USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 773 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 39 HIS : no HE2:sc= -11.2! C(o=-23!,f=-24!) USER MOD Set 1.2: A 89 CYS SG : rot 5:sc= 1.59 USER MOD Set 1.3: A 92 HIS : no HE2:sc= -13.7! C(o=-23!,f=-26!) USER MOD Single : A 2 THR OG1 : rot 1:sc= 0.835 USER MOD Single : A 3 TYR OH : rot 121:sc= 0.17 USER MOD Single : A 4 THR OG1 : rot -28:sc= 0.453 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 134:sc= 0.376 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.037) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -5.95! C(o=-5.9!,f=-23!) USER MOD Single : A 34 ASN : amide:sc= -2.93! X(o=-2.9!,f=-3.1) USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00587) USER MOD Single : A 40 ASN : amide:sc= -0.0204 X(o=-0.02,f=-0.08) USER MOD Single : A 48 ASN : amide:sc= -3.04! C(o=-3!,f=-11!) USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= -0.0313 (180deg=-1.17) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -54:sc= 0.554 USER MOD Single : A 60 SER OG : rot 160:sc= 0.156 USER MOD Single : A 61 HIS : no HE2:sc= -7.69! C(o=-7.7!,f=-10!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc=-0.000665 K(o=-0.00066,f=-0.85) USER MOD Single : A 66 MET CE :methyl 160:sc= -0.137 (180deg=-0.536) USER MOD Single : A 67 SER OG : rot 170:sc= -0.259 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 71 SER OG : rot -54:sc= -0.362! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 74 THR OG1 : rot -34:sc= 0.379 USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.00257 USER MOD Single : A 85 TYR OH : rot -47:sc= -0.664 USER MOD Single : A 86 THR OG1 : rot 173:sc= -4.53! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -120:sc= -13.7! (180deg=-19.3!) USER MOD Single : A 100 LYS NZ :NH3+ 165:sc= 0.0855 (180deg=-0.0336) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 2.589 14.129 2.344 1.00 0.00 N ATOM 19 CA THR A 2 1.680 13.008 2.715 1.00 0.00 C ATOM 20 C THR A 2 0.839 12.611 1.501 1.00 0.00 C ATOM 21 O THR A 2 0.382 13.450 0.749 1.00 0.00 O ATOM 22 CB THR A 2 0.757 13.452 3.852 1.00 0.00 C ATOM 23 OG1 THR A 2 1.082 14.781 4.233 1.00 0.00 O ATOM 24 CG2 THR A 2 0.934 12.515 5.048 1.00 0.00 C ATOM 0 HA THR A 2 2.273 12.154 3.042 1.00 0.00 H new ATOM 0 HB THR A 2 -0.279 13.416 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.811 15.114 3.669 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.277 12.831 5.858 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.682 11.496 4.753 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.969 12.549 5.387 1.00 0.00 H new ATOM 32 N TYR A 3 0.630 11.339 1.303 1.00 0.00 N ATOM 33 CA TYR A 3 -0.182 10.891 0.136 1.00 0.00 C ATOM 34 C TYR A 3 -1.439 10.176 0.634 1.00 0.00 C ATOM 35 O TYR A 3 -1.611 9.953 1.816 1.00 0.00 O ATOM 36 CB TYR A 3 0.646 9.933 -0.723 1.00 0.00 C ATOM 37 CG TYR A 3 1.879 10.645 -1.226 1.00 0.00 C ATOM 38 CD1 TYR A 3 2.901 10.990 -0.334 1.00 0.00 C ATOM 39 CD2 TYR A 3 1.999 10.961 -2.584 1.00 0.00 C ATOM 40 CE1 TYR A 3 4.044 11.651 -0.800 1.00 0.00 C ATOM 41 CE2 TYR A 3 3.142 11.621 -3.050 1.00 0.00 C ATOM 42 CZ TYR A 3 4.164 11.966 -2.158 1.00 0.00 C ATOM 43 OH TYR A 3 5.290 12.618 -2.618 1.00 0.00 O ATOM 0 H TYR A 3 0.986 10.591 1.898 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.470 11.756 -0.461 1.00 0.00 H new ATOM 0 HB2 TYR A 3 0.931 9.058 -0.139 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.051 9.575 -1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.808 10.746 0.714 1.00 0.00 H new ATOM 0 HD2 TYR A 3 1.210 10.696 -3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.832 11.918 -0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.235 11.864 -4.098 1.00 0.00 H new ATOM 0 HH TYR A 3 5.733 12.067 -3.297 1.00 0.00 H new ATOM 53 N THR A 4 -2.320 9.815 -0.258 1.00 0.00 N ATOM 54 CA THR A 4 -3.565 9.115 0.164 1.00 0.00 C ATOM 55 C THR A 4 -4.116 8.302 -1.010 1.00 0.00 C ATOM 56 O THR A 4 -4.495 8.846 -2.028 1.00 0.00 O ATOM 57 CB THR A 4 -4.607 10.148 0.600 1.00 0.00 C ATOM 58 OG1 THR A 4 -4.023 11.042 1.538 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.797 9.435 1.244 1.00 0.00 C ATOM 0 H THR A 4 -2.231 9.975 -1.261 1.00 0.00 H new ATOM 0 HA THR A 4 -3.342 8.448 0.996 1.00 0.00 H new ATOM 0 HB THR A 4 -4.950 10.708 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.305 10.584 2.023 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.538 10.172 1.554 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.245 8.751 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.457 8.874 2.114 1.00 0.00 H new ATOM 67 N VAL A 5 -4.163 7.004 -0.878 1.00 0.00 N ATOM 68 CA VAL A 5 -4.691 6.163 -1.990 1.00 0.00 C ATOM 69 C VAL A 5 -6.103 5.686 -1.642 1.00 0.00 C ATOM 70 O VAL A 5 -6.297 4.584 -1.169 1.00 0.00 O ATOM 71 CB VAL A 5 -3.782 4.948 -2.197 1.00 0.00 C ATOM 72 CG1 VAL A 5 -3.839 4.512 -3.662 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.342 5.316 -1.834 1.00 0.00 C ATOM 0 H VAL A 5 -3.859 6.491 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.718 6.754 -2.906 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.120 4.132 -1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.192 3.647 -3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.864 4.248 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.502 5.330 -4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.697 4.450 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.004 6.134 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.298 5.627 -0.790 1.00 0.00 H new ATOM 83 N LYS A 6 -7.090 6.507 -1.874 1.00 0.00 N ATOM 84 CA LYS A 6 -8.487 6.100 -1.558 1.00 0.00 C ATOM 85 C LYS A 6 -8.931 5.008 -2.534 1.00 0.00 C ATOM 86 O LYS A 6 -9.536 5.280 -3.552 1.00 0.00 O ATOM 87 CB LYS A 6 -9.412 7.312 -1.689 1.00 0.00 C ATOM 88 CG LYS A 6 -9.076 8.330 -0.597 1.00 0.00 C ATOM 89 CD LYS A 6 -9.772 9.657 -0.903 1.00 0.00 C ATOM 90 CE LYS A 6 -8.835 10.818 -0.563 1.00 0.00 C ATOM 91 NZ LYS A 6 -8.405 11.494 -1.820 1.00 0.00 N ATOM 0 H LYS A 6 -6.989 7.442 -2.269 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.535 5.717 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.296 7.767 -2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.453 7.000 -1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.396 7.955 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.997 8.477 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.052 9.698 -1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.693 9.738 -0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.341 11.529 0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.965 10.450 -0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.768 12.283 -1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.906 10.813 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.240 11.858 -2.321 1.00 0.00 H new ATOM 105 N LEU A 7 -8.634 3.772 -2.232 1.00 0.00 N ATOM 106 CA LEU A 7 -9.034 2.666 -3.138 1.00 0.00 C ATOM 107 C LEU A 7 -10.560 2.610 -3.237 1.00 0.00 C ATOM 108 O LEU A 7 -11.257 3.473 -2.742 1.00 0.00 O ATOM 109 CB LEU A 7 -8.506 1.345 -2.577 1.00 0.00 C ATOM 110 CG LEU A 7 -8.647 1.334 -1.054 1.00 0.00 C ATOM 111 CD1 LEU A 7 -9.285 0.017 -0.608 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.264 1.470 -0.414 1.00 0.00 C ATOM 0 H LEU A 7 -8.130 3.484 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.618 2.835 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.058 0.510 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.460 1.213 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.278 2.167 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.385 0.010 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.270 -0.083 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.655 -0.816 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.363 1.462 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.635 