806 1.00 0.00 N ATOM 406 CA GLN A 28 5.444 3.737 -18.984 1.00 0.00 C ATOM 407 C GLN A 28 5.860 2.313 -18.630 1.00 0.00 C ATOM 408 O GLN A 28 5.319 1.346 -19.167 1.00 0.00 O ATOM 409 CB GLN A 28 6.366 4.295 -20.070 1.00 0.00 C ATOM 410 CG GLN A 28 6.435 3.426 -21.315 1.00 0.00 C ATOM 411 CD GLN A 28 7.167 4.101 -22.458 1.00 0.00 C ATOM 412 OE1 GLN A 28 8.301 4.556 -22.302 1.00 0.00 O ATOM 413 NE2 GLN A 28 6.522 4.171 -23.616 1.00 0.00 N ATOM 0 H GLN A 28 6.125 5.377 -17.869 1.00 0.00 H new ATOM 0 HA GLN A 28 4.422 3.715 -19.361 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.022 5.291 -20.351 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.370 4.408 -19.660 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.935 2.488 -21.072 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.424 3.174 -21.634 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.583 3.781 -23.701 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.965 4.615 -24.420 1.00 0.00 H new ATOM 422 N HIS A 29 6.825 2.191 -17.724 1.00 0.00 N ATOM 423 CA HIS A 29 7.313 0.884 -17.298 1.00 0.00 C ATOM 424 C HIS A 29 6.177 0.038 -16.731 1.00 0.00 C ATOM 425 O HIS A 29 6.156 -1.182 -16.896 1.00 0.00 O ATOM 426 CB HIS A 29 8.417 1.045 -16.252 1.00 0.00 C ATOM 427 CG HIS A 29 8.776 -0.234 -15.559 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.854 -1.447 -16.210 1.00 0.00 N ATOM 429 CD2 HIS A 29 9.080 -0.483 -14.264 1.00 0.00 C ATOM 430 CE1 HIS A 29 9.189 -2.387 -15.345 1.00 0.00 C ATOM 431 NE2 HIS A 29 9.333 -1.829 -14.157 1.00 0.00 N ATOM 0 H HIS A 29 7.284 2.981 -17.271 1.00 0.00 H new ATOM 0 HA HIS A 29 7.721 0.374 -18.170 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.307 1.450 -16.734 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.098 1.775 -15.508 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.117 0.241 -13.464 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.323 -3.435 -15.571 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.590 -2.318 -13.299 1.00 0.00 H new ATOM 439 N VAL A 30 5.236 0.694 -16.060 1.00 0.00 N ATOM 440 CA VAL A 30 4.096 0.002 -15.468 1.00 0.00 C ATOM 441 C VAL A 30 2.870 0.093 -16.369 1.00 0.00 C ATOM 442 O VAL A 30 1.739 -0.088 -15.916 1.00 0.00 O ATOM 443 CB VAL A 30 3.747 0.579 -14.084 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.913 0.407 -13.123 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.354 2.044 -14.201 1.00 0.00 C ATOM 0 H VAL A 30 5.240 1.703 -15.912 1.00 0.00 H new ATOM 0 HA VAL A 30 4.383 -1.043 -15.355 1.00 0.00 H new ATOM 0 HB VAL A 30 2.895 0.028 -13.685 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.647 0.821 -12.150 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.143 -0.653 -13.016 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.786 0.930 -13.513 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.111 2.435 -13.213 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.185 2.611 -14.621 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.485 2.137 -14.852 1.00 0.00 H new ATOM 455 N CYS A 31 3.101 0.373 -17.647 1.00 0.00 N ATOM 456 CA CYS A 31 2.014 0.489 -18.613 1.00 0.00 C ATOM 457 C CYS A 31 0.936 1.442 -18.108 1.00 0.00 C ATOM 458 O CYS A 31 -0.255 1.222 -18.328 1.00 0.00 O ATOM 459 CB CYS A 31 1.405 -0.886 -18.893 1.00 0.00 C ATOM 460 SG CYS A 31 2.601 -2.123 -19.449 1.00 0.00 S ATOM 0 H CYS A 31 4.031 0.524 -18.038 1.00 0.00 H new ATOM 0 HA CYS A 31 2.425 0.893 -19.538 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.919 -1.248 -17.987 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.629 -0.780 -19.651 1.00 0.00 H new ATOM 0 HG CYS A 31 1.992 -3.252 -19.658 1.00 0.00 H new ATOM 466 N LEU A 32 1.362 2.501 -17.428 1.00 0.00 N ATOM 467 CA LEU A 32 0.434 3.489 -16.889 1.00 0.00 C ATOM 468 C LEU A 32 0.938 4.906 -17.142 1.00 0.00 C ATOM 469 O LEU A 32 2.109 5.111 -17.462 1.00 0.00 O ATOM 470 CB LEU A 32 0.236 3.266 -15.389 1.00 0.00 C ATOM 471 CG LEU A 32 -1.199 3.393 -14.875 1.00 0.00 C ATOM 472 CD1 LEU A 32 -1.462 2.381 -13.770 1.00 0.00 C ATOM 473 CD2 LEU A 32 -1.466 4.807 -14.381 1.00 0.00 C ATOM 0 H LEU A 32 2.344 2.697 -17.237 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.522 3.368 -17.398 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.604 2.271 -15.138 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.858 3.981 -14.850 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.880 3.184 -15.700 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.488 2.486 -13.417 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.313 1.373 -14.157 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.774 2.558 -12.943 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.492 4.878 -14.019 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.778 5.045 -13.570 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.320 5.512 -15.199 1.00 0.00 H new ATOM 485 N SER A 33 0.047 5.881 -16.995 1.00 0.00 N ATOM 486 CA SER A 33 0.401 7.279 -17.208 1.00 0.00 C ATOM 487 C SER A 33 1.058 7.870 -15.964 1.00 0.00 C ATOM 488 O SER A 33 0.914 7.359 -14.853 1.00 0.00 O ATOM 489 CB SER A 33 -0.841 8.092 -17.578 1.00 0.00 C ATOM 490 OG SER A 33 -1.073 8.062 -18.975 1.00 0.00 O ATOM 0 H SER A 33 -0.926 5.728 -16.729 1.00 0.00 H new ATOM 0 HA SER A 33 1.115 7.325 -18.031 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.710 7.694 -17.053 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.715 9.124 -17.249 1.00 0.00 H new ATOM 0 HG SER A 33 -1.873 8.587 -19.185 1.00 0.00 H new ATOM 496 N PRO A 34 1.797 8.973 -16.153 1.00 0.00 N ATOM 497 CA PRO A 34 2.491 9.658 -15.059 1.00 0.00 C ATOM 498 C PRO A 34 1.525 10.351 -14.104 1.00 0.00 C ATOM 499 O PRO A 34 1.749 10.383 -12.894 1.00 0.00 O ATOM 500 CB PRO A 34 3.361 10.690 -15.781 1.00 0.00 C ATOM 501 CG PRO A 34 2.660 10.939 -17.072 1.00 0.00 C ATOM 502 CD PRO A 34 2.013 9.636 -17.450 1.00 0.00 C ATOM 0 HA PRO A 34 3.057 8.964 -14.438 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.455 11.606 -15.198 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.370 10.312 -15.945 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.915 11.728 -16.966 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.361 11.264 -17.841 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.075 9.793 -17.982 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.654 9.043 -18.102 1.00 0.00 H new ATOM 510 N SER A 35 0.449 10.904 -14.656 1.00 0.00 N ATOM 511 CA SER A 35 -0.550 11.599 -13.853 1.00 0.00 C ATOM 512 C SER A 35 -1.282 10.626 -12.935 1.00 0.00 C ATOM 513 O SER A 35 -1.460 10.891 -11.746 1.00 0.00 O ATOM 514 CB SER A 35 -1.553 12.317 -14.758 1.00 0.00 C ATOM 515 OG SER A 35 -2.561 12.956 -13.995 1.00 0.00 O ATOM 0 H SER A 35 0.247 10.884 -15.656 1.00 0.00 H new ATOM 0 HA SER A 35 -0.036 12.336 -13.236 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.033 13.054 -15.370 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.009 11.601 -15.441 1.00 0.00 H new ATOM 0 HG SER A 35 -3.189 13.409 -14.596 1.00 0.00 H new ATOM 521 N ARG A 36 -1.705 9.497 -13.496 1.00 0.00 N ATOM 522 CA ARG A 36 -2.420 8.484 -12.729 1.00 0.00 C ATOM 523 C ARG A 36 -1.478 7.764 -11.768 1.00 0.00 C ATOM 524 O ARG A 36 -1.850 7.448 -10.638 1.00 0.00 O ATOM 525 CB ARG A 36 -3.078 7.472 -13.669 1.00 0.00 C ATOM 526 CG ARG A 36 -4.479 7.868 -14.105 1.00 0.00 C ATOM 527 CD ARG A 36 -5.504 7.574 -13.021 1.00 0.00 C ATOM 528 NE ARG A 36 -6.698 8.402 -13.158 1.00 0.00 N ATOM 529 CZ ARG A 36 -7.674 8.148 -14.023 1.00 0.00 C ATOM 530 NH1 ARG A 36 -7.596 7.094 -14.824 1.00 0.00 N ATOM 531 NH2 ARG A 36 -8.730 8.949 -14.089 1.00 0.00 N ATOM 0 H ARG A 36 -1.565 9.261 -14.478 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.193 8.984 -12.146 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.452 7.350 -14.553 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.121 6.503 -13.173 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.499 8.930 -14.348 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.744 7.328 -15.014 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.786 6.522 -13.064 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.055 7.744 -12.042 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.788 9.221 -12.557 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.786 6.476 -14.777 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.346 6.901 -15.487 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.793 9.761 -13.475 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.478 8.753 -14.754 1.00 0.00 H new ATOM 545 N LEU A 37 -0.257 7.508 -12.226 1.00 0.00 N ATOM 546 CA LEU A 37 0.739 6.825 -11.407 1.00 0.00 C ATOM 547 C LEU A 37 1.194 7.710 -10.251 1.00 0.00 C ATOM 548 O LEU A 37 1.299 7.255 -9.112 1.00 0.00 O ATOM 549 CB LEU A 37 1.942 6.425 -12.263 1.00 0.00 C ATOM 550 CG LEU A 37 3.173 5.931 -11.500 1.00 0.00 C ATOM 551 CD1 LEU A 37 3.452 4.472 -11.826 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.383 6.793 -11.826 1.00 0.00 C ATOM 0 H LEU A 37 0.067 7.763 -13.159 1.00 0.00 H new ATOM 0 HA LEU A 37 0.280 5.927 -10.993 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.628 5.641 -12.953 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.234 7.284 -12.868 1.00 0.00 H new ATOM 0 HG LEU A 37 2.972 6.011 -10.432 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.331 