0.637 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.807 2.408 -0.730 1.00 0.00 H new ATOM 124 N GLY A 8 -11.085 1.601 -3.877 1.00 0.00 N ATOM 125 CA GLY A 8 -12.565 1.491 -4.010 1.00 0.00 C ATOM 126 C GLY A 8 -13.117 2.773 -4.635 1.00 0.00 C ATOM 127 O GLY A 8 -13.503 3.696 -3.945 1.00 0.00 O ATOM 0 H GLY A 8 -10.553 0.848 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.822 0.632 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.018 1.326 -3.032 1.00 0.00 H new ATOM 131 N SER A 9 -13.157 2.839 -5.938 1.00 0.00 N ATOM 132 CA SER A 9 -13.684 4.063 -6.605 1.00 0.00 C ATOM 133 C SER A 9 -15.139 4.283 -6.188 1.00 0.00 C ATOM 134 O SER A 9 -15.421 4.943 -5.208 1.00 0.00 O ATOM 135 CB SER A 9 -13.609 3.889 -8.121 1.00 0.00 C ATOM 136 OG SER A 9 -14.179 2.637 -8.480 1.00 0.00 O ATOM 0 H SER A 9 -12.848 2.099 -6.569 1.00 0.00 H new ATOM 0 HA SER A 9 -13.086 4.925 -6.309 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.142 4.700 -8.618 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.572 3.938 -8.453 1.00 0.00 H new ATOM 0 HG SER A 9 -14.783 2.759 -9.242 1.00 0.00 H new ATOM 142 N ASP A 10 -16.066 3.736 -6.925 1.00 0.00 N ATOM 143 CA ASP A 10 -17.500 3.915 -6.568 1.00 0.00 C ATOM 144 C ASP A 10 -18.375 3.091 -7.516 1.00 0.00 C ATOM 145 O ASP A 10 -19.506 3.440 -7.794 1.00 0.00 O ATOM 146 CB ASP A 10 -17.871 5.395 -6.684 1.00 0.00 C ATOM 147 CG ASP A 10 -19.332 5.586 -6.275 1.00 0.00 C ATOM 148 OD1 ASP A 10 -19.638 5.348 -5.118 1.00 0.00 O ATOM 149 OD2 ASP A 10 -20.119 5.967 -7.124 1.00 0.00 O ATOM 0 H ASP A 10 -15.892 3.174 -7.758 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.663 3.577 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.222 5.995 -6.046 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.720 5.740 -7.707 1.00 0.00 H new ATOM 154 N LYS A 11 -17.863 1.998 -8.014 1.00 0.00 N ATOM 155 CA LYS A 11 -18.667 1.149 -8.940 1.00 0.00 C ATOM 156 C LYS A 11 -18.763 -0.272 -8.378 1.00 0.00 C ATOM 157 O LYS A 11 -19.625 -1.041 -8.754 1.00 0.00 O ATOM 158 CB LYS A 11 -17.990 1.106 -10.312 1.00 0.00 C ATOM 159 CG LYS A 11 -18.566 2.207 -11.205 1.00 0.00 C ATOM 160 CD LYS A 11 -19.986 1.828 -11.634 1.00 0.00 C ATOM 161 CE LYS A 11 -20.231 2.306 -13.066 1.00 0.00 C ATOM 162 NZ LYS A 11 -21.511 3.068 -13.126 1.00 0.00 N ATOM 0 H LYS A 11 -16.922 1.656 -7.820 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.667 1.570 -9.040 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.914 1.239 -10.202 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.145 0.131 -10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.578 3.156 -10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.935 2.345 -12.083 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -20.120 0.748 -11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.714 2.279 -10.959 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.405 2.936 -13.396 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -20.272 1.453 -13.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -21.677 3.392 -14.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -22.295 2.453 -12.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -21.455 3.890 -12.492 1.00 0.00 H new ATOM 176 N GLY A 12 -17.882 -0.630 -7.482 1.00 0.00 N ATOM 177 CA GLY A 12 -17.922 -2.002 -6.902 1.00 0.00 C ATOM 178 C GLY A 12 -16.527 -2.626 -6.981 1.00 0.00 C ATOM 179 O GLY A 12 -16.248 -3.628 -6.354 1.00 0.00 O ATOM 0 H GLY A 12 -17.137 -0.031 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.256 -1.961 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.639 -2.618 -7.444 1.00 0.00 H new ATOM 183 N LEU A 13 -15.648 -2.038 -7.746 1.00 0.00 N ATOM 184 CA LEU A 13 -14.271 -2.593 -7.865 1.00 0.00 C ATOM 185 C LEU A 13 -13.347 -1.854 -6.896 1.00 0.00 C ATOM 186 O LEU A 13 -13.526 -0.683 -6.626 1.00 0.00 O ATOM 187 CB LEU A 13 -13.758 -2.404 -9.295 1.00 0.00 C ATOM 188 CG LEU A 13 -14.873 -2.728 -10.293 1.00 0.00 C ATOM 189 CD1 LEU A 13 -14.615 -1.985 -11.606 1.00 0.00 C ATOM 190 CD2 LEU A 13 -14.893 -4.235 -10.558 1.00 0.00 C ATOM 0 H LEU A 13 -15.825 -1.196 -8.294 1.00 0.00 H new ATOM 0 HA LEU A 13 -14.287 -3.656 -7.626 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -13.418 -1.378 -9.436 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.900 -3.052 -9.472 1.00 0.00 H new ATOM 0 HG LEU A 13 -15.833 -2.416 -9.881 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -15.409 -2.216 -12.317 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -14.596 -0.911 -11.419 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.656 -2.298 -12.019 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -15.686 -4.469 -11.268 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.933 -4.545 -10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -15.074 -4.766 -9.624 1.00 0.00 H new ATOM 202 N LEU A 14 -12.360 -2.525 -6.370 1.00 0.00 N ATOM 203 CA LEU A 14 -11.430 -1.852 -5.420 1.00 0.00 C ATOM 204 C LEU A 14 -10.062 -1.676 -6.081 1.00 0.00 C ATOM 205 O LEU A 14 -9.359 -2.632 -6.341 1.00 0.00 O ATOM 206 CB LEU A 14 -11.283 -2.703 -4.158 1.00 0.00 C ATOM 207 CG LEU A 14 -12.649 -2.862 -3.489 1.00 0.00 C ATOM 208 CD1 LEU A 14 -12.643 -4.113 -2.609 1.00 0.00 C ATOM 209 CD2 LEU A 14 -12.938 -1.633 -2.624 1.00 0.00 C ATOM 0 H LEU A 14 -12.157 -3.507 -6.556 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.831 -0.874 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.874 -3.681 -4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.581 -2.233 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.420 -2.959 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.616 -4.227 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.435 -4.989 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.873 -4.016 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.911 -1.745 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.167 -1.537 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.941 -0.740 -3.250 1.00 0.00 H new ATOM 221 N VAL A 15 -9.679 -0.459 -6.356 1.00 0.00 N ATOM 222 CA VAL A 15 -8.357 -0.221 -7.001 1.00 0.00 C ATOM 223 C VAL A 15 -7.685 0.991 -6.354 1.00 0.00 C ATOM 224 O VAL A 15 -8.309 2.007 -6.119 1.00 0.00 O ATOM 225 CB VAL A 15 -8.563 0.046 -8.493 1.00 0.00 C ATOM 226 CG1 VAL A 15 -8.898 -1.266 -9.205 1.00 0.00 C ATOM 227 CG2 VAL A 15 -9.717 1.034 -8.677 1.00 0.00 C ATOM 0 H VAL A 15 -10.225 0.381 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.724 -1.099 -6.871 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.651 0.466 -8.917 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.045 -1.076 -10.268 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.078 -1.972 -9.072 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.810 -1.687 -8.782 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.866 1.226 -9.740 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.628 0.612 -8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.480 1.969 -8.169 1.00 0.00 H new ATOM 237 N PHE A 16 -6.417 0.895 -6.066 1.00 0.00 N ATOM 238 CA PHE A 16 -5.710 2.045 -5.437 1.00 0.00 C ATOM 239 C PHE A 16 -5.906 3.294 -6.299 1.00 0.00 C ATOM 240 O PHE A 16 -5.931 3.226 -7.512 1.00 0.00 O ATOM 241 CB PHE A 16 -4.216 1.730 -5.329 1.00 0.00 C ATOM 242 CG PHE A 16 -3.973 0.835 -4.137 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.363 -0.509 -4.179 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.358 1.349 -2.989 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.139 -1.338 -3.073 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.134 0.520 -1.883 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.524 -0.824 -1.926 1.00 0.00 C ATOM 0 H PHE A 16 -5.841 0.071 -6.239 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.116 2.221 -4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.870 1.242 -6.240 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.646 2.653 -5.226 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.837 -0.906 -5.065 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.056 2.385 -2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.441 -2.374 -3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.661 0.917 -0.997 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.350 -1.464 -1.074 1.00 0.00 H new ATOM 257 N GLU A 17 -6.044 4.435 -5.682 1.00 0.00 N ATOM 258 CA GLU A 17 -6.236 5.689 -6.465 1.00 0.00 C ATOM 259 C GLU A 17 -5.491 6.833 -5.766 1.00 0.00 C ATOM 260 O GLU A 17 -5.901 7.275 -4.711 1.00 0.00 O ATOM 261 CB GLU A 17 -7.728 6.023 -6.537 1.00 0.00 C ATOM 262 CG GLU A 17 -8.432 5.026 -7.459 1.00 0.00 C ATOM 263 CD GLU A 17 -9.780 5.599 -7.899 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.780 6.500 -8.721 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.791 5.128 -7.404 1.00 0.00 O ATOM 0 H GLU A 17 -6.032 4.554 -4.669 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.847 5.556 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.168 5.986 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.866 7.038 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.811 4.820 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.580 4.078 -6.942 1.00 0.00 H new ATOM 272 N PRO A 18 -4.411 7.275 -6.364 1.00 0.00 N ATOM 273 CA PRO A 18 -3.906 6.744 -7.643 1.00 0.00 C ATOM 274 C PRO A 18 -3.206 5.396 -7.437 1.00 0.00 C ATOM 275 O PRO A 18 -2.874 5.019 -6.331 1.00 0.00 O ATOM 276 CB PRO A 18 -2.912 7.812 -8.104 1.00 0.00 C ATOM 277 CG PRO A 18 -2.486 8.591 -6.843 1.00 0.00 C ATOM 278 CD PRO A 18 -3.585 8.358 -5.795 1.00 0.00 C ATOM 0 HA PRO A 18 -4.697 6.559 -8.369 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.048 7.355 -8.587 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.370 8.478 -8.835 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.521 8.240 -6.478 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.377 9.653 -7.061 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.162 8.071 -4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.173 9.261 -5.628 1.00 0.00 H new ATOM 286 N ALA A 19 -2.984 4.669 -8.500 1.00 0.00 N ATOM 287 CA ALA A 19 -2.311 3.344 -8.379 1.00 0.00 C ATOM 288 C ALA A 19 -0.830 3.540 -8.043 1.00 0.00 C ATOM 289 O ALA A 19 -0.350 3.084 -7.024 1.00 0.00 O ATOM 290 CB ALA A 19 -2.436 2.590 -9.704 1.00 0.00 C ATOM 0 H ALA A 19 -3.241 4.937 -9.450 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.786 2.771 -7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.945 1.621 -9.619 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.490 2.443 -9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.963 3.168 -10.498 1.00 0.00 H new ATOM 296 N LYS A 20 -0.100 4.209 -8.895 1.00 0.00 N ATOM 297 CA LYS A 20 1.351 4.423 -8.626 1.00 0.00 C ATOM 298 C LYS A 20 1.522 5.554 -7.611 1.00 0.00 C ATOM 299 O LYS A 20 0.870 6.576 -7.689 1.00 0.00 O ATOM 300 CB LYS A 20 2.060 4.798 -9.929 1.00 0.00 C ATOM 301 CG LYS A 20 1.478 6.106 -10.470 1.00 0.00 C ATOM 302 CD LYS A 20 0.819 5.851 -11.826 1.00 0.00 C ATOM 303 CE LYS A 20 1.822 6.140 -12.943 1.00 0.00 C ATOM 304 NZ LYS A 20 2.648 4.924 -13.193 1.00 0.00 N ATOM 0 H LYS A 20 -0.445 4.616 -9.764 1.00 0.00 H new ATOM 0 HA LYS A 20 1.784 3.507 -8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.130 4.909 -9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.938 4.002 -10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.747 6.508 -9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.266 6.852 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.478 4.818 -11.888 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.061 6.485 -11.940 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.296 6.430 -13.853 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.462 6.977 -12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.260 5.084 -14.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.236 4.726 -12.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.024 4.112 -13.377 1.00 0.00 H new ATOM 318 N LEU A 21 2.392 5.378 -6.655 1.00 0.00 N ATOM 319 CA LEU A 21 2.600 6.441 -5.633 1.00 0.00 C ATOM 320 C LEU A 21 4.088 6.790 -5.544 1.00 0.00 C ATOM 321 O LEU A 21 4.888 6.017 -5.057 1.00 0.00 O ATOM 322 CB LEU A 21 2.120 5.935 -4.268 1.00 0.00 C ATOM 323 CG LEU A 21 0.788 6.596 -3.900 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.899 8.113 -4.066 1.00 0.00 C ATOM 325 CD2 LEU A 21 -0.316 6.060 -4.814 1.00 0.00 C ATOM 0 H LEU A 21 2.968 4.544 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 21 2.035 7.329 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.002 4.852 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.867 6.156 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 21 0.546 6.366 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.051 8.578 -3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.683 8.494 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.144 8.349 -5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.264 6.530 -4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.072 6.288 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.399 4.980 -4.689 1.00 0.00 H new ATOM 337 N THR A 22 4.464 7.954 -6.002 1.00 0.00 N ATOM 338 CA THR A 22 5.897 8.352 -5.930 1.00 0.00 C ATOM 339 C THR A 22 6.151 9.042 -4.589 1.00 0.00 C ATOM 340 O THR A 22 5.927 10.226 -4.435 1.00 0.00 O ATOM 341 CB THR A 22 6.222 9.316 -7.074 1.00 0.00 C ATOM 342 OG1 THR A 22 5.646 8.830 -8.278 1.00 0.00 O ATOM 343 CG2 THR A 22 7.738 9.421 -7.240 1.00 0.00 C ATOM 0 H THR A 22 3.841 8.644 -6.422 1.00 0.00 H new ATOM 0 HA THR A 22 6.531 7.469 -6.018 1.00 0.00 H new ATOM 0 HB THR A 22 5.814 10.301 -6.846 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.852 9.447 -9.011 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.968 10.108 -8.055 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.180 9.793 -6.316 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.148 8.437 -7.468 1.00 0.00 H new ATOM 351 N ILE A 23 6.606 8.306 -3.614 1.00 0.00 N ATOM 352 CA ILE A 23 6.862 8.910 -2.279 1.00 0.00 C ATOM 353 C ILE A 23 8.359 9.050 -2.044 1.00 0.00 C ATOM 354 O ILE A 23 9.167 8.454 -2.727 1.00 0.00 O ATOM 355 CB ILE A 23 6.280 8.015 -1.185 1.00 0.00 C ATOM 356 CG1 ILE A 23 6.777 6.577 -1.376 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.758 8.048 -1.265 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.616 6.157 -0.167 1.00 0.00 C ATOM 0 H ILE A 23 6.812 7.310 -3.685 1.00 0.00 H new ATOM 0 HA ILE A 23 6.391 9.893 -2.249 1.00 0.00 H new ATOM 0 HB ILE A 23 6.601 8.377 -0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.930 5.902 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.372 6.505 -2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.339 7.411 -0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.408 9.071 -1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.437 7.686 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.968 5.135 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.472 6.825 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.007 6.212 0.735 1.00 0.00 H new ATOM 370 N LYS A 24 8.732 9.819 -1.062 1.00 0.00 N ATOM 371 CA LYS A 24 10.174 9.980 -0.760 1.00 0.00 C ATOM 372 C LYS A 24 10.576 8.877 0.223 1.00 0.00 C ATOM 373 O LYS A 24 9.760 8.049 0.577 1.00 0.00 O ATOM 374 CB LYS A 24 10.434 11.361 -0.145 1.00 0.00 C ATOM 375 CG LYS A 24 9.383 12.363 -0.637 1.00 0.00 C ATOM 376 CD LYS A 24 10.077 13.659 -1.065 1.00 0.00 C ATOM 377 CE LYS A 24 10.536 13.538 -2.519 1.00 0.00 C ATOM 378 NZ LYS A 24 11.917 14.084 -2.652 1.00 0.00 N ATOM 0 H LYS A 24 8.099 10.342 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 24 10.763 9.902 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.404 11.295 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.432 11.706 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.827 11.942 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.662 12.568 0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.394 14.502 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.932 13.857 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.514 12.494 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.854 14.081 -3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.229 14.002 -3.