4.138 -11.275 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.593 3.865 -11.542 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.633 4.366 -12.896 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.249 6.427 -11.275 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.587 6.745 -12.896 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.181 7.826 -11.542 1.00 0.00 H new ATOM 564 N SER A 38 1.460 8.977 -10.552 1.00 0.00 N ATOM 565 CA SER A 38 1.905 9.926 -9.538 1.00 0.00 C ATOM 566 C SER A 38 0.855 10.082 -8.442 1.00 0.00 C ATOM 567 O SER A 38 1.183 10.149 -7.257 1.00 0.00 O ATOM 568 CB SER A 38 2.198 11.286 -10.176 1.00 0.00 C ATOM 569 OG SER A 38 2.732 12.191 -9.224 1.00 0.00 O ATOM 0 H SER A 38 1.375 9.370 -11.489 1.00 0.00 H new ATOM 0 HA SER A 38 2.819 9.538 -9.089 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.902 11.161 -10.999 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.282 11.697 -10.600 1.00 0.00 H new ATOM 0 HG SER A 38 2.912 13.052 -9.656 1.00 0.00 H new ATOM 575 N HIS A 39 -0.410 10.139 -8.846 1.00 0.00 N ATOM 576 CA HIS A 39 -1.510 10.286 -7.899 1.00 0.00 C ATOM 577 C HIS A 39 -1.530 9.129 -6.906 1.00 0.00 C ATOM 578 O HIS A 39 -1.628 9.337 -5.696 1.00 0.00 O ATOM 579 CB HIS A 39 -2.844 10.360 -8.642 1.00 0.00 C ATOM 580 CG HIS A 39 -4.014 10.629 -7.747 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.681 11.836 -7.723 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.636 9.839 -6.841 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.662 11.777 -6.841 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.657 10.576 -6.291 1.00 0.00 N ATOM 0 H HIS A 39 -0.699 10.086 -9.823 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.359 11.213 -7.346 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.787 11.144 -9.397 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.009 9.421 -9.170 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.378 8.819 -6.596 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.351 12.575 -6.609 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.305 10.249 -5.575 1.00 0.00 H new ATOM 592 N LEU A 40 -1.438 7.909 -7.424 1.00 0.00 N ATOM 593 CA LEU A 40 -1.447 6.717 -6.583 1.00 0.00 C ATOM 594 C LEU A 40 -0.143 6.593 -5.801 1.00 0.00 C ATOM 595 O LEU A 40 -0.124 6.077 -4.684 1.00 0.00 O ATOM 596 CB LEU A 40 -1.663 5.467 -7.438 1.00 0.00 C ATOM 597 CG LEU A 40 -2.942 5.439 -8.275 1.00 0.00 C ATOM 598 CD1 LEU A 40 -3.045 4.134 -9.049 1.00 0.00 C ATOM 599 CD2 LEU A 40 -4.164 5.633 -7.389 1.00 0.00 C ATOM 0 H LEU A 40 -1.356 7.719 -8.423 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.268 6.810 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.811 5.359 -8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.664 4.597 -6.781 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.903 6.260 -8.991 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.962 4.132 -9.639 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.186 4.036 -9.713 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.061 3.297 -8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.065 5.610 -8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.208 4.833 -6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.096 6.594 -6.880 1.00 0.00 H new ATOM 611 N PHE A 41 0.945 7.073 -6.395 1.00 0.00 N ATOM 612 CA PHE A 41 2.253 7.017 -5.753 1.00 0.00 C ATOM 613 C PHE A 41 2.229 7.732 -4.406 1.00 0.00 C ATOM 614 O PHE A 41 2.665 7.185 -3.393 1.00 0.00 O ATOM 615 CB PHE A 41 3.316 7.646 -6.658 1.00 0.00 C ATOM 616 CG PHE A 41 4.604 6.875 -6.694 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.614 7.145 -5.784 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.806 5.880 -7.637 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.801 6.438 -5.816 1.00 0.00 C ATOM 620 CE2 PHE A 41 5.991 5.169 -7.673 1.00 0.00 C ATOM 621 CZ PHE A 41 6.989 5.448 -6.761 1.00 0.00 C ATOM 0 H PHE A 41 0.947 7.505 -7.319 1.00 0.00 H new ATOM 0 HA PHE A 41 2.502 5.969 -5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.920 7.724 -7.671 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.519 8.661 -6.316 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.472 7.916 -5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.028 5.657 -8.352 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.581 6.659 -5.103 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.136 4.396 -8.414 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.915 4.893 -6.786 1.00 0.00 H new ATOM 631 N ARG A 42 1.717 8.959 -4.402 1.00 0.00 N ATOM 632 CA ARG A 42 1.638 9.750 -3.180 1.00 0.00 C ATOM 633 C ARG A 42 0.627 9.149 -2.208 1.00 0.00 C ATOM 634 O ARG A 42 0.724 9.347 -0.997 1.00 0.00 O ATOM 635 CB ARG A 42 1.250 11.194 -3.507 1.00 0.00 C ATOM 636 CG ARG A 42 1.621 12.185 -2.416 1.00 0.00 C ATOM 637 CD ARG A 42 0.387 12.709 -1.697 1.00 0.00 C ATOM 638 NE ARG A 42 -0.122 13.934 -2.308 1.00 0.00 N ATOM 639 CZ ARG A 42 -1.364 14.377 -2.141 1.00 0.00 C ATOM 640 NH1 ARG A 42 -2.217 13.699 -1.386 1.00 0.00 N ATOM 641 NH2 ARG A 42 -1.753 15.501 -2.729 1.00 0.00 N ATOM 0 H ARG A 42 1.351 9.426 -5.231 1.00 0.00 H new ATOM 0 HA ARG A 42 2.620 9.742 -2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.736 11.491 -4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.175 11.242 -3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.286 11.705 -1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.171 13.019 -2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.392 11.946 -1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.630 12.899 -0.651 1.00 0.00 H new ATOM 0 HE ARG A 42 0.510 14.479 -2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.921 12.835 -0.932 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.170 14.041 -1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.099 16.026 -3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.706 15.840 -2.600 1.00 0.00 H new ATOM 655 N GLN A 43 -0.340 8.414 -2.747 1.00 0.00 N ATOM 656 CA GLN A 43 -1.369 7.785 -1.927 1.00 0.00 C ATOM 657 C GLN A 43 -0.833 6.527 -1.252 1.00 0.00 C ATOM 658 O GLN A 43 -1.118 6.269 -0.083 1.00 0.00 O ATOM 659 CB GLN A 43 -2.591 7.440 -2.780 1.00 0.00 C ATOM 660 CG GLN A 43 -3.852 7.201 -1.966 1.00 0.00 C ATOM 661 CD GLN A 43 -5.116 7.371 -2.786 1.00 0.00 C ATOM 662 OE1 GLN A 43 -5.483 8.485 -3.159 1.00 0.00 O ATOM 663 NE2 GLN A 43 -5.790 6.263 -3.071 1.00 0.00 N ATOM 0 H GLN A 43 -0.433 8.239 -3.748 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.664 8.493 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.772 8.251 -3.486 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.373 6.548 -3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.826 6.194 -1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.873 7.893 -1.124 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.449 5.360 -2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -6.648 6.315 -3.620 1.00 0.00 H new ATOM 672 N GLN A 44 -0.055 5.748 -1.997 1.00 0.00 N ATOM 673 CA GLN A 44 0.519 4.515 -1.470 1.00 0.00 C ATOM 674 C GLN A 44 1.772 4.806 -0.650 1.00 0.00 C ATOM 675 O GLN A 44 2.003 4.187 0.390 1.00 0.00 O ATOM 676 CB GLN A 44 0.855 3.555 -2.613 1.00 0.00 C ATOM 677 CG GLN A 44 -0.368 3.036 -3.351 1.00 0.00 C ATOM 678 CD GLN A 44 -1.256 2.174 -2.475 1.00 0.00 C ATOM 679 OE1 GLN A 44 -0.787 1.538 -1.530 1.00 0.00 O ATOM 680 NE2 GLN A 44 -2.547 2.150 -2.783 1.00 0.00 N ATOM 0 H GLN A 44 0.192 5.948 -2.966 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.220 4.049 -0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.509 4.063 -3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.414 2.709 -2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.945 3.880 -3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.047 2.457 -4.217 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.893 2.692 -3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.193 1.589 -2.228 1.00 0.00 H new ATOM 689 N LEU A 45 2.577 5.750 -1.123 1.00 0.00 N ATOM 690 CA LEU A 45 3.807 6.123 -0.433 1.00 0.00 C ATOM 691 C LEU A 45 3.544 7.217 0.597 1.00 0.00 C ATOM 692 O LEU A 45 4.358 7.454 1.488 1.00 0.00 O ATOM 693 CB LEU A 45 4.857 6.597 -1.441 1.00 0.00 C ATOM 694 CG LEU A 45 6.233 5.939 -1.336 1.00 0.00 C ATOM 695 CD1 LEU A 45 6.964 6.014 -2.667 1.00 0.00 C ATOM 696 CD2 LEU A 45 7.055 6.596 -0.236 1.00 0.00 C ATOM 0 H LEU A 45 2.401 6.272 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 45 4.183 5.243 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.470 6.426 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.982 7.674 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 45 6.094 4.889 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.941 5.541 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.383 5.497 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.093 7.058 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.031 6.115 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.185 7.654 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.538 6.489 0.718 1.00 0.00 H new ATOM 708 N GLY A 46 2.399 7.880 0.468 1.00 0.00 N ATOM 709 CA GLY A 46 2.047 8.940 1.396 1.00 0.00 C ATOM 710 C GLY A 46 2.946 10.153 1.258 1.00 0.00 C ATOM 711 O GLY A 46 2.878 11.078 2.067 1.00 0.00 O ATOM 0 H GLY A 46 1.709 7.703 -0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.012 9.238 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.108 8.561 2.416 1.00 0.00 H new ATOM 715 N ILE A 47 3.790 10.148 0.231 1.00 0.00 N ATOM 716 CA ILE A 47 4.705 11.256 -0.009 1.00 0.00 C ATOM 717 C ILE A 47 4.995 11.417 -1.497 1.00 0.00 C ATOM 718 O ILE A 47 4.616 10.573 -2.309 1.00 0.00 O ATOM 719 CB ILE A 47 6.035 11.061 0.743 1.00 0.00 C ATOM 720 CG1 ILE A 47 6.806 9.874 0.162 1.00 0.00 C ATOM 721 CG2 ILE A 47 5.778 10.856 2.229 1.00 0.00 C ATOM 722 CD1 ILE A 47 8.131 9.621 0.845 1.00 0.00 C ATOM 0 H ILE A 47 3.859 9.389 -0.447 1.00 0.00 H new ATOM 0 HA ILE A 47 4.215 12.156 0.363 1.00 0.00 H new ATOM 0 HB ILE A 47 6.640 11.959 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.190 8.978 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.981 10.050 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.727 10.720 2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.266 11.729 2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.156 9.972 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.622 8.765 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.766 10.502 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.962 9.413 1.902 1.00 0.00 H new ATOM 734 N SER A 48 5.671 12.506 -1.849 1.00 0.00 N ATOM 735 CA SER A 48 6.010 12.780 -3.240 1.00 0.00 C ATOM 736 C SER A 48 7.191 11.924 -3.690 1.00 0.00 C ATOM 737 O SER A 48 8.088 11.622 -2.904 1.00 0.00 O ATOM 738 CB SER A 48 6.341 14.262 -3.425 1.00 0.00 C ATOM 739 OG SER A 48 6.908 14.809 -2.247 1.00 0.00 O ATOM 0 H SER A 48 5.995 13.213 -1.189 1.00 0.00 H new ATOM 0 HA SER A 48 5.145 12.529 -3.855 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.036 14.382 -4.256 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.436 14.810 -3.685 1.00 0.00 H new ATOM 0 HG SER A 48 7.112 15.757 -2.392 1.00 0.00 H new ATOM 745 N VAL A 49 7.182 11.535 -4.961 1.00 0.00 N ATOM 746 CA VAL A 49 8.251 10.715 -5.517 1.00 0.00 C ATOM 747 C VAL A 49 9.615 11.354 -5.278 1.00 0.00 C ATOM 748 O VAL A 49 10.596 10.663 -5.000 1.00 0.00 O ATOM 749 CB VAL A 49 8.059 10.493 -7.029 1.00 0.00 C ATOM 750 CG1 VAL A 49 6.788 9.701 -7.296 1.00 0.00 C ATOM 751 CG2 VAL A 49 8.031 11.824 -7.764 1.00 0.00 C ATOM 0 H VAL A 49 6.446 11.775 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 49 8.209 9.752 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 49 8.904 9.915 -7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.670 9.554 -8.370 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.853 8.731 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.929 10.249 -6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.895 11.648 -8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.207 12.430 -7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.972 12.350 -7.600 1.00 0.00 H new ATOM 761 N LEU A 50 9.670 12.676 -5.387 1.00 0.00 N ATOM 762 CA LEU A 50 10.914 13.410 -5.181 1.00 0.00 C ATOM 763 C LEU A 50 11.419 13.235 -3.753 1.00 0.00 C ATOM 764 O LEU A 50 12.622 13.114 -3.519 1.00 0.00 O ATOM 765 CB LEU A 50 10.709 14.895 -5.484 1.00 0.00 C ATOM 766 CG LEU A 50 11.036 15.341 -6.910 1.00 0.00 C ATOM 767 CD1 LEU A 50 10.215 14.550 -7.917 1.00 0.00 C ATOM 768 CD2 LEU A 50 10.789 16.833 -7.072 1.00 0.00 C ATOM 0 H LEU A 50 8.868 13.262 -5.617 1.00 0.00 H new ATOM 0 HA LEU A 50 11.663 13.007 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.669 15.148 -5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.323 15.474 -4.794 1.00 0.00 H new ATOM 0 HG LEU A 50 12.092 15.146 -7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.460 14.880 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.442 13.488 -7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.154 14.713 -7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.027 17.132 -8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.742 17.053 -6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.421 17.384 -6.376 1.00 0.00 H new ATOM 780 N SER A 51 10.492 13.222 -2.800 1.00 0.00 N ATOM 781 CA SER A 51 10.844 13.064 -1.394 1.00 0.00 C ATOM 782 C SER A 51 11.268 11.628 -1.098 1.00 0.00 C ATOM 783 O SER A 51 12.243 11.392 -0.384 1.00 0.00 O ATOM 784 CB SER A 51 9.662 13.452 -0.504 1.00 0.00 C ATOM 785 OG SER A 51 9.740 12.811 0.758 1.00 0.00 O ATOM 0 H SER A 51 9.492 13.319 -2.976 1.00 0.00 H new ATOM 0 HA SER A 51 11.684 13.724 -1.179 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.647 14.533 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.728 13.180 -0.996 1.00 0.00 H new ATOM 0 HG SER A 51 8.974 13.077 1.308 1.00 0.00 H new ATOM 791 N TRP A 52 10.528 10.674 -1.651 1.00 0.00 N ATOM 792 CA TRP A 52 10.826 9.261 -1.447 1.00 0.00 C ATOM 793 C TRP A 52 12.235 8.927 -1.925 1.00 0.00 C ATOM 794 O TRP A 52 12.968 8.194 -1.261 1.00 0.00 O ATOM 795 CB TRP A 52 9.805 8.392 -2.183 1.00 0.00 C ATOM 796 CG TRP A 52 10.137 6.930 -2.150 1.00 0.00 C ATOM 797 CD1 TRP A 52 10.103 6.106 -1.062 1.00 0.00 C ATOM 798 CD2 TRP A 52 10.553 6.122 -3.256 1.00 0.00 C ATOM 799 NE1 TRP A 52 10.474 4.834 -1.424 1.00 0.00 N ATOM 800 CE2 TRP A 52 10.754 4.817 -2.765 1.00 0.00 C ATOM 801 CE3 TRP A 52 10.775 6.372 -4.613 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.166 3.769 -3.584 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.184 5.331 -5.424 1.00 0.00 C ATOM 804 CH2 TRP A 52 11.376 4.042 -4.908 1.00 0.00 C ATOM 0 H TRP A 52 9.718 10.853 -2.244 1.00 0.00 H new ATOM 0 HA TRP A 52 10.766 9.053 -0.379 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.821 8.544 -1.739 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.740 8.719 -3.221 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.825 6.410 -0.063 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.532 4.032 -0.796 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.629 7.362 -5.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.315 2.775 -3.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.359 5.514 -6.474 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.696 3.249 -5.568 1.00 0.00 H new ATOM 815 N ARG A 53 12.608 9.471 -3.079 1.00 0.00 N ATOM 816 CA ARG A 53 13.929 9.229 -3.645 1.00 0.00 C ATOM 817 C ARG A 53 15.023 9.722 -2.702 1.00 0.00 C ATOM 818 O ARG A 53 15.995 9.014 -2.440 1.00 0.00 O ATOM 819 CB ARG A 53 14.060 9.923 -5.002 1.00 0.00 C ATOM 820 CG ARG A 53 15.447 9.808 -5.614 1.00 0.00 C ATOM 821 CD ARG A 53 15.416 10.048 -7.115 1.00 0.00 C ATOM 822 NE ARG A 53 16.316 11.127 -7.515 1.00 0.00 N ATOM 823 CZ ARG A 53 16.008 12.415 -7.417 1.00 0.00 C ATOM 824 NH1 ARG A 53 14.830 12.784 -6.932 1.00 0.00 N ATOM 825 NH2 ARG A 53 16.880 13.338 -7.802 1.00 0.00 N ATOM 0 H ARG A 53 12.014 10.082 -3.640 1.00 0.00 H new ATOM 0 HA ARG A 53 14.048 8.154 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.332 9.495 -5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.809 10.978 -4.887 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.115 10.530 -5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.854 8.817 -5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.695 9.131 -7.635 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.399 10.291 -7.422 1.00 0.00 H new ATOM 0 HE ARG A 53 17.231 10.877 -7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.158 12.078 -6.633 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.596 13.774 -6.858 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.788 13.058 -8.174 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.642 14.327 -7.726 1.00 0.00 H new ATOM 839 N GLU A 54 14.857 10.941 -2.197 1.00 0.00 N ATOM 840 CA GLU A 54 15.831 11.528 -1.285 1.00 0.00 C ATOM 841 C GLU A 54 15.873 10.762 0.034 1.00 0.00 C ATOM 842 O GLU A 54 16.946 10.435 0.541 1.00 0.00 O ATOM 843 CB GLU A 54 15.496 12.998 -1.023 1.00 0.00 C ATOM 844 CG GLU A 54 16.409 13.657 -0.002 1.00 0.00 C ATOM 845 CD GLU A 54 16.409 15.170 -0.112 1.00 0.00 C ATOM 846 OE1 GLU A 54 15.317 15.755 -0.268 1.00 0.00 O ATOM 847 OE2 GLU A 54 17.503 15.769 -0.041 1.00 0.00 O ATOM 0 H GLU A 54 14.058 11.540 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 54 16.813 11.464 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.557 13.549 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.465 13.071 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.094 13.369 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.425 13.286 -0.136 1.00 0.00 H new ATOM 854 N ASP A 55 14.697 10.479 0.584 1.00 0.00 N ATOM 855 CA ASP A 55 14.598 9.750 1.844 1.00 0.00 C ATOM 856 C ASP A 55 15.330 8.415 1.758 1.00 0.00 C ATOM 857 O ASP A 55 16.062 8.038 2.673 1.00 0.00 O ATOM 858 CB ASP A 55 13.131 9.520 2.210 1.00 0.00 C ATOM 859 CG ASP A 55 12.916 9.427 3.708 1.00 0.00 C ATOM 860 OD1 ASP A 55 13.285 10.384 4.420 1.00 0.00 O ATOM 861 OD2 ASP A 55 12.380 8.397 4.168 1.00 0.00 O ATOM 0 H ASP A 55 13.799 10.743 0.178 1.00 0.00 H new ATOM 0 HA ASP A 55 15.068 10.351 2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.528 10.334 1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.781 8.602 1.738 1.00 0.00 H new ATOM 866 N GLN A 56 15.125 7.703 0.654 1.00 0.00 N ATOM 867 CA GLN A 56 15.764 6.408 0.451 1.00 0.00 C ATOM 868 C GLN A 56 17.265 6.570 0.236 1.00 0.00 C ATOM 869 O GLN A 56 18.057 5.734 0.671 1.00 0.00 O ATOM 870 CB GLN A 56 15.140 5.690 -0.747 1.00 0.00 C ATOM 871 CG GLN A 56 13.759 5.120 -0.463 1.00 0.00 C ATOM 872 CD GLN A 56 13.800 3.933 0.479 1.00 0.00 C ATOM 873 OE1 GLN A 56 13.785 4.094 1.700 1.00 0.00 O ATOM 874 NE2 GLN A 56 13.853 2.732 -0.085 1.00 0.00 N ATOM 0 H GLN A 56 14.522 8.001 -0.113 1.00 0.00 H new ATOM 0 HA GLN A 56 15.606 5.808 1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.072 6.387 -1.582 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.800 4.881 -1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.130 5.899 -0.032 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.295 4.818 -1.402 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.864 2.646 -1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.883 1.896 0.498 1.00 0.00 H new ATOM 883 N ARG A 57 17.649 7.650 -0.436 1.00 0.00 N ATOM 884 CA ARG A 57 19.055 7.920 -0.710 1.00 0.00 C ATOM 885 C ARG A 57 19.833 8.117 0.588 1.00 0.00 C ATOM 886 O ARG A 57 20.917 7.560 0.763 1.00 0.00 O ATOM 887 CB ARG A 57 19.195 9.160 -1.594 1.00 0.00 C ATOM 888 CG ARG A 57 19.028 8.873 -3.077 1.00 0.00 C ATOM 889 CD ARG A 57 18.842 10.154 -3.876 1.00 0.00 C ATOM 890 NE ARG A 57 20.103 10.644 -4.425 1.00 0.00 N ATOM 891 CZ ARG A 57 20.180 11.490 -5.447 1.00 0.00 C ATOM 892 NH1 ARG A 57 19.074 11.937 -6.026 1.00 0.00 N ATOM 893 NH2 ARG A 57 21.365 11.891 -5.890 1.00 0.00 N ATOM 0 H ARG A 57 17.006 8.353 -0.801 1.00 0.00 H new ATOM 0 HA ARG A 57 19.469 7.059 -1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 57 18.453 9.898 -1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 57 20.176 9.606 -1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 57 19.903 8.337 -3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.168 8.221 -3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 57 18.138 9.975 -4.689 1.00 0.00 H new ATOM 0 HD3 ARG A 57 18.403 10.920 -3.236 1.00 0.00 H new ATOM 0 HE ARG A 57 20.972 10.319 -4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 57 18.162 11.632 -5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.136 12.586 -6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 57 22.218 11.550 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 57 21.423 12.540 -6.674 1.00 0.00 H new ATOM 907 N ILE A 58 19.273 8.913 1.493 1.00 0.00 N ATOM 908 CA ILE A 58 19.915 9.182 2.774 1.00 0.00 C ATOM 909 C ILE A 58 19.983 7.922 3.630 1.00 0.00 C ATOM 910 O ILE A 58 21.011 7.630 4.242 1.00 0.00 O ATOM 911 CB ILE A 58 19.171 10.281 3.556 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.115 11.572 2.737 1.00 0.00 C ATOM 913 CG2 ILE A 58 19.846 10.526 4.897 1.00 0.00 C ATOM 914 CD1 ILE A 58 20.477 12.166 2.453 1.00 0.00 C ATOM 0 H ILE A 58 18.377 9.383 1.363 1.00 0.00 H new ATOM 0 HA ILE A 58 20.926 9.524 2.555 1.00 0.00 H new ATOM 0 HB ILE A 58 18.150 9.947 3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.611 11.372 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.512 12.306 3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.309 11.305 5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 58 19.837 9.606 5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.876 10.842 4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.361 13.079 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.976 12.398 3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.077 11.450 1.891 1.00 0.00 H new ATOM 926 N SER A 59 18.883 7.178 3.667 1.00 0.00 N ATOM 927 CA SER A 59 18.817 5.949 4.450 1.00 0.00 C ATOM 928 C SER A 59 19.732 4.880 3.860 1.00 0.00 C ATOM 929 O SER A 59 20.268 4.040 4.583 1.00 0.00 O ATOM 930 CB SER A 59 17.378 5.432 4.506 1.00 0.00 C ATOM 931 OG SER A 59 17.238 4.420 5.488 1.00 0.00 O ATOM 0 H SER A 59 18.025 7.404 3.164 1.00 0.00 H new ATOM 0 HA SER A 59 19.154 6.173 5.462 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.701 6.256 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.091 5.039 3.531 1.00 0.00 H new ATOM 0 HG SER A 59 16.309 4.107 5.505 1.00 0.00 H new ATOM 937 N GLN A 60 19.904 4.918 2.543 1.00 0.00 N ATOM 938 CA GLN A 60 20.752 3.952 1.855 1.00 0.00 C ATOM 939 C GLN A 60 22.220 4.168 2.210 1.00 0.00 C ATOM 940 O GLN A 60 22.952 3.214 2.471 1.00 0.00 O ATOM 941 CB GLN A 60 20.560 4.059 0.342 1.00 0.00 C ATOM 942 CG GLN A 60 21.386 3.056 -0.449 1.00 0.00 C ATOM 943 CD GLN A 60 20.808 1.656 -0.399 1.00 0.00 C ATOM 944 OE1 GLN A 60 19.919 1.311 -1.178 1.00 0.00 O ATOM 945 NE2 GLN A 60 21.311 0.840 0.520 1.00 0.00 N ATOM 0 H GLN A 60 19.467 5.607 1.931 1.00 0.00 H new ATOM 0 HA GLN A 60 20.461 2.953 2.181 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.506 3.914 0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.823 5.067 0.021 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.450 3.382 -1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.403 3.039 -0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.047 1.168 1.145 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.961 -0.115 0.601 1.00 0.00 H new ATOM 954 N ALA A 61 22.643 5.427 2.217 1.00 0.00 N ATOM 955 CA ALA A 61 24.023 5.768 2.541 1.00 0.00 C ATOM 956 C ALA A 61 24.404 5.256 3.926 1.00 0.00 C ATOM 957 O ALA A 61 25.492 4.714 4.121 1.00 0.00 O ATOM 958 CB ALA A 61 24.228 7.274 2.458 1.00 0.00 C ATOM 0 H ALA A 61 22.050 6.229 2.002 1.00 0.00 H new ATOM 0 HA ALA A 61 24.672 5.283 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.263 7.514 2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 61 24.005 7.616 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.563 7.771 3.165 1.00 0.00 H new ATOM 964 N LYS A 62 23.503 5.432 4.886 1.00 0.00 N ATOM 965 CA LYS A 62 23.743 4.987 6.253 1.00 0.00 C ATOM 966 C LYS A 62 23.697 3.465 6.347 1.00 0.00 C ATOM 967 O LYS A 62 24.414 2.860 7.144 1.00 0.00 O ATOM 968 CB LYS A 62 22.709 5.599 7.200 1.00 0.00 C ATOM 969 CG LYS A 62 22.658 7.116 7.147 1.00 0.00 C ATOM 970 CD LYS A 62 21.241 7.634 7.334 1.00 0.00 C ATOM 971 CE LYS A 62 20.953 7.957 8.791 1.00 0.00 C ATOM 972 NZ LYS A 62 19.581 8.506 8.977 1.00 0.00 N ATOM 0 H LYS A 62 22.598 5.881 4.742 1.00 0.00 H new ATOM 0 HA LYS A 62 24.738 5.321 6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.724 5.202 6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.933 5.287 8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.303 7.530 7.922 1.00 0.00 H new ATOM 0 HG3 LYS A 62 23.049 7.461 6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 62 21.096 8.528 6.727 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.530 6.888 6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.068 7.055 9.392 1.00 0.00 H new ATOM 0 HE3 LYS A 62 21.685 8.678 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.424 8.713 9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.479 9.380 8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.881 7.808 8.654 1.00 0.00 H new ATOM 986 N LEU A 63 22.849 2.853 5.527 1.00 0.00 N ATOM 987 CA LEU A 63 22.710 1.401 5.516 1.00 0.00 C ATOM 988 C LEU A 63 23.975 0.736 4.981 1.00 0.00 C ATOM 989 O LEU A 63 24.516 -0.182 5.599 1.00 0.00 O ATOM 990 CB LEU A 63 21.506 0.990 4.666 1.00 0.00 C ATOM 991 CG LEU A 63 21.445 -0.482 4.256 1.00 0.00 C ATOM 992 CD1 LEU A 63 21.516 -1.380 5.481 1.00 0.00 C ATOM 993 CD2 LEU A 63 20.178 -0.761 3.461 1.00 0.00 C ATOM 0 H LEU A 63 22.248 3.339 4.862 1.00 0.00 H new ATOM 0 HA LEU A 63 22.553 1.069 6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 63 20.598 1.231 5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 63 21.500 1.599 3.762 1.00 0.00 H new ATOM 0 HG LEU A 63 22.304 -0.699 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 63 21.471 -2.424 5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 63 22.451 -1.199 6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 63 20.677 -1.162 6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 63 20.151 -1.813 3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 63 19.306 -0.527 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 63 20.168 -0.143 2.563 1.00 0.00 H new ATOM 1005 N LEU A 64 24.443 1.208 3.831 1.00 0.00 N ATOM 1006 CA LEU A 64 25.646 0.661 3.213 1.00 0.00 C ATOM 1007 C LEU A 64 26.886 1.015 4.028 1.00 0.00 C ATOM 1008 O LEU A 64 27.808 0.209 4.158 1.00 0.00 O ATOM 1009 CB LEU A 64 25.794 1.187 1.784 1.00 0.00 C ATOM 1010 CG LEU A 64 26.303 2.623 1.647 1.00 0.00 C ATOM 1011 CD1 LEU A 64 27.822 2.644 1.568 1.00 0.00 C ATOM 1012 CD2 LEU A 64 25.694 3.290 0.423 1.00 0.00 C ATOM 0 H LEU A 64 24.008 1.968 3.308 1.00 0.00 H new ATOM 0 HA LEU A 64 25.549 -0.424 3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 64 26.475 0.528 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 64 24.825 1.118 1.290 1.00 0.00 H new ATOM 0 HG LEU A 64 25.997 3.183 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 64 28.167 3.673 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 64 28.240 2.205 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 64 28.149 2.068 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 64 26.067 4.311 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 64 25.969 2.730 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 64 24.608 3.307 0.520 1.00 0.00 H new ATOM 1024 N LEU A 65 26.900 2.224 4.578 1.00 0.00 N ATOM 1025 CA LEU A 65 28.026 2.685 5.383 1.00 0.00 C ATOM 1026 C LEU A 65 28.196 1.819 6.627 1.00 0.00 C ATOM 1027 O LEU A 65 29.304 1.664 7.141 1.00 0.00 O ATOM 1028 CB LEU A 65 27.824 4.146 5.789 