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.923 15.085 -2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.563 13.547 -2.039 1.00 0.00 H new ATOM 392 N PRO A 25 11.818 8.878 0.624 1.00 0.00 N ATOM 393 CA PRO A 25 12.341 7.864 1.553 1.00 0.00 C ATOM 394 C PRO A 25 11.960 8.205 2.997 1.00 0.00 C ATOM 395 O PRO A 25 12.713 8.833 3.715 1.00 0.00 O ATOM 396 CB PRO A 25 13.856 7.948 1.349 1.00 0.00 C ATOM 397 CG PRO A 25 14.144 9.354 0.769 1.00 0.00 C ATOM 398 CD PRO A 25 12.813 9.879 0.197 1.00 0.00 C ATOM 0 HA PRO A 25 11.943 6.866 1.369 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.383 7.802 2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.199 7.169 0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.523 10.022 1.543 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.906 9.303 -0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.575 10.869 0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.852 9.964 -0.889 1.00 0.00 H new ATOM 406 N GLY A 26 10.797 7.794 3.433 1.00 0.00 N ATOM 407 CA GLY A 26 10.381 8.099 4.833 1.00 0.00 C ATOM 408 C GLY A 26 9.047 8.843 4.827 1.00 0.00 C ATOM 409 O GLY A 26 8.534 9.222 5.861 1.00 0.00 O ATOM 0 H GLY A 26 10.121 7.263 2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.290 7.175 5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.143 8.704 5.325 1.00 0.00 H new ATOM 413 N ASP A 27 8.477 9.053 3.673 1.00 0.00 N ATOM 414 CA ASP A 27 7.175 9.770 3.612 1.00 0.00 C ATOM 415 C ASP A 27 6.098 8.914 4.277 1.00 0.00 C ATOM 416 O ASP A 27 6.363 7.833 4.764 1.00 0.00 O ATOM 417 CB ASP A 27 6.794 10.020 2.152 1.00 0.00 C ATOM 418 CG ASP A 27 7.392 11.349 1.687 1.00 0.00 C ATOM 419 OD1 ASP A 27 8.438 11.716 2.197 1.00 0.00 O ATOM 420 OD2 ASP A 27 6.793 11.977 0.830 1.00 0.00 O ATOM 0 H ASP A 27 8.856 8.760 2.773 1.00 0.00 H new ATOM 0 HA ASP A 27 7.260 10.724 4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.159 9.206 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.709 10.041 2.047 1.00 0.00 H new ATOM 425 N THR A 28 4.885 9.386 4.298 1.00 0.00 N ATOM 426 CA THR A 28 3.795 8.601 4.926 1.00 0.00 C ATOM 427 C THR A 28 2.696 8.345 3.895 1.00 0.00 C ATOM 428 O THR A 28 2.113 9.262 3.352 1.00 0.00 O ATOM 429 CB THR A 28 3.215 9.379 6.110 1.00 0.00 C ATOM 430 OG1 THR A 28 4.260 9.700 7.018 1.00 0.00 O ATOM 431 CG2 THR A 28 2.164 8.522 6.818 1.00 0.00 C ATOM 0 H THR A 28 4.603 10.284 3.906 1.00 0.00 H new ATOM 0 HA THR A 28 4.192 7.650 5.281 1.00 0.00 H new ATOM 0 HB THR A 28 2.749 10.297 5.752 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.892 10.200 7.777 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.751 9.076 7.661 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.365 8.275 6.119 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.627 7.603 7.179 1.00 0.00 H new ATOM 439 N VAL A 29 2.410 7.104 3.622 1.00 0.00 N ATOM 440 CA VAL A 29 1.353 6.787 2.631 1.00 0.00 C ATOM 441 C VAL A 29 0.060 6.452 3.373 1.00 0.00 C ATOM 442 O VAL A 29 0.025 5.576 4.215 1.00 0.00 O ATOM 443 CB VAL A 29 1.792 5.592 1.787 1.00 0.00 C ATOM 444 CG1 VAL A 29 0.801 5.380 0.641 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.184 5.863 1.213 1.00 0.00 C ATOM 0 H VAL A 29 2.865 6.295 4.045 1.00 0.00 H new ATOM 0 HA VAL A 29 1.186 7.643 1.978 1.00 0.00 H new ATOM 0 HB VAL A 29 1.820 4.698 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.116 4.527 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.192 5.189 1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.771 6.273 0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.501 5.012 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.153 6.757 0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.891 6.013 2.029 1.00 0.00 H new ATOM 455 N GLU A 30 -1.001 7.150 3.079 1.00 0.00 N ATOM 456 CA GLU A 30 -2.283 6.882 3.776 1.00 0.00 C ATOM 457 C GLU A 30 -3.183 6.017 2.895 1.00 0.00 C ATOM 458 O GLU A 30 -3.512 6.375 1.781 1.00 0.00 O ATOM 459 CB GLU A 30 -2.988 8.206 4.075 1.00 0.00 C ATOM 460 CG GLU A 30 -3.305 8.292 5.570 1.00 0.00 C ATOM 461 CD GLU A 30 -2.671 9.555 6.154 1.00 0.00 C ATOM 462 OE1 GLU A 30 -1.643 9.969 5.644 1.00 0.00 O ATOM 463 OE2 GLU A 30 -3.225 10.088 7.102 1.00 0.00 O ATOM 0 H GLU A 30 -1.033 7.896 2.384 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.079 6.356 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.355 9.042 3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.907 8.280 3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.384 8.310 5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.924 7.410 6.085 1.00 0.00 H new ATOM 470 N PHE A 31 -3.596 4.888 3.396 1.00 0.00 N ATOM 471 CA PHE A 31 -4.492 4.000 2.605 1.00 0.00 C ATOM 472 C PHE A 31 -5.766 3.771 3.417 1.00 0.00 C ATOM 473 O PHE A 31 -5.721 3.672 4.625 1.00 0.00 O ATOM 474 CB PHE A 31 -3.807 2.649 2.334 1.00 0.00 C ATOM 475 CG PHE A 31 -2.313 2.751 2.563 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.812 2.907 3.862 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.428 2.686 1.477 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.433 2.995 4.076 1.00 0.00 C ATOM 479 CE2 PHE A 31 -0.048 2.775 1.693 1.00 0.00 C ATOM 480 CZ PHE A 31 0.449 2.930 2.992 1.00 0.00 C ATOM 0 H PHE A 31 -3.351 4.540 4.323 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.722 4.466 1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.229 1.884 2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.002 2.336 1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.492 2.959 4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.811 2.567 0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.049 3.113 5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.634 2.724 0.857 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.514 2.999 3.158 1.00 0.00 H new ATOM 490 N LEU A 32 -6.902 3.705 2.780 1.00 0.00 N ATOM 491 CA LEU A 32 -8.161 3.492 3.545 1.00 0.00 C ATOM 492 C LEU A 32 -9.106 2.576 2.764 1.00 0.00 C ATOM 493 O LEU A 32 -8.815 2.149 1.664 1.00 0.00 O ATOM 494 CB LEU A 32 -8.847 4.840 3.793 1.00 0.00 C ATOM 495 CG LEU A 32 -8.563 5.785 2.623 1.00 0.00 C ATOM 496 CD1 LEU A 32 -9.803 6.634 2.337 1.00 0.00 C ATOM 497 CD2 LEU A 32 -7.395 6.703 2.986 1.00 0.00 C ATOM 0 H LEU A 32 -7.013 3.789 1.769 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.919 3.023 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.922 4.697 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.485 5.278 4.723 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.311 5.201 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.599 7.306 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.639 5.983 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.056 7.219 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.190 7.377 2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.651 7.285 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.510 6.101 3.192 1.00 0.00 H new ATOM 509 N ASN A 33 -10.247 2.291 3.329 1.00 0.00 N ATOM 510 CA ASN A 33 -11.245 1.423 2.639 1.00 0.00 C ATOM 511 C ASN A 33 -12.403 2.278 2.123 1.00 0.00 C ATOM 512 O ASN A 33 -12.960 3.076 2.842 1.00 0.00 O ATOM 513 CB ASN A 33 -11.775 0.365 3.611 1.00 0.00 C ATOM 514 CG ASN A 33 -11.657 0.851 5.050 1.00 0.00 C ATOM 515 OD1 ASN A 33 -11.849 2.009 5.335 1.00 0.00 O ATOM 516 ND2 ASN A 33 -11.325 -0.007 5.975 1.00 0.00 N ATOM 0 H ASN A 33 -10.534 2.626 4.249 