1.00 0.00 C ATOM 1029 CG LEU A 65 28.277 5.194 4.772 1.00 0.00 C ATOM 1030 CD1 LEU A 65 27.613 6.533 5.054 1.00 0.00 C ATOM 1031 CD2 LEU A 65 29.792 5.334 4.789 1.00 0.00 C ATOM 0 H LEU A 65 26.145 2.903 4.481 1.00 0.00 H new ATOM 0 HA LEU A 65 28.930 2.604 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 65 26.765 4.302 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.359 4.320 6.723 1.00 0.00 H new ATOM 0 HG LEU A 65 27.974 4.863 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 65 27.947 7.267 4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.530 6.423 4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.885 6.870 6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.096 6.084 4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 65 30.118 5.642 5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.249 4.377 4.538 1.00 0.00 H new ATOM 1043 N SER A 66 27.092 1.254 7.104 1.00 0.00 N ATOM 1044 CA SER A 66 27.118 0.404 8.289 1.00 0.00 C ATOM 1045 C SER A 66 27.702 -0.966 7.961 1.00 0.00 C ATOM 1046 O SER A 66 28.169 -1.684 8.846 1.00 0.00 O ATOM 1047 CB SER A 66 25.708 0.247 8.862 1.00 0.00 C ATOM 1048 OG SER A 66 25.752 -0.146 10.222 1.00 0.00 O ATOM 0 H SER A 66 26.168 1.369 6.688 1.00 0.00 H new ATOM 0 HA SER A 66 27.753 0.882 9.035 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.167 1.189 8.770 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.157 -0.495 8.283 1.00 0.00 H new ATOM 0 HG SER A 66 24.839 -0.238 10.566 1.00 0.00 H new ATOM 1054 N THR A 67 27.673 -1.324 6.681 1.00 0.00 N ATOM 1055 CA THR A 67 28.197 -2.609 6.234 1.00 0.00 C ATOM 1056 C THR A 67 29.472 -2.428 5.418 1.00 0.00 C ATOM 1057 O THR A 67 30.060 -3.400 4.942 1.00 0.00 O ATOM 1058 CB THR A 67 27.163 -3.374 5.388 1.00 0.00 C ATOM 1059 OG1 THR A 67 27.746 -4.575 4.869 1.00 0.00 O ATOM 1060 CG2 THR A 67 26.659 -2.512 4.240 1.00 0.00 C ATOM 0 H THR A 67 27.292 -0.742 5.935 1.00 0.00 H new ATOM 0 HA THR A 67 28.421 -3.188 7.130 1.00 0.00 H new ATOM 0 HB THR A 67 26.319 -3.628 6.029 1.00 0.00 H new ATOM 0 HG1 THR A 67 28.720 -4.538 4.974 1.00 0.00 H new ATOM 0 HG21 THR A 67 25.930 -3.074 3.656 1.00 0.00 H new ATOM 0 HG22 THR A 67 26.190 -1.613 4.639 1.00 0.00 H new ATOM 0 HG23 THR A 67 27.496 -2.231 3.601 1.00 0.00 H new ATOM 1068 N THR A 68 29.895 -1.178 5.259 1.00 0.00 N ATOM 1069 CA THR A 68 31.101 -0.870 4.499 1.00 0.00 C ATOM 1070 C THR A 68 31.989 0.113 5.253 1.00 0.00 C ATOM 1071 O THR A 68 31.548 0.763 6.201 1.00 0.00 O ATOM 1072 CB THR A 68 30.758 -0.281 3.118 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.218 1.037 3.267 1.00 0.00 O ATOM 1074 CG2 THR A 68 29.760 -1.164 2.385 1.00 0.00 C ATOM 0 H THR A 68 29.421 -0.362 5.646 1.00 0.00 H new ATOM 0 HA THR A 68 31.638 -1.809 4.362 1.00 0.00 H new ATOM 0 HB THR A 68 31.675 -0.233 2.531 1.00 0.00 H new ATOM 0 HG1 THR A 68 29.315 0.980 3.643 1.00 0.00 H new ATOM 0 HG21 THR A 68 29.533 -0.727 1.412 1.00 0.00 H new ATOM 0 HG22 THR A 68 30.186 -2.157 2.246 1.00 0.00 H new ATOM 0 HG23 THR A 68 28.844 -1.241 2.970 1.00 0.00 H new ATOM 1082 N ARG A 69 33.243 0.219 4.824 1.00 0.00 N ATOM 1083 CA ARG A 69 34.194 1.123 5.460 1.00 0.00 C ATOM 1084 C ARG A 69 34.757 2.117 4.448 1.00 0.00 C ATOM 1085 O ARG A 69 35.796 2.734 4.682 1.00 0.00 O ATOM 1086 CB ARG A 69 35.334 0.330 6.101 1.00 0.00 C ATOM 1087 CG ARG A 69 36.172 -0.449 5.101 1.00 0.00 C ATOM 1088 CD ARG A 69 35.625 -1.852 4.889 1.00 0.00 C ATOM 1089 NE ARG A 69 36.227 -2.818 5.805 1.00 0.00 N ATOM 1090 CZ ARG A 69 36.109 -4.133 5.667 1.00 0.00 C ATOM 1091 NH1 ARG A 69 35.415 -4.638 4.656 1.00 0.00 N ATOM 1092 NH2 ARG A 69 36.685 -4.948 6.541 1.00 0.00 N ATOM 0 H ARG A 69 33.624 -0.310 4.039 1.00 0.00 H new ATOM 0 HA ARG A 69 33.667 1.679 6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 69 35.981 1.017 6.647 1.00 0.00 H new ATOM 0 HB3 ARG A 69 34.917 -0.364 6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 69 36.192 0.082 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 69 37.201 -0.508 5.455 1.00 0.00 H new ATOM 0 HD2 ARG A 69 34.544 -1.845 5.029 1.00 0.00 H new ATOM 0 HD3 ARG A 69 35.811 -2.162 3.861 1.00 0.00 H new ATOM 0 HE ARG A 69 36.767 -2.463 6.594 1.00 0.00 H new ATOM 0 HH11 ARG A 69 34.970 -4.016 3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 69 35.326 -5.649 4.553 1.00 0.00 H new ATOM 0 HH21 ARG A 69 37.219 -4.564 7.320 1.00 0.00 H new ATOM 0 HH22 ARG A 69 36.593 -5.958 6.434 1.00 0.00 H new ATOM 1106 N MET A 70 34.064 2.267 3.324 1.00 0.00 N ATOM 1107 CA MET A 70 34.496 3.186 2.278 1.00 0.00 C ATOM 1108 C MET A 70 34.408 4.633 2.755 1.00 0.00 C ATOM 1109 O MET A 70 33.641 4.968 3.658 1.00 0.00 O ATOM 1110 CB MET A 70 33.644 2.999 1.021 1.00 0.00 C ATOM 1111 CG MET A 70 33.904 1.686 0.301 1.00 0.00 C ATOM 1112 SD MET A 70 32.942 1.523 -1.216 1.00 0.00 S ATOM 1113 CE MET A 70 31.274 1.640 -0.574 1.00 0.00 C ATOM 0 H MET A 70 33.202 1.764 3.114 1.00 0.00 H new ATOM 0 HA MET A 70 35.536 2.963 2.040 1.00 0.00 H new ATOM 0 HB2 MET A 70 32.590 3.051 1.295 1.00 0.00 H new ATOM 0 HB3 MET A 70 33.836 3.824 0.335 1.00 0.00 H new ATOM 0 HG2 MET A 70 34.965 1.610 0.064 1.00 0.00 H new ATOM 0 HG3 MET A 70 33.667 0.857 0.968 1.00 0.00 H new ATOM 0 HE1 MET A 70 30.576 1.214 -1.295 1.00 0.00 H new ATOM 0 HE2 MET A 70 31.206 1.091 0.365 1.00 0.00 H new ATOM 0 HE3 MET A 70 31.023 2.687 -0.401 1.00 0.00 H new ATOM 1123 N PRO A 71 35.210 5.511 2.136 1.00 0.00 N ATOM 1124 CA PRO A 71 35.240 6.935 2.481 1.00 0.00 C ATOM 1125 C PRO A 71 33.964 7.660 2.066 1.00 0.00 C ATOM 1126 O PRO A 71 33.161 7.131 1.296 1.00 0.00 O ATOM 1127 CB PRO A 71 36.438 7.467 1.689 1.00 0.00 C ATOM 1128 CG PRO A 71 36.579 6.529 0.540 1.00 0.00 C ATOM 1129 CD PRO A 71 36.149 5.181 1.050 1.00 0.00 C ATOM 0 HA PRO A 71 35.319 7.091 3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.265 8.488 1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.341 7.483 2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 71 35.959 6.844 -0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.609 6.501 0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.669 4.590 0.270 1.00 0.00 H new ATOM 0 HD3 PRO A 71 36.996 4.600 1.414 1.00 0.00 H new ATOM 1137 N ILE A 72 33.783 8.871 2.580 1.00 0.00 N ATOM 1138 CA ILE A 72 32.605 9.668 2.261 1.00 0.00 C ATOM 1139 C ILE A 72 32.551 9.998 0.773 1.00 0.00 C ATOM 1140 O ILE A 72 31.473 10.134 0.196 1.00 0.00 O ATOM 1141 CB ILE A 72 32.577 10.979 3.068 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.765 10.691 4.559 1.00 0.00 C ATOM 1143 CG2 ILE A 72 31.270 11.721 2.828 1.00 0.00 C ATOM 1144 CD1 ILE A 72 32.748 11.933 5.422 1.00 0.00 C ATOM 0 H ILE A 72 34.437 9.322 3.219 1.00 0.00 H new ATOM 0 HA ILE A 72 31.736 9.068 2.529 1.00 0.00 H new ATOM 0 HB ILE A 72 33.399 11.611 2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 72 31.977 10.016 4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 72 33.712 10.171 4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 72 31.265 12.646 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 72 31.174 11.955 1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.434 11.095 3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 72 32.887 11.652 6.466 1.00 0.00 H new ATOM 0 HD12 ILE A 72 33.554 12.600 5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.791 12.443 5.307 1.00 0.00 H new ATOM 1156 N ALA A 73 33.722 10.124 0.158 1.00 0.00 N ATOM 1157 CA ALA A 73 33.808 10.435 -1.264 1.00 0.00 C ATOM 1158 C ALA A 73 33.220 9.309 -2.108 1.00 0.00 C ATOM 1159 O ALA A 73 32.433 9.552 -3.023 1.00 0.00 O ATOM 1160 CB ALA A 73 35.254 10.694 -1.660 1.00 0.00 C ATOM 0 H ALA A 73 34.624 10.016 0.622 1.00 0.00 H new ATOM 0 HA ALA A 73 33.224 11.336 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.304 10.925 -2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.643 11.536 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 73 35.852 9.807 -1.453 1.00 0.00 H new ATOM 1166 N THR A 74 33.607 8.077 -1.796 1.00 0.00 N ATOM 1167 CA THR A 74 33.120 6.914 -2.527 1.00 0.00 C ATOM 1168 C THR A 74 31.646 6.659 -2.235 1.00 0.00 C ATOM 1169 O THR A 74 30.857 6.407 -3.145 1.00 0.00 O ATOM 1170 CB THR A 74 33.927 5.650 -2.175 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.306 5.839 -2.513 1.00 0.00 O ATOM 1172 CG2 THR A 74 33.381 4.437 -2.912 1.00 0.00 C ATOM 0 H THR A 74 34.257 7.858 -1.041 1.00 0.00 H new ATOM 0 HA THR A 74 33.245 7.132 -3.587 1.00 0.00 H new ATOM 0 HB THR A 74 33.837 5.475 -1.103 1.00 0.00 H new ATOM 0 HG1 THR A 74 35.812 5.032 -2.285 1.00 0.00 H new ATOM 0 HG21 THR A 74 33.967 3.557 -2.648 1.00 0.00 H new ATOM 0 HG22 THR A 74 32.340 4.278 -2.630 1.00 0.00 H new ATOM 0 HG23 THR A 74 33.444 4.606 -3.987 1.00 0.00 H new ATOM 1180 N VAL A 75 31.279 6.728 -0.959 1.00 0.00 N ATOM 1181 CA VAL A 75 29.899 6.506 -0.547 1.00 0.00 C ATOM 1182 C VAL A 75 28.950 7.454 -1.272 1.00 0.00 C ATOM 1183 O VAL A 75 27.860 7.062 -1.685 1.00 0.00 O ATOM 1184 CB VAL A 75 29.730 6.691 0.973 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.273 6.513 1.374 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.623 5.720 1.730 1.00 0.00 C ATOM 0 H VAL A 75 31.919 6.936 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 75 29.652 5.477 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 75 30.032 7.705 1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.173 6.647 2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.661 7.252 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 75 27.940 5.512 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.491 5.865 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.354 4.697 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.665 5.901 1.465 1.00 0.00 H new ATOM 1196 N GLY A 76 29.374 8.705 -1.424 1.00 0.00 N ATOM 1197 CA GLY A 76 28.550 9.691 -2.100 1.00 0.00 C ATOM 1198 C GLY A 76 28.169 9.263 -3.503 1.00 0.00 C ATOM 1199 O GLY A 76 27.016 9.406 -3.911 1.00 0.00 O ATOM 0 H GLY A 76 30.273 9.053 -1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.645 9.864 -1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.086 10.639 -2.145 1.00 0.00 H new ATOM 1203 N ARG A 77 29.139 8.738 -4.244 1.00 0.00 N ATOM 1204 CA ARG A 77 28.900 8.291 -5.611 1.00 0.00 C ATOM 1205 C ARG A 77 27.799 7.236 -5.653 1.00 0.00 C ATOM 1206 O ARG A 77 27.029 7.165 -6.610 1.00 0.00 O ATOM 1207 CB ARG A 77 30.185 7.727 -6.218 1.00 0.00 C ATOM 1208 CG ARG A 77 30.976 8.745 -7.024 1.00 0.00 C ATOM 1209 CD ARG A 77 30.743 8.575 -8.517 1.00 0.00 C ATOM 1210 NE ARG A 77 31.401 7.382 -9.042 1.00 0.00 N ATOM 1211 CZ ARG A 77 31.342 7.010 -10.316 1.00 0.00 C ATOM 1212 NH1 ARG A 77 30.661 7.737 -11.191 1.00 0.00 N ATOM 1213 NH2 ARG A 77 31.967 5.911 -10.717 1.00 0.00 N ATOM 0 H ARG A 77 30.098 8.612 -3.921 1.00 0.00 H new ATOM 0 HA ARG A 77 28.577 9.152 -6.197 1.00 0.00 H new ATOM 0 HB2 ARG A 77 30.816 7.341 -5.417 1.00 0.00 H new ATOM 0 HB3 ARG A 77 29.933 6.883 -6.861 1.00 0.00 H new ATOM 0 HG2 ARG A 77 30.689 9.752 -6.722 1.00 0.00 H new ATOM 0 HG3 ARG A 77 32.038 8.637 -6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 77 29.672 8.514 -8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 77 31.113 9.454 -9.044 1.00 0.00 H new ATOM 0 HE ARG A 77 31.935 6.802 -8.395 1.00 0.00 H new ATOM 0 HH11 ARG A 77 30.181 8.584 -10.887 1.00 0.00 H new ATOM 0 HH12 ARG A 77 30.617 7.449 -12.169 1.00 0.00 H new ATOM 0 HH21 ARG A 77 32.494 5.351 -10.047 1.00 0.00 H new ATOM 0 HH22 ARG A 77 31.921 5.626 -11.695 1.00 0.00 H new ATOM 1227 N ASN A 78 27.731 6.417 -4.608 1.00 0.00 N ATOM 1228 CA ASN A 78 26.725 5.364 -4.526 1.00 0.00 C ATOM 1229 C ASN A 78 25.318 5.954 -4.534 1.00 0.00 C ATOM 1230 O ASN A 78 24.378 5.340 -5.039 1.00 0.00 O ATOM 1231 CB ASN A 78 26.933 4.529 -3.261 1.00 0.00 C ATOM 1232 CG ASN A 78 27.380 3.113 -3.570 1.00 0.00 C ATOM 1233 OD1 ASN A 78 26.675 2.360 -4.242 1.00 0.00 O ATOM 1234 ND2 ASN A 78 28.557 2.744 -3.078 1.00 0.00 N ATOM 0 H ASN A 78 28.360 6.462 -3.807 1.00 0.00 H new ATOM 0 HA ASN A 78 26.835 4.722 -5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 78 27.678 5.012 -2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.003 4.498 -2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 78 28.910 1.803 -3.252 1.00 0.00 H new ATOM 0 HD22 ASN A 78 29.108 3.402 -2.526 1.00 0.00 H new ATOM 1241 N VAL A 79 25.181 7.150 -3.971 1.00 0.00 N ATOM 1242 CA VAL A 79 23.890 7.825 -3.915 1.00 0.00 C ATOM 1243 C VAL A 79 23.769 8.874 -5.015 1.00 0.00 C ATOM 1244 O VAL A 79 22.914 9.756 -4.955 1.00 0.00 O ATOM 1245 CB VAL A 79 23.669 8.502 -2.549 1.00 0.00 C ATOM 1246 CG1 VAL A 79 23.688 7.470 -1.432 1.00 0.00 C ATOM 1247 CG2 VAL A 79 24.721 9.576 -2.311 1.00 0.00 C ATOM 0 H VAL A 79 25.948 7.672 -3.547 1.00 0.00 H new ATOM 0 HA VAL A 79 23.127 7.060 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 79 22.689 8.979 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.530 7.967 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 79 22.895 6.741 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 79 24.652 6.962 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 79 24.550 10.044 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 79 25.713 9.124 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 79 24.655 10.330 -3.095 1.00 0.00 H new ATOM 1257 N GLY A 80 24.632 8.770 -6.021 1.00 0.00 N ATOM 1258 CA GLY A 80 24.605 9.716 -7.122 1.00 0.00 C ATOM 1259 C GLY A 80 25.260 11.036 -6.768 1.00 0.00 C ATOM 1260 O GLY A 80 25.310 11.952 -7.588 1.00 0.00 O ATOM 0 H GLY A 80 25.349 8.048 -6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 80 25.113 9.281 -7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 80 23.571 9.895 -7.418 1.00 0.00 H new ATOM 1264 N PHE A 81 25.763 11.136 -5.541 1.00 0.00 N ATOM 1265 CA PHE A 81 26.416 12.355 -5.079 1.00 0.00 C ATOM 1266 C PHE A 81 27.876 12.391 -5.522 1.00 0.00 C ATOM 1267 O PHE A 81 28.677 11.544 -5.127 1.00 0.00 O ATOM 1268 CB PHE A 81 26.330 12.458 -3.555 1.00 0.00 C ATOM 1269 CG PHE A 81 25.032 13.034 -3.065 1.00 0.00 C ATOM 1270 CD1 PHE A 81 23.823 12.546 -3.533 1.00 0.00 C ATOM 1271 CD2 PHE A 81 25.022 14.061 -2.136 1.00 0.00 C ATOM 1272 CE1 PHE A 81 22.627 13.075 -3.084 1.00 0.00 C ATOM 1273 CE2 PHE A 81 23.829 14.594 -1.683 1.00 0.00 C ATOM 1274 CZ PHE A 81 22.630 14.099 -2.157 1.00 0.00 C ATOM 0 H PHE A 81 25.731 10.387 -4.849 1.00 0.00 H new ATOM 0 HA PHE A 81 25.899 13.206 -5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 81 26.464 11.466 -3.124 1.00 0.00 H new ATOM 0 HB3 PHE A 81 27.152 13.076 -3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 81 23.814 11.744 -4.256 1.00 0.00 H new ATOM 0 HD2 PHE A 81 25.957 14.450 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 81 21.691 12.688 -3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 81 23.835 15.396 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.697 14.512 -1.804 1.00 0.00 H new ATOM 1284 N ASP A 82 28.213 13.378 -6.345 1.00 0.00 N ATOM 1285 CA ASP A 82 29.577 13.526 -6.841 1.00 0.00 C ATOM 1286 C ASP A 82 30.433 14.310 -5.852 1.00 0.00 C ATOM 1287 O ASP A 82 31.639 14.083 -5.743 1.00 0.00 O ATOM 1288 CB ASP A 82 29.573 14.229 -8.200 1.00 0.00 C ATOM 1289 CG ASP A 82 30.936 14.210 -8.865 1.00 0.00 C ATOM 1290 OD1 ASP A 82 31.815 13.458 -8.394 1.00 0.00 O ATOM 1291 OD2 ASP A 82 31.123 14.946 -9.856 1.00 0.00 O ATOM 0 H ASP A 82 27.562 14.087 -6.683 1.00 0.00 H new ATOM 0 HA ASP A 82 30.006 12.531 -6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 82 28.846 13.746 -8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 82 29.249 15.262 -8.071 1.00 0.00 H new ATOM 1296 N ASP A 83 29.803 15.232 -5.132 1.00 0.00 N ATOM 1297 CA ASP A 83 30.508 16.049 -4.151 1.00 0.00 C ATOM 1298 C ASP A 83 30.432 15.419 -2.764 1.00 0.00 C ATOM 1299 O ASP A 83 29.348 15.246 -2.209 1.00 0.00 O ATOM 1300 CB ASP A 83 29.920 17.461 -4.116 1.00 0.00 C ATOM 1301 CG ASP A 83 30.388 18.312 -5.280 1.00 0.00 C ATOM 1302 OD1 ASP A 83 31.589 18.250 -5.615 1.00 0.00 O ATOM 1303 OD2 ASP A 83 29.553 19.041 -5.856 1.00 0.00 O ATOM 0 H ASP A 83 28.806 15.432 -5.209 1.00 0.00 H new ATOM 0 HA ASP A 83 31.555 16.106 -4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 83 28.832 17.399 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 83 30.200 17.945 -3.180 1.00 0.00 H new ATOM 1308 N GLN A 84 31.592 15.077 -2.212 1.00 0.00 N ATOM 1309 CA GLN A 84 31.656 14.464 -0.890 1.00 0.00 C ATOM 1310 C GLN A 84 31.126 15.415 0.177 1.00 0.00 C ATOM 1311 O GLN A 84 30.409 15.003 1.090 1.00 0.00 O ATOM 1312 CB GLN A 84 33.094 14.060 -0.562 1.00 0.00 C ATOM 1313 CG GLN A 84 33.257 13.464 0.827 1.00 0.00 C ATOM 1314 CD GLN A 84 34.710 13.333 1.240 1.00 0.00 C ATOM 1315 OE1 GLN A 84 35.588 13.118 0.404 1.00 0.00 O ATOM 1316 NE2 GLN A 84 34.972 13.463 2.535 1.00 0.00 N ATOM 0 H GLN A 84 32.499 15.214 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 84 31.029 13.573 -0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 84 33.437 13.336 -1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.738 14.935 -0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 84 32.733 14.089 1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 84 32.786 12.482 0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 84 34.214 13.641 3.193 1.00 0.00 H new ATOM 0 HE22 GLN A 84 35.932 13.385 2.871 1.00 0.00 H new ATOM 1325 N LEU A 85 31.483 16.689 0.058 1.00 0.00 N ATOM 1326 CA LEU A 85 31.043 17.700 1.013 1.00 0.00 C ATOM 1327 C LEU A 85 29.544 17.954 0.886 1.00 0.00 C ATOM 1328 O LEU A 85 28.869 18.254 1.871 1.00 0.00 O ATOM 1329 CB LEU A 85 31.813 19.003 0.797 1.00 0.00 C ATOM 1330 CG LEU A 85 33.177 19.099 1.483 1.00 0.00 C ATOM 1331 CD1 LEU A 85 33.899 20.369 1.060 1.00 0.00 C ATOM 1332 CD2 LEU A 85 33.017 19.052 2.995 1.00 0.00 C ATOM 0 H LEU A 85 32.076 17.047 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 85 31.245 17.328 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.957 19.143 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 85 31.194 19.829 1.146 1.00 0.00 H new ATOM 0 HG LEU A 85 33.779 18.244 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 85 34.867 20.420 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 85 34.046 20.361 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 85 33.302 21.237 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 85 33.997 19.121 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 85 32.397 19.887 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 85 32.542 18.114 3.282 1.00 0.00 H new ATOM 1344 N TYR A 86 29.030 17.830 -0.333 1.00 0.00 N ATOM 1345 CA TYR A 86 27.611 18.046 -0.589 1.00 0.00 C ATOM 1346 C TYR A 86 26.757 17.075 0.219 1.00 0.00 