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.764 0.925 1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.817 0.142 3.381 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.216 -0.562 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.227 0.299 6.943 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.164 -0.984 5.730 1.00 0.00 H new ATOM 523 N ASN A 34 -12.771 2.119 0.881 1.00 0.00 N ATOM 524 CA ASN A 34 -13.896 2.929 0.333 1.00 0.00 C ATOM 525 C ASN A 34 -15.212 2.429 0.928 1.00 0.00 C ATOM 526 O ASN A 34 -15.929 3.163 1.579 1.00 0.00 O ATOM 527 CB ASN A 34 -13.938 2.786 -1.190 1.00 0.00 C ATOM 528 CG ASN A 34 -15.080 3.636 -1.751 1.00 0.00 C ATOM 529 OD1 ASN A 34 -15.426 4.657 -1.190 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.685 3.257 -2.844 1.00 0.00 N ATOM 0 H ASN A 34 -12.343 1.466 0.224 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.750 3.978 0.592 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.989 3.103 -1.622 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.080 1.741 -1.464 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.447 3.818 -3.226 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.396 2.400 -3.316 1.00 0.00 H new ATOM 537 N LYS A 35 -15.533 1.183 0.714 1.00 0.00 N ATOM 538 CA LYS A 35 -16.799 0.633 1.272 1.00 0.00 C ATOM 539 C LYS A 35 -16.846 -0.875 1.034 1.00 0.00 C ATOM 540 O LYS A 35 -17.890 -1.443 0.783 1.00 0.00 O ATOM 541 CB LYS A 35 -17.994 1.297 0.585 1.00 0.00 C ATOM 542 CG LYS A 35 -19.256 1.051 1.413 1.00 0.00 C ATOM 543 CD LYS A 35 -19.490 2.236 2.352 1.00 0.00 C ATOM 544 CE LYS A 35 -19.730 1.719 3.771 1.00 0.00 C ATOM 545 NZ LYS A 35 -21.076 1.084 3.847 1.00 0.00 N ATOM 0 H LYS A 35 -14.972 0.522 0.176 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.841 0.834 2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.818 2.367 0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.120 0.894 -0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.115 0.919 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.152 0.132 1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.627 2.902 2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -20.348 2.818 2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.960 0.997 4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.662 2.540 4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -21.261 0.778 4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.801 1.771 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -21.107 0.260 3.214 1.00 0.00 H new ATOM 559 N VAL A 36 -15.722 -1.529 1.115 1.00 0.00 N ATOM 560 CA VAL A 36 -15.700 -3.002 0.899 1.00 0.00 C ATOM 561 C VAL A 36 -14.592 -3.633 1.749 1.00 0.00 C ATOM 562 O VAL A 36 -13.732 -4.316 1.227 1.00 0.00 O ATOM 563 CB VAL A 36 -15.431 -3.289 -0.580 1.00 0.00 C ATOM 564 CG1 VAL A 36 -15.554 -4.790 -0.843 1.00 0.00 C ATOM 565 CG2 VAL A 36 -16.447 -2.536 -1.441 1.00 0.00 C ATOM 0 H VAL A 36 -14.817 -1.107 1.322 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.661 -3.426 1.189 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.424 -2.958 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.362 -4.992 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.828 -5.327 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.560 -5.123 -0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.254 -2.741 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.455 -2.864 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.357 -1.465 -1.258 1.00 0.00 H new ATOM 575 N PRO A 37 -14.644 -3.389 3.036 1.00 0.00 N ATOM 576 CA PRO A 37 -13.651 -3.928 3.985 1.00 0.00 C ATOM 577 C PRO A 37 -13.957 -5.396 4.304 1.00 0.00 C ATOM 578 O PRO A 37 -14.975 -5.917 3.895 1.00 0.00 O ATOM 579 CB PRO A 37 -13.844 -3.061 5.232 1.00 0.00 C ATOM 580 CG PRO A 37 -15.277 -2.489 5.148 1.00 0.00 C ATOM 581 CD PRO A 37 -15.690 -2.555 3.667 1.00 0.00 C ATOM 0 HA PRO A 37 -12.632 -3.902 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.714 -3.651 6.139 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.107 -2.259 5.265 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -15.962 -3.068 5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.307 -1.462 5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.679 -2.999 3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -15.731 -1.562 3.220 1.00 0.00 H new ATOM 589 N PRO A 38 -13.075 -6.010 5.053 1.00 0.00 N ATOM 590 CA PRO A 38 -11.842 -5.371 5.546 1.00 0.00 C ATOM 591 C PRO A 38 -10.740 -5.468 4.490 1.00 0.00 C ATOM 592 O PRO A 38 -10.878 -6.166 3.508 1.00 0.00 O ATOM 593 CB PRO A 38 -11.476 -6.209 6.772 1.00 0.00 C ATOM 594 CG PRO A 38 -12.149 -7.590 6.571 1.00 0.00 C ATOM 595 CD PRO A 38 -13.245 -7.402 5.505 1.00 0.00 C ATOM 0 HA PRO A 38 -11.967 -4.312 5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.395 -6.313 6.863 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.829 -5.734 7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.419 -8.332 6.248 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.577 -7.951 7.506 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.124 -8.106 4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.239 -7.567 5.922 1.00 0.00 H new ATOM 603 N HIS A 39 -9.647 -4.778 4.684 1.00 0.00 N ATOM 604 CA HIS A 39 -8.548 -4.841 3.681 1.00 0.00 C ATOM 605 C HIS A 39 -7.247 -5.300 4.339 1.00 0.00 C ATOM 606 O HIS A 39 -7.018 -5.091 5.513 1.00 0.00 O ATOM 607 CB HIS A 39 -8.337 -3.457 3.059 1.00 0.00 C ATOM 608 CG HIS A 39 -9.479 -3.153 2.137 1.00 0.00 C ATOM 609 ND1 HIS A 39 -9.394 -3.361 0.764 1.00 0.00 N ATOM 610 CD2 HIS A 39 -10.752 -2.702 2.379 1.00 0.00 C ATOM 611 CE1 HIS A 39 -10.599 -3.046 0.245 1.00 0.00 C ATOM 612 NE2 HIS A 39 -11.451 -2.648 1.189 1.00 0.00 N ATOM 0 H HIS A 39 -9.470 -4.177 5.489 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.826 -5.557 2.907 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.273 -2.700 3.840 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.395 -3.431 2.512 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -8.577 -3.689 0.248 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.146 -2.432 3.348 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.843 -3.109 -0.805 1.00 0.00 H new ATOM 620 N ASN A 40 -6.387 -5.911 3.573 1.00 0.00 N ATOM 621 CA ASN A 40 -5.083 -6.374 4.120 1.00 0.00 C ATOM 622 C ASN A 40 -3.969 -5.760 3.273 1.00 0.00 C ATOM 623 O ASN A 40 -3.711 -6.188 2.165 1.00 0.00 O ATOM 624 CB ASN A 40 -5.003 -7.901 4.055 1.00 0.00 C ATOM 625 CG ASN A 40 -4.746 -8.461 5.456 1.00 0.00 C ATOM 626 OD1 ASN A 40 -5.535 -9.229 5.970 1.00 0.00 O ATOM 627 ND2 ASN A 40 -3.668 -8.106 6.103 1.00 0.00 N ATOM 0 H ASN A 40 -6.534 -6.111 2.584 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.980 -6.067 5.161 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.932 -8.307 3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.204 -8.205 3.379 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.490 -8.473 7.038 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.004 -7.461 5.673 1.00 0.00 H new ATOM 634 N VAL A 41 -3.322 -4.746 3.774 1.00 0.00 N ATOM 635 CA VAL A 41 -2.242 -4.086 2.989 1.00 0.00 C ATOM 636 C VAL A 41 -0.879 -4.603 3.451 1.00 0.00 C ATOM 637 O VAL A 41 -0.424 -4.303 4.536 1.00 0.00 O ATOM 638 CB VAL A 41 -2.323 -2.571 3.205 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.033 -1.905 2.724 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.508 -2.009 2.416 1.00 0.00 C ATOM 0 H VAL A 41 -3.495 -4.345 4.696 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.366 -4.312 1.930 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.457 -2.368 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.099 -0.828 2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.187 -2.302 3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.892 -2.109 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.568 -0.931 2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.371 -2.219 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.430 -2.476 2.762 1.00 0.00 H new ATOM 650 N VAL A 42 -0.225 -5.379 2.629 1.00 0.00 N ATOM 651 CA VAL A 42 1.109 -5.916 3.016 1.00 0.00 C ATOM 652 C VAL A 42 2.085 -5.755 1.849 1.00 0.00 C ATOM 653 O VAL A 42 1.690 -5.547 0.719 1.00 0.00 O ATOM 654 CB VAL A 42 0.976 -7.398 3.377 1.00 0.00 C ATOM 655 CG1 VAL A 42 2.195 -7.850 4.185 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.290 -7.605 4.212 1.00 0.00 C ATOM 0 H VAL A 42 -0.557 -5.663 1.708 1.00 0.00 H new ATOM 0 HA VAL A 42 1.487 -5.366 3.878 1.00 0.00 H new ATOM 0 HB VAL A 42 0.915 -7.986 2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.093 -8.905 4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.098 -7.705 3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.263 -7.262 5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.387 -8.659 4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.225 -7.012 5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.161 -7.291 3.637 1.00 0.00 H new ATOM 666 N PHE A 43 3.358 -5.839 2.119 1.00 0.00 N ATOM 667 CA PHE A 43 4.367 -5.680 1.036 1.00 0.00 C ATOM 668 C PHE A 43 5.042 -7.026 0.759 1.00 0.00 C ATOM 669 O PHE A 43 5.971 -7.420 1.436 1.00 0.00 O ATOM 670 CB PHE A 43 5.401 -4.645 1.483 1.00 0.00 C ATOM 671 CG PHE A 43 4.674 -3.474 2.088 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.140 -3.582 3.377 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.520 -2.287 1.363 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.455 -2.505 3.941 1.00 0.00 C ATOM 675 CE2 PHE A 43 3.833 -1.209 1.930 1.00 0.00 C ATOM 676 CZ PHE A 43 3.301 -1.320 3.220 1.00 0.00 C ATOM 0 H PHE A 43 3.744 -6.012 3.047 1.00 0.00 H new ATOM 0 HA PHE A 43 3.887 -5.341 0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.085 -5.083 2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.003 -4.320 0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.258 -4.499 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.931 -2.204 0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.044 -2.589 4.936 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.713 -0.292 1.373 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.771 -0.487 3.658 1.00 0.00 H new ATOM 686 N ASP A 44 4.573 -7.733 -0.234 1.00 0.00 N ATOM 687 CA ASP A 44 5.169 -9.058 -0.568 1.00 0.00 C ATOM 688 C ASP A 44 6.696 -8.970 -0.513 1.00 0.00 C ATOM 689 O ASP A 44 7.265 -7.899 -0.452 1.00 0.00 O ATOM 690 CB ASP A 44 4.733 -9.468 -1.977 1.00 0.00 C ATOM 691 CG ASP A 44 4.944 -10.972 -2.163 1.00 0.00 C ATOM 692 OD1 ASP A 44 6.067 -11.364 -2.433 1.00 0.00 O ATOM 693 OD2 ASP A 44 3.978 -11.706 -2.033 1.00 0.00 O ATOM 0 H ASP A 44 3.797 -7.447 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 44 4.827 -9.800 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.684 -9.216 -2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.307 -8.915 -2.721 1.00 0.00 H new ATOM 698 N ALA A 45 7.361 -10.093 -0.536 1.00 0.00 N ATOM 699 CA ALA A 45 8.845 -10.084 -0.489 1.00 0.00 C ATOM 700 C ALA A 45 9.399 -10.660 -1.793 1.00 0.00 C ATOM 701 O ALA A 45 10.559 -11.008 -1.887 1.00 0.00 O ATOM 702 CB ALA A 45 9.324 -10.935 0.689 1.00 0.00 C ATOM 0 H ALA A 45 6.935 -11.019 -0.586 1.00 0.00 H new ATOM 0 HA ALA A 45 9.198 -9.060 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.413 -10.928 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.929 -10.525 1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.971 -11.959 0.565 1.00 0.00 H new ATOM 708 N ALA A 46 8.576 -10.764 -2.802 1.00 0.00 N ATOM 709 CA ALA A 46 9.053 -11.318 -4.100 1.00 0.00 C ATOM 710 C ALA A 46 8.868 -10.274 -5.203 1.00 0.00 C ATOM 711 O ALA A 46 9.248 -10.483 -6.338 1.00 0.00 O ATOM 712 CB ALA A 46 8.247 -12.572 -4.445 1.00 0.00 C ATOM 0 H ALA A 46 7.594 -10.489 -2.782 1.00 0.00 H new ATOM 0 HA ALA A 46 10.109 -11.574 -4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.595 -12.978 -5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.380 -13.317 -3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.191 -12.315 -4.526 1.00 0.00 H new ATOM 718 N LEU A 47 8.284 -9.151 -4.882 1.00 0.00 N ATOM 719 CA LEU A 47 8.074 -8.098 -5.915 1.00 0.00 C ATOM 720 C LEU A 47 8.915 -6.867 -5.568 1.00 0.00 C ATOM 721 O LEU A 47 8.479 -5.743 -5.717 1.00 0.00 O ATOM 722 CB LEU A 47 6.594 -7.713 -5.953 1.00 0.00 C ATOM 723 CG LEU A 47 5.824 -8.718 -6.812 1.00 0.00 C ATOM 724 CD1 LEU A 47 5.172 -9.769 -5.910 1.00 0.00 C ATOM 725 CD2 LEU A 47 4.739 -7.985 -7.602 1.00 0.00 C ATOM 0 H LEU A 47 7.944 -8.918 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 47 8.376 -8.479 -6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.186 -7.696 -4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.480 -6.708 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 47 6.512 -9.207 -7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.624 -10.485 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.943 -10.292 -5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.484 -9.280 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.189 -8.700 -8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.053 -7.497 -6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.201 -7.236 -8.245 1.00 0.00 H new ATOM 737 N ASN A 48 10.119 -7.071 -5.108 1.00 0.00 N ATOM 738 CA ASN A 48 10.990 -5.916 -4.752 1.00 0.00 C ATOM 739 C ASN A 48 12.130 -5.804 -5.770 1.00 0.00 C ATOM 740 O ASN A 48 12.369 -6.720 -6.532 1.00 0.00 O ATOM 741 CB ASN A 48 11.570 -6.122 -3.348 1.00 0.00 C ATOM 742 CG ASN A 48 11.717 -7.619 -3.058 1.00 0.00 C ATOM 743 OD1 ASN A 48 11.744 -8.429 -3.963 1.00 0.00 O ATOM 744 ND2 ASN A 48 11.815 -8.022 -1.821 1.00 0.00 N ATOM 0 H ASN A 48 10.538 -7.990 -4.963 1.00 0.00 H new ATOM 0 HA ASN A 48 10.401 -4.999 -4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.540 -5.631 -3.270 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.919 -5.661 -2.605 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.914 -9.016 -1.615 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.793 -7.343 -1.060 1.00 0.00 H new ATOM 751 N PRO A 49 12.799 -4.679 -5.751 1.00 0.00 N ATOM 752 CA PRO A 49 13.922 -4.407 -6.665 1.00 0.00 C ATOM 753 C PRO A 49 15.183 -5.142 -6.199 1.00 0.00 C ATOM 754 O PRO A 49 15.798 -5.873 -6.950 1.00 0.00 O ATOM 755 CB PRO A 49 14.103 -2.889 -6.571 1.00 0.00 C ATOM 756 CG PRO A 49 13.479 -2.458 -5.223 1.00 0.00 C ATOM 757 CD PRO A 49 12.499 -3.574 -4.815 1.00 0.00 C ATOM 0 HA PRO A 49 13.737 -4.745 -7.685 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.158 -2.620 -6.614 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.612 -2.387 -7.405 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.250 -2.323 -4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.960 -1.505 -5.323 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.650 -3.877 -3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.463 -3.247 -4.904 1.00 0.00 H new ATOM 765 N ALA A 50 15.572 -4.957 -4.968 1.00 0.00 N ATOM 766 CA ALA A 50 16.791 -5.651 -4.465 1.00 0.00 C ATOM 767 C ALA A 50 16.377 -6.868 -3.641 1.00 0.00 C ATOM 768 O ALA A 50 17.059 -7.270 -2.720 1.00 0.00 O ATOM 769 CB ALA A 50 17.605 -4.693 -3.593 1.00 0.00 C ATOM 0 H ALA A 50 15.101 -4.358 -4.291 1.00 0.00 H new ATOM 0 HA ALA A 50 17.400 -5.973 -5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 50 18.496 -5.203 -3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 50 17.900 -3.826 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 50 16.999 -4.367 -2.747 1.00 0.00 H new ATOM 775 N LYS A 51 15.263 -7.456 -3.976 1.00 0.00 N ATOM 776 CA LYS A 51 14.783 -8.654 -3.227 1.00 0.00 C ATOM 777 C LYS A 51 15.041 -8.466 -1.730 1.00 0.00 C ATOM 778 O LYS A 51 15.665 -9.289 -1.090 1.00 0.00 O ATOM 779 CB LYS A 51 15.525 -9.897 -3.719 1.00 0.00 C ATOM 780 CG LYS A 51 15.595 -9.888 -5.248 1.00 0.00 C ATOM 781 CD LYS A 51 16.857 -10.622 -5.704 1.00 0.00 C ATOM 782 CE LYS A 51 17.815 -9.630 -6.365 1.00 0.00 C ATOM 783 NZ LYS A 51 18.531 -8.856 -5.311 1.00 0.00 N ATOM 0 H LYS A 51 14.659 -7.157 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 51 13.713 -8.778 -3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 51 16.531 -9.921 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.015 -10.796 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.711 -10.369 -5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.605 -8.862 -5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 51 17.341 -11.098 -4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.596 -11.414 -6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.531 -10.162 -6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.263 -8.953 -7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.643 -7.869 -5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 17.982 -8.882 -4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.468 -9.276 -5.148 1.00 0.00 H new ATOM 797 N SER A 52 14.568 -7.388 -1.167 1.00 0.00 N ATOM 798 CA SER A 52 14.790 -7.149 0.287 1.00 0.00 C ATOM 799 C SER A 52 13.532 -7.537 1.066 1.00 0.00 C ATOM 800 O SER A 52 12.432 -7.491 0.551 1.00 0.00 O ATOM 801 CB SER A 52 15.097 -5.669 0.517 1.00 0.00 C ATOM 802 OG SER A 52 15.918 -5.190 -0.541 1.00 0.00 O ATOM 0 H SER A 52 14.038 -6.663 -1.651 1.00 0.00 H new ATOM 0 HA SER A 52 15.630 -7.753 0.631 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.171 -5.096 0.562 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.602 -5.535 1.474 1.00 0.00 H new ATOM 0 HG SER A 52 16.116 -4.241 -0.398 1.00 0.00 H new ATOM 808 N ALA A 53 13.684 -7.919 2.304 1.00 0.00 N ATOM 809 CA ALA A 53 12.498 -8.310 3.117 1.00 0.00 C ATOM 810 C ALA A 53 12.687 -7.834 4.558 1.00 0.00 C ATOM 811 O ALA A 53 12.488 -8.578 5.498 1.00 0.00 O ATOM 812 CB ALA A 53 12.351 -9.832 3.102 1.00 0.00 C ATOM 0 H ALA A 53 14.580 -7.977 2.788 1.00 0.00 H new ATOM 0 HA ALA A 53 11.603 -7.852 2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.484 -10.120 3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.217 -10.175 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.247 -10.288 3.523 1.00 0.00 H new ATOM 818 N ASP A 54 13.072 -6.600 4.741 1.00 0.00 N ATOM 819 CA ASP A 54 13.275 -6.080 6.118 1.00 0.00 C ATOM 820 C ASP A 54 12.258 -4.974 6.403 1.00 0.00 C ATOM 821 O ASP A 54 11.330 -5.153 7.167 1.00 0.00 O ATOM 822 CB ASP A 54 14.692 -5.518 6.251 1.00 0.00 C ATOM 823 CG ASP A 54 15.697 -6.535 5.709 1.00 0.00 C ATOM 824 OD1 ASP A 54 15.284 -7.641 5.401 1.00 0.00 O ATOM 825 OD2 ASP A 54 16.864 -6.191 5.611 1.00 0.00 O ATOM 0 H ASP A 54 13.254 -5.931 3.993 1.00 0.00 H new ATOM 0 HA ASP A 54 13.139 -6.891 6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.776 -4.580 5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.910 -5.296 7.296 1.00 0.00 H new ATOM 830 N LEU A 55 12.424 -3.830 5.797 1.00 0.00 N ATOM 831 CA LEU A 55 11.467 -2.713 6.035 1.00 0.00 C ATOM 832 C LEU A 55 10.041 -3.197 5.764 1.00 0.00 C ATOM 833 O LEU A 55 9.087 -2.698 6.328 1.00 0.00 O ATOM 834 CB LEU A 55 11.800 -1.548 5.100 1.00 0.00 C ATOM 835 CG LEU A 55 11.544 -1.966 3.651 1.00 0.00 C ATOM 836 CD1 LEU A 55 10.364 -1.171 3.091 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.792 -1.680 2.813 1.00 0.00 C ATOM 0 H LEU A 55 13.182 -3.621 5.147 1.00 0.00 H new ATOM 0 HA LEU A 55 11.546 -2.380 7.070 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.191 -0.680 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.842 -1.253 5.226 1.00 0.00 H new ATOM 0 HG LEU A 55 11.314 -3.031 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.182 -1.469 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.475 -1.370 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.593 -0.106 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.612 -1.977 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.019 -0.615 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.635 -2.245 3.211 1.00 0.00 H new ATOM 849 N ALA A 56 9.887 -4.168 4.905 1.00 0.00 N ATOM 850 CA ALA A 56 8.523 -4.684 4.600 1.00 0.00 C ATOM 851 C ALA A 56 7.946 -5.356 5.846 1.00 0.00 C ATOM 852 O ALA A 56 6.772 -5.242 6.137 1.00 0.00 O ATOM 853 CB ALA A 56 8.605 -5.704 3.462 1.00 0.00 C ATOM 0 H ALA A 56 10.647 -4.626 4.402 1.00 0.00 H new ATOM 0 HA ALA A 56 7.879 -3.857 4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.607 -6.081 3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.019 -5.226 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.248 -6.532 3.761 1.00 0.00 H new ATOM 859 N LYS A 57 8.761 -6.058 6.584 1.00 0.00 N ATOM 860 CA LYS A 57 8.256 -6.737 7.809 1.00 0.00 C ATOM 861 C LYS A 57 7.673 -5.694 8.764 1.00 0.00 C ATOM 862 O LYS A 57 6.691 -5.935 9.438 1.00 0.00 O ATOM 863 CB LYS A 57 9.408 -7.475 8.495 1.00 0.00 C ATOM 864 CG LYS A 57 8.864 -8.708 9.220 1.00 0.00 C ATOM 865 CD LYS A 57 8.760 -8.415 10.718 1.00 0.00 C ATOM 866 CE LYS A 57 9.910 -9.105 11.454 1.00 0.00 C ATOM 867 NZ LYS A 57 9.460 -9.498 12.819 1.00 0.00 N ATOM 0 H LYS A 57 9.754 -6.190 6.391 1.00 0.00 H new ATOM 0 HA LYS A 57 7.480 -7.453 7.536 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.153 -7.773 7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.907 -6.814 9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.885 -8.974 8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.520 -9.562 9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.796 -7.340 10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.804 -8.769 11.103 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.235 -9.985 10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.767 -8.435 11.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.241 -9.967 13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.170 -8.650 13.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.654 -10.152 12.744 1.00 0.00 H new ATOM 881 N SER A 58 8.269 -4.534 8.826 1.00 0.00 N ATOM 882 CA SER A 58 7.746 -3.475 9.736 1.00 0.00 C ATOM 883 C SER A 58 6.952 -2.449 8.923 1.00 0.00 C ATOM 884 O SER A 58 6.894 -1.284 9.262 1.00 0.00 O ATOM 885 CB SER A 58 8.915 -2.780 10.435 1.00 0.00 C ATOM 886 OG SER A 58 8.410 -1.912 11.442 1.00 0.00 O ATOM 0 H SER A 58 9.095 -4.274 8.286 1.00 0.00 H new ATOM 0 HA SER A 58 7.094 -3.928 10.483 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.582 -3.520 10.877 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.502 -2.214 9.712 1.00 0.00 H new ATOM 0 HG SER A 58 7.759 -1.296 11.046 1.00 0.00 H new ATOM 892 N LEU A 59 6.338 -2.874 7.852 1.00 0.00 N ATOM 893 CA LEU A 59 5.546 -1.925 7.018 1.00 0.00 C ATOM 894 C LEU A 59 4.092 -2.394 6.962 1.00 0.00 C ATOM 895 O LEU A 59 3.175 -1.601 6.884 1.00 0.00 O ATOM 896 CB LEU A 59 6.114 -1.895 5.597 1.00 0.00 C ATOM 897 CG LEU A 59 5.888 -0.517 4.977 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.556 0.552 5.844 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.502 -0.490 3.576 1.00 0.00 C ATOM 0 H LEU A 59 6.351 -3.838 7.518 1.00 0.00 H new ATOM 0 HA LEU A 59 5.599 -0.928 7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.179 -2.124 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.634 -2.661 4.988 1.00 0.00 H new ATOM 0 HG LEU A 59 4.819 -0.316 4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.394 1.534 5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.125 0.530 6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.626 0.354 5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.344 0.491 3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.571 -0.690 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.029 -1.252 2.957 1.00 0.00 H new ATOM 911 N SER A 60 3.877 -3.681 6.980 1.00 0.00 N ATOM 912 CA SER A 60 2.485 -4.211 6.905 1.00 0.00 C ATOM 913 C SER A 60 1.797 -4.110 