C ATOM 1347 O TYR A 86 25.794 17.473 0.875 1.00 0.00 O ATOM 1348 CB TYR A 86 27.311 17.888 -2.081 1.00 0.00 C ATOM 1349 CG TYR A 86 25.834 17.861 -2.402 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.934 18.645 -1.691 1.00 0.00 C ATOM 1351 CD2 TYR A 86 25.338 17.051 -3.416 1.00 0.00 C ATOM 1352 CE1 TYR A 86 23.583 18.623 -1.981 1.00 0.00 C ATOM 1353 CE2 TYR A 86 23.990 17.023 -3.713 1.00 0.00 C ATOM 1354 CZ TYR A 86 23.116 17.810 -2.993 1.00 0.00 C ATOM 1355 OH TYR A 86 21.772 17.786 -3.285 1.00 0.00 O ATOM 0 H TYR A 86 29.575 17.581 -1.159 1.00 0.00 H new ATOM 0 HA TYR A 86 27.363 19.062 -0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 86 27.778 18.709 -2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.769 16.966 -2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 86 25.296 19.283 -0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 86 26.019 16.432 -3.982 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.897 19.239 -1.419 1.00 0.00 H new ATOM 0 HE2 TYR A 86 23.622 16.388 -4.505 1.00 0.00 H new ATOM 0 HH TYR A 86 21.609 17.163 -4.024 1.00 0.00 H new ATOM 1365 N PHE A 87 27.117 15.796 0.167 1.00 0.00 N ATOM 1366 CA PHE A 87 26.384 14.766 0.893 1.00 0.00 C ATOM 1367 C PHE A 87 26.431 15.023 2.396 1.00 0.00 C ATOM 1368 O PHE A 87 25.410 14.953 3.080 1.00 0.00 O ATOM 1369 CB PHE A 87 26.964 13.384 0.582 1.00 0.00 C ATOM 1370 CG PHE A 87 26.396 12.289 1.441 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.067 11.916 1.322 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.193 11.633 2.366 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.543 10.910 2.111 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.674 10.626 3.157 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.347 10.263 3.029 1.00 0.00 C ATOM 0 H PHE A 87 27.912 15.449 -0.370 1.00 0.00 H new ATOM 0 HA PHE A 87 25.344 14.798 0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 87 26.777 13.147 -0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 87 28.046 13.414 0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.434 12.417 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.231 11.912 2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.505 10.630 2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.305 10.123 3.875 1.00 0.00 H new ATOM 0 HZ PHE A 87 24.939 9.475 3.645 1.00 0.00 H new ATOM 1385 N SER A 88 27.623 15.319 2.904 1.00 0.00 N ATOM 1386 CA SER A 88 27.804 15.582 4.326 1.00 0.00 C ATOM 1387 C SER A 88 27.062 16.849 4.744 1.00 0.00 C ATOM 1388 O SER A 88 26.514 16.926 5.843 1.00 0.00 O ATOM 1389 CB SER A 88 29.292 15.717 4.656 1.00 0.00 C ATOM 1390 OG SER A 88 30.067 14.805 3.897 1.00 0.00 O ATOM 0 H SER A 88 28.478 15.383 2.351 1.00 0.00 H new ATOM 0 HA SER A 88 27.391 14.740 4.881 1.00 0.00 H new ATOM 0 HB2 SER A 88 29.622 16.736 4.453 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.450 15.536 5.719 1.00 0.00 H new ATOM 0 HG SER A 88 30.177 15.148 2.986 1.00 0.00 H new ATOM 1396 N ARG A 89 27.050 17.839 3.857 1.00 0.00 N ATOM 1397 CA ARG A 89 26.377 19.102 4.133 1.00 0.00 C ATOM 1398 C ARG A 89 24.878 18.890 4.325 1.00 0.00 C ATOM 1399 O ARG A 89 24.301 19.329 5.320 1.00 0.00 O ATOM 1400 CB ARG A 89 26.620 20.093 2.992 1.00 0.00 C ATOM 1401 CG ARG A 89 27.855 20.957 3.189 1.00 0.00 C ATOM 1402 CD ARG A 89 28.286 21.617 1.889 1.00 0.00 C ATOM 1403 NE ARG A 89 27.456 22.773 1.560 1.00 0.00 N ATOM 1404 CZ ARG A 89 27.514 23.929 2.212 1.00 0.00 C ATOM 1405 NH1 ARG A 89 28.359 24.082 3.222 1.00 0.00 N ATOM 1406 NH2 ARG A 89 26.726 24.934 1.854 1.00 0.00 N ATOM 0 H ARG A 89 27.498 17.791 2.942 1.00 0.00 H new ATOM 0 HA ARG A 89 26.790 19.510 5.056 1.00 0.00 H new ATOM 0 HB2 ARG A 89 26.718 19.541 2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 89 25.748 20.739 2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 89 27.649 21.723 3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 89 28.670 20.346 3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 89 29.327 21.929 1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 89 28.233 20.890 1.078 1.00 0.00 H new ATOM 0 HE ARG A 89 26.796 22.688 0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 89 28.966 23.311 3.500 1.00 0.00 H new ATOM 0 HH12 ARG A 89 28.402 24.971 3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 89 26.075 24.820 1.077 1.00 0.00 H new ATOM 0 HH22 ARG A 89 26.771 25.821 2.355 1.00 0.00 H new ATOM 1420 N VAL A 90 24.254 18.213 3.367 1.00 0.00 N ATOM 1421 CA VAL A 90 22.823 17.941 3.431 1.00 0.00 C ATOM 1422 C VAL A 90 22.507 16.909 4.508 1.00 0.00 C ATOM 1423 O VAL A 90 21.511 17.025 5.221 1.00 0.00 O ATOM 1424 CB VAL A 90 22.286 17.436 2.078 1.00 0.00 C ATOM 1425 CG1 VAL A 90 23.002 16.161 1.662 1.00 0.00 C ATOM 1426 CG2 VAL A 90 20.783 17.215 2.151 1.00 0.00 C ATOM 0 H VAL A 90 24.717 17.843 2.537 1.00 0.00 H new ATOM 0 HA VAL A 90 22.333 18.883 3.679 1.00 0.00 H new ATOM 0 HB VAL A 90 22.482 18.196 1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 90 22.610 15.819 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 90 24.070 16.358 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 90 22.841 15.391 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 90 20.420 16.858 1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.561 16.474 2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.289 18.154 2.400 1.00 0.00 H new ATOM 1436 N PHE A 91 23.363 15.898 4.620 1.00 0.00 N ATOM 1437 CA PHE A 91 23.176 14.844 5.609 1.00 0.00 C ATOM 1438 C PHE A 91 23.316 15.396 7.025 1.00 0.00 C ATOM 1439 O PHE A 91 22.618 14.966 7.944 1.00 0.00 O ATOM 1440 CB PHE A 91 24.189 13.719 5.386 1.00 0.00 C ATOM 1441 CG PHE A 91 23.985 12.539 6.293 1.00 0.00 C ATOM 1442 CD1 PHE A 91 22.741 11.939 6.401 1.00 0.00 C ATOM 1443 CD2 PHE A 91 25.037 12.031 7.038 1.00 0.00 C ATOM 1444 CE1 PHE A 91 22.550 10.853 7.234 1.00 0.00 C ATOM 1445 CE2 PHE A 91 24.852 10.946 7.872 1.00 0.00 C ATOM 1446 CZ PHE A 91 23.607 10.356 7.971 1.00 0.00 C ATOM 0 H PHE A 91 24.193 15.787 4.038 1.00 0.00 H new ATOM 0 HA PHE A 91 22.169 14.445 5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 91 24.127 13.386 4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 91 25.195 14.112 5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 91 21.911 12.324 5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 91 26.013 12.489 6.966 1.00 0.00 H new ATOM 0 HE1 PHE A 91 21.575 10.394 7.309 1.00 0.00 H new ATOM 0 HE2 PHE A 91 25.680 10.559 8.447 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.460 9.508 8.623 1.00 0.00 H new ATOM 1456 N LYS A 92 24.224 16.351 7.194 1.00 0.00 N ATOM 1457 CA LYS A 92 24.458 16.963 8.497 1.00 0.00 C ATOM 1458 C LYS A 92 23.174 17.574 9.049 1.00 0.00 C ATOM 1459 O LYS A 92 22.815 17.351 10.205 1.00 0.00 O ATOM 1460 CB LYS A 92 25.541 18.039 8.390 1.00 0.00 C ATOM 1461 CG LYS A 92 25.838 18.736 9.707 1.00 0.00 C ATOM 1462 CD LYS A 92 26.539 20.066 9.488 1.00 0.00 C ATOM 1463 CE LYS A 92 25.556 21.226 9.524 1.00 0.00 C ATOM 1464 NZ LYS A 92 26.250 22.543 9.467 1.00 0.00 N ATOM 0 H LYS A 92 24.810 16.718 6.445 1.00 0.00 H new ATOM 0 HA LYS A 92 24.793 16.184 9.182 1.00 0.00 H new ATOM 0 HB2 LYS A 92 26.458 17.584 8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 92 25.231 18.783 7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 92 24.908 18.899 10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 92 26.462 18.093 10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 92 27.300 20.208 10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 92 27.054 20.053 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.865 21.143 8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.960 21.169 10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.546 23.308 9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 26.891 22.633 10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 26.799 22.608 8.586 1.00 0.00 H new ATOM 1478 N LYS A 93 22.483 18.343 8.214 1.00 0.00 N ATOM 1479 CA LYS A 93 21.237 18.984 8.617 1.00 0.00 C ATOM 1480 C LYS A 93 20.091 17.978 8.640 1.00 0.00 C ATOM 1481 O LYS A 93 19.111 18.156 9.365 1.00 0.00 O ATOM 1482 CB LYS A 93 20.900 20.134 7.666 1.00 0.00 C ATOM 1483 CG LYS A 93 21.763 21.367 7.873 1.00 0.00 C ATOM 1484 CD LYS A 93 21.944 22.144 6.580 1.00 0.00 C ATOM 1485 CE LYS A 93 20.617 22.671 6.055 1.00 0.00 C ATOM 1486 NZ LYS A 93 20.803 23.842 5.154 1.00 0.00 N ATOM 0 H LYS A 93 22.765 18.537 7.253 1.00 0.00 H new ATOM 0 HA LYS A 93 21.371 19.380 9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 93 21.014 19.790 6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.853 20.407 7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.305 22.011 8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 93 22.738 21.069 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 93 22.627 22.977 6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 93 22.404 21.501 5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.098 21.878 5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.982 22.955 6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.876 24.172 4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.275 24.609 5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.388 23.564 4.340 1.00 0.00 H new ATOM 1500 N CYS A 94 20.221 16.921 7.845 1.00 0.00 N ATOM 1501 CA CYS A 94 19.195 15.886 7.776 1.00 0.00 C ATOM 1502 C CYS A 94 18.966 15.254 9.145 1.00 0.00 C ATOM 1503 O CYS A 94 17.830 15.139 9.606 1.00 0.00 O ATOM 1504 CB CYS A 94 19.595 14.810 6.765 1.00 0.00 C ATOM 1505 SG CYS A 94 19.051 15.148 5.074 1.00 0.00 S ATOM 0 H CYS A 94 21.026 16.758 7.240 1.00 0.00 H new ATOM 0 HA CYS A 94 18.265 16.352 7.452 1.00 0.00 H new ATOM 0 HB2 CYS A 94 20.680 14.705 6.772 1.00 0.00 H new ATOM 0 HB3 CYS A 94 19.180 13.854 7.085 1.00 0.00 H new ATOM 0 HG CYS A 94 19.438 14.184 4.293 1.00 0.00 H new ATOM 1511 N THR A 95 20.054 14.845 9.791 1.00 0.00 N ATOM 1512 CA THR A 95 19.972 14.222 11.106 1.00 0.00 C ATOM 1513 C THR A 95 20.425 15.184 12.199 1.00 0.00 C ATOM 1514 O THR A 95 20.251 14.915 13.387 1.00 0.00 O ATOM 1515 CB THR A 95 20.827 12.943 11.177 1.00 0.00 C ATOM 1516 OG1 THR A 95 22.178 13.236 10.800 1.00 0.00 O ATOM 1517 CG2 THR A 95 20.263 11.864 10.265 1.00 0.00 C ATOM 0 H THR A 95 21.002 14.934 9.425 1.00 0.00 H new ATOM 0 HA THR A 95 18.926 13.960 11.266 1.00 0.00 H new ATOM 0 HB THR A 95 20.808 12.575 12.203 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.716 12.418 10.849 1.00 0.00 H new ATOM 0 HG21 THR A 95 20.883 10.970 10.332 1.00 0.00 H new ATOM 0 HG22 THR A 95 19.245 11.623 10.572 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.256 12.224 9.236 1.00 0.00 H new ATOM 1525 N GLY A 96 21.007 16.307 11.789 1.00 0.00 N ATOM 1526 CA GLY A 96 21.476 17.292 12.746 1.00 0.00 C ATOM 1527 C GLY A 96 22.950 17.135 13.064 1.00 0.00 C ATOM 1528 O GLY A 96 23.542 17.986 13.727 1.00 0.00 O ATOM 0 H GLY A 96 21.162 16.552 10.811 1.00 0.00 H new ATOM 0 HA2 GLY A 96 21.297 18.292 12.351 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.898 17.205 13.666 1.00 0.00 H new ATOM 1532 N ALA A 97 23.543 16.044 12.593 1.00 0.00 N ATOM 1533 CA ALA A 97 24.956 15.779 12.830 1.00 0.00 C ATOM 1534 C ALA A 97 25.634 15.245 11.573 1.00 0.00 C ATOM 1535 O ALA A 97 25.007 14.568 10.758 1.00 0.00 O ATOM 1536 CB ALA A 97 25.123 14.796 13.980 1.00 0.00 C ATOM 0 H ALA A 97 23.066 15.328 12.044 1.00 0.00 H new ATOM 0 HA ALA A 97 25.436 16.720 13.098 1.00 0.00 H new ATOM 0 HB1 ALA A 97 26.184 14.607 14.146 1.00 0.00 H new ATOM 0 HB2 ALA A 97 24.683 15.216 14.885 1.00 0.00 H new ATOM 0 HB3 ALA A 97 24.622 13.860 13.734 1.00 0.00 H new ATOM 1542 N SER A 98 26.917 15.555 11.421 1.00 0.00 N ATOM 1543 CA SER A 98 27.679 15.111 10.260 1.00 0.00 C ATOM 1544 C SER A 98 27.810 13.591 10.246 1.00 0.00 C ATOM 1545 O SER A 98 27.603 12.915 11.254 1.00 0.00 O ATOM 1546 CB SER A 98 29.067 15.754 10.257 1.00 0.00 C ATOM 1547 OG SER A 98 29.417 16.216 11.550 1.00 0.00 O ATOM 0 H SER A 98 27.451 16.112 12.088 1.00 0.00 H new ATOM 0 HA SER A 98 27.142 15.421 9.364 1.00 0.00 H new ATOM 0 HB2 SER A 98 29.806 15.030 9.914 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.084 16.586 9.553 1.00 0.00 H new ATOM 0 HG SER A 98 30.309 16.621 11.522 1.00 0.00 H new ATOM 1553 N PRO A 99 28.164 13.039 9.076 1.00 0.00 N ATOM 1554 CA PRO A 99 28.332 11.593 8.901 1.00 0.00 C ATOM 1555 C PRO A 99 29.557 11.059 9.635 1.00 0.00 C ATOM 1556 O PRO A 99 29.565 9.920 10.103 1.00 0.00 O ATOM 1557 CB PRO A 99 28.505 11.436 7.388 1.00 0.00 C ATOM 1558 CG PRO A 99 29.040 12.749 6.930 1.00 0.00 C ATOM 1559 CD PRO A 99 28.428 13.784 7.833 1.00 0.00 C ATOM 0 HA PRO A 99 27.490 11.033 9.308 1.00 0.00 H new ATOM 0 HB2 PRO A 99 29.192 10.624 7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.557 11.204 6.903 1.00 0.00 H new ATOM 0 HG2 PRO A 99 30.128 12.770 6.993 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.777 12.935 5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 99 29.106 14.621 8.002 1.00 0.00 H new ATOM 0 HD3 PRO A 99 27.512 14.196 7.409 1.00 0.00 H new ATOM 1567 N SER A 100 30.591 11.888 9.732 1.00 0.00 N ATOM 1568 CA SER A 100 31.824 11.497 10.407 1.00 0.00 C ATOM 1569 C SER A 100 31.591 11.321 11.905 1.00 0.00 C ATOM 1570 O SER A 100 32.200 10.463 12.541 1.00 0.00 O ATOM 1571 CB SER A 100 32.914 12.543 10.169 1.00 0.00 C ATOM 1572 OG SER A 100 34.117 12.184 10.826 1.00 0.00 O ATOM 0 H SER A 100 30.600 12.835 9.352 1.00 0.00 H new ATOM 0 HA SER A 100 32.149 10.543 9.993 1.00 0.00 H new ATOM 0 HB2 SER A 100 33.097 12.646 9.099 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.575 13.514 10.529 1.00 0.00 H new ATOM 0 HG SER A 100 34.799 12.868 10.657 1.00 0.00 H new ATOM 1578 N GLU A 101 30.704 12.141 12.460 1.00 0.00 N ATOM 1579 CA GLU A 101 30.390 12.077 13.882 1.00 0.00 C ATOM 1580 C GLU A 101 29.518 10.864 14.193 1.00 0.00 C ATOM 1581 O GLU A 101 29.789 10.114 15.131 1.00 0.00 O ATOM 1582 CB GLU A 101 29.681 13.357 14.330 1.00 0.00 C ATOM 1583 CG GLU A 101 29.517 13.467 15.836 1.00 0.00 C ATOM 1584 CD GLU A 101 30.638 14.253 16.489 1.00 0.00 C ATOM 1585 OE1 GLU A 101 31.811 13.856 16.330 1.00 0.00 O ATOM 1586 OE2 GLU A 101 30.342 15.265 17.159 1.00 0.00 O ATOM 0 H GLU A 101 30.190 12.857 11.946 1.00 0.00 H new ATOM 0 HA GLU A 101 31.327 11.979 14.430 1.00 0.00 H new ATOM 0 HB2 GLU A 101 30.244 14.219 13.970 1.00 0.00 H new ATOM 0 HB3 GLU A 101 28.698 13.400 13.862 1.00 0.00 H new ATOM 0 HG2 GLU A 101 28.564 13.946 16.060 1.00 0.00 H new ATOM 0 HG3 GLU A 101 29.480 12.467 16.268 1.00 0.00 H new ATOM 1593 N PHE A 102 28.469 10.679 13.399 1.00 0.00 N ATOM 1594 CA PHE A 102 27.555 9.558 13.589 1.00 0.00 C ATOM 1595 C PHE A 102 28.298 8.229 13.499 1.00 0.00 C ATOM 1596 O PHE A 102 28.012 7.294 14.247 1.00 0.00 O ATOM 1597 CB PHE A 102 26.437 9.602 12.546 1.00 0.00 C ATOM 1598 CG PHE A 102 25.188 8.887 12.975 1.00 0.00 C ATOM 1599 CD1 PHE A 102 24.294 9.487 13.848 1.00 0.00 C ATOM 1600 CD2 PHE A 102 24.907 7.613 12.507 1.00 0.00 C ATOM 1601 CE1 PHE A 102 23.144 8.832 14.245 1.00 0.00 C ATOM 1602 CE2 PHE A 102 23.758 6.953 12.900 1.00 0.00 C ATOM 1603 CZ PHE A 102 22.876 7.562 13.771 1.00 0.00 C ATOM 0 H PHE A 102 28.230 11.290 12.618 1.00 0.00 H new ATOM 0 HA PHE A 102 27.118 9.643 14.584 1.00 0.00 H new ATOM 0 HB2 PHE A 102 26.194 10.642 12.329 1.00 0.00 H new ATOM 0 HB3 PHE A 102 26.799 9.159 11.618 1.00 0.00 H new ATOM 0 HD1 PHE A 102 24.499 10.479 14.223 1.00 0.00 H new ATOM 0 HD2 PHE A 102 25.594 7.130 11.827 1.00 0.00 H new ATOM 0 HE1 PHE A 102 22.456 9.312 14.925 1.00 0.00 H new ATOM 0 HE2 PHE A 102 23.550 5.961 12.526 1.00 0.00 H new ATOM 0 HZ PHE A 102 21.979 7.047 14.081 1.00 0.00 H new ATOM 1613 N ARG A 103 29.253 8.153 12.578 1.00 0.00 N ATOM 1614 CA ARG A 103 30.037 6.938 12.388 1.00 0.00 C ATOM 1615 C ARG A 103 30.835 6.604 13.645 1.00 0.00 C ATOM 1616 O ARG A 103 30.986 5.437 14.005 1.00 0.00 O ATOM 1617 CB ARG A 103 30.983 7.097 11.197 1.00 0.00 C ATOM 1618 CG ARG A 103 30.588 6.263 9.990 1.00 0.00 C ATOM 1619 CD ARG A 103 31.264 6.762 8.722 1.00 0.00 C ATOM 1620 NE ARG A 103 31.996 5.700 8.038 1.00 0.00 N ATOM 1621 CZ ARG A 103 33.177 5.244 8.440 1.00 0.00 C ATOM 1622 NH1 ARG A 103 33.757 5.754 9.518 1.00 0.00 N ATOM 1623 NH2 ARG A 103 33.781 4.274 7.764 1.00 0.00 N ATOM 0 H ARG A 103 29.503 8.918 11.952 1.00 0.00 H new ATOM 0 HA ARG A 103 29.347 6.118 12.188 1.00 0.00 H new ATOM 0 HB2 ARG A 103 31.015 8.147 10.907 1.00 0.00 H new ATOM 0 HB3 ARG A 103 31.991 6.820 11.505 1.00 0.00 H new ATOM 0 HG2 ARG A 103 30.859 5.221 10.162 1.00 0.00 H new ATOM 0 HG3 ARG A 103 29.506 6.294 9.863 1.00 0.00 H new ATOM 0 HD2 ARG A 103 30.513 7.176 8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 103 31.949 7.572 8.971 1.00 0.00 H new ATOM 0 HE ARG A 103 31.577 5.285 7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 103 33.296 6.499 10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 103 34.664 5.402 9.824 1.00 0.00 H new ATOM 0 HH21 ARG A 103 33.338 3.878 6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 103 34.688 3.925 8.074 1.00 0.00 H new ATOM 1637 N ALA A 104 31.345 7.637 14.308 1.00 0.00 N ATOM 1638 CA ALA A 104 32.126 7.454 15.525 1.00 0.00 C ATOM 1639 C ALA A 104 31.293 6.795 16.618 1.00 0.00 C ATOM 1640 O ALA A 104 31.798 5.984 17.393 1.00 0.00 O ATOM 1641 CB ALA A 104 32.673 8.789 16.007 1.00 0.00 C ATOM 0 H ALA A 104 31.231 8.610 14.022 1.00 0.00 H new ATOM 0 HA ALA A 104 32.962 6.794 15.295 1.00 0.00 H new ATOM 0 HB1 ALA A 104 33.254 8.637 16.917 1.00 0.00 H new ATOM 0 HB2 ALA A 104 33.312 9.220 15.236 1.00 0.00 H new ATOM 0 HB3 ALA A 104 31.846 9.468 16.214 1.00 0.00 H new ATOM 1647 N GLY A 105 30.013 7.150 16.676 1.00 0.00 N ATOM 1648 CA GLY A 105 29.130 6.585 17.679 1.00 0.00 C ATOM 1649 C GLY A 105 29.163 7.358 18.983 1.00 0.00 C ATOM 1650 O GLY A 105 28.354 7.113 19.878 1.00 0.00 O ATOM 0 H GLY A 105 29.572 7.819 16.045 1.00 0.00 H new ATOM 0 HA2 GLY A 105 28.110 6.571 17.294 1.00 0.00 H new ATOM 0 HA3 GLY A 105 29.414 5.550 17.867 1.00 0.00 H new ATOM 1654 N CYS A 106 30.101 8.292 19.091 1.00 0.00 N ATOM 1655 CA CYS A 106 30.238 9.102 20.296 1.00 0.00 C ATOM 1656 C CYS A 106 28.921 9.787 20.643 1.00 0.00 C ATOM 1657 O CYS A 106 28.232 10.308 19.767 1.00 0.00 O ATOM 1658 CB CYS A 106 31.338 10.148 20.110 1.00 0.00 C ATOM 1659 SG CYS A 106 30.987 11.367 18.821 1.00 0.00 S ATOM 0 H CYS A 106 30.778 8.507 18.359 1.00 0.00 H new ATOM 0 HA CYS A 106 30.511 8.442 21.119 1.00 0.00 H new ATOM 0 HB2 CYS A 106 31.493 10.669 21.055 1.00 0.00 H new ATOM 0 HB3 CYS A 106 32.271 9.639 19.870 1.00 0.00 H new ATOM 0 HG CYS A 106 29.702 11.459 18.649 1.00 0.00 H new