8.266 1.00 0.00 C ATOM 914 O SER A 60 2.431 -4.147 9.302 1.00 0.00 O ATOM 915 CB SER A 60 2.531 -5.680 6.490 1.00 0.00 C ATOM 916 OG SER A 60 3.883 -6.115 6.447 1.00 0.00 O ATOM 0 H SER A 60 4.607 -4.391 7.044 1.00 0.00 H new ATOM 0 HA SER A 60 1.926 -3.623 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.964 -6.287 7.196 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.065 -5.808 5.513 1.00 0.00 H new ATOM 0 HG SER A 60 3.914 -7.093 6.501 1.00 0.00 H new ATOM 922 N HIS A 61 0.495 -4.002 8.267 1.00 0.00 N ATOM 923 CA HIS A 61 -0.250 -3.921 9.553 1.00 0.00 C ATOM 924 C HIS A 61 -0.789 -5.311 9.895 1.00 0.00 C ATOM 925 O HIS A 61 -0.762 -6.211 9.078 1.00 0.00 O ATOM 926 CB HIS A 61 -1.413 -2.928 9.421 1.00 0.00 C ATOM 927 CG HIS A 61 -2.464 -3.480 8.492 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.176 -4.641 8.780 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.942 -3.035 7.282 1.00 0.00 C ATOM 930 CE1 HIS A 61 -4.032 -4.847 7.760 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.927 -3.900 6.828 1.00 0.00 N ATOM 0 H HIS A 61 -0.085 -3.966 7.429 1.00 0.00 H new ATOM 0 HA HIS A 61 0.415 -3.576 10.345 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.849 -2.734 10.401 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.046 -1.975 9.041 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.070 -5.226 9.608 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.603 -2.149 6.765 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.719 -5.678 7.704 1.00 0.00 H new ATOM 939 N LYS A 62 -1.274 -5.502 11.090 1.00 0.00 N ATOM 940 CA LYS A 62 -1.806 -6.844 11.466 1.00 0.00 C ATOM 941 C LYS A 62 -3.291 -6.733 11.815 1.00 0.00 C ATOM 942 O LYS A 62 -4.061 -7.643 11.582 1.00 0.00 O ATOM 943 CB LYS A 62 -1.037 -7.375 12.678 1.00 0.00 C ATOM 944 CG LYS A 62 0.331 -7.893 12.230 1.00 0.00 C ATOM 945 CD LYS A 62 0.404 -9.404 12.455 1.00 0.00 C ATOM 946 CE LYS A 62 0.772 -10.100 11.143 1.00 0.00 C ATOM 947 NZ LYS A 62 -0.440 -10.748 10.567 1.00 0.00 N ATOM 0 H LYS A 62 -1.326 -4.792 11.820 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.684 -7.528 10.626 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.913 -6.584 13.418 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.601 -8.175 13.157 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.491 -7.663 11.177 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.122 -7.393 12.789 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.146 -9.633 13.220 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.554 -9.775 12.819 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.181 -9.377 10.437 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.547 -10.846 11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.190 -11.221 9.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.811 -11.450 11.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.166 -10.026 10.384 1.00 0.00 H new ATOM 961 N GLN A 63 -3.702 -5.629 12.375 1.00 0.00 N ATOM 962 CA GLN A 63 -5.139 -5.471 12.737 1.00 0.00 C ATOM 963 C GLN A 63 -5.964 -5.246 11.470 1.00 0.00 C ATOM 964 O GLN A 63 -5.906 -4.198 10.859 1.00 0.00 O ATOM 965 CB GLN A 63 -5.304 -4.270 13.670 1.00 0.00 C ATOM 966 CG GLN A 63 -6.727 -4.256 14.231 1.00 0.00 C ATOM 967 CD GLN A 63 -6.935 -2.999 15.077 1.00 0.00 C ATOM 968 OE1 GLN A 63 -6.442 -1.940 14.744 1.00 0.00 O ATOM 969 NE2 GLN A 63 -7.652 -3.072 16.164 1.00 0.00 N ATOM 0 H GLN A 63 -3.107 -4.831 12.597 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.485 -6.373 13.241 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.581 -4.325 14.484 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.105 -3.345 13.129 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.450 -4.281 13.416 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.898 -5.146 14.836 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.066 -3.961 16.443 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.799 -2.240 16.735 1.00 0.00 H new ATOM 978 N LEU A 64 -6.737 -6.219 11.070 1.00 0.00 N ATOM 979 CA LEU A 64 -7.567 -6.054 9.847 1.00 0.00 C ATOM 980 C LEU A 64 -8.234 -4.680 9.863 1.00 0.00 C ATOM 981 O LEU A 64 -8.397 -4.070 10.901 1.00 0.00 O ATOM 982 CB LEU A 64 -8.643 -7.142 9.818 1.00 0.00 C ATOM 983 CG LEU A 64 -8.125 -8.379 9.075 1.00 0.00 C ATOM 984 CD1 LEU A 64 -8.297 -8.177 7.569 1.00 0.00 C ATOM 985 CD2 LEU A 64 -6.643 -8.607 9.390 1.00 0.00 C ATOM 0 H LEU A 64 -6.828 -7.120 11.539 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.935 -6.138 8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.925 -7.412 10.836 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.540 -6.764 9.328 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.695 -9.250 9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.929 -9.056 7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.353 -8.031 7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.732 -7.300 7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.289 -9.489 8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.066 -7.737 9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.518 -8.758 10.462 1.00 0.00 H new ATOM 997 N LEU A 65 -8.623 -4.187 8.720 1.00 0.00 N ATOM 998 CA LEU A 65 -9.281 -2.852 8.672 1.00 0.00 C ATOM 999 C LEU A 65 -10.783 -3.056 8.450 1.00 0.00 C ATOM 1000 O LEU A 65 -11.246 -3.154 7.333 1.00 0.00 O ATOM 1001 CB LEU A 65 -8.686 -2.030 7.520 1.00 0.00 C ATOM 1002 CG LEU A 65 -7.167 -2.254 7.442 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -6.714 -2.199 5.984 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -6.443 -1.158 8.227 1.00 0.00 C ATOM 0 H LEU A 65 -8.514 -4.651 7.818 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.117 -2.316 9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.153 -2.318 6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.898 -0.972 7.670 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.930 -3.230 7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.637 -2.358 5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.224 -2.976 5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.958 -1.223 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.367 -1.320 8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.687 -0.184 7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.759 -1.188 9.270 1.00 0.00 H new ATOM 1016 N MET A 66 -11.545 -3.145 9.510 1.00 0.00 N ATOM 1017 CA MET A 66 -13.013 -3.373 9.362 1.00 0.00 C ATOM 1018 C MET A 66 -13.763 -2.043 9.251 1.00 0.00 C ATOM 1019 O MET A 66 -14.908 -2.007 8.847 1.00 0.00 O ATOM 1020 CB MET A 66 -13.532 -4.144 10.577 1.00 0.00 C ATOM 1021 CG MET A 66 -14.671 -5.070 10.145 1.00 0.00 C ATOM 1022 SD MET A 66 -14.473 -6.683 10.943 1.00 0.00 S ATOM 1023 CE MET A 66 -14.919 -7.699 9.513 1.00 0.00 C ATOM 0 H MET A 66 -11.213 -3.070 10.472 1.00 0.00 H new ATOM 0 HA MET A 66 -13.184 -3.947 8.451 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.726 -4.726 11.024 1.00 0.00 H new ATOM 0 HB3 MET A 66 -13.884 -3.449 11.339 1.00 0.00 H new ATOM 0 HG2 MET A 66 -15.632 -4.633 10.417 1.00 0.00 H new ATOM 0 HG3 MET A 66 -14.669 -5.186 9.061 1.00 0.00 H new ATOM 0 HE1 MET A 66 -14.535 -8.710 9.651 1.00 0.00 H new ATOM 0 HE2 MET A 66 -16.004 -7.733 9.415 1.00 0.00 H new ATOM 0 HE3 MET A 66 -14.487 -7.267 8.611 1.00 0.00 H new ATOM 1033 N SER A 67 -13.141 -0.950 9.597 1.00 0.00 N ATOM 1034 CA SER A 67 -13.846 0.360 9.494 1.00 0.00 C ATOM 1035 C SER A 67 -13.831 0.807 8.028 1.00 0.00 C ATOM 1036 O SER A 67 -12.783 1.089 7.492 1.00 0.00 O ATOM 1037 CB SER A 67 -13.123 1.399 10.355 1.00 0.00 C ATOM 1038 OG SER A 67 -13.886 2.598 10.381 1.00 0.00 O ATOM 0 H SER A 67 -12.183 -0.906 9.944 1.00 0.00 H new ATOM 0 HA SER A 67 -14.874 0.261 9.844 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.987 1.019 11.367 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.129 1.595 9.952 1.00 0.00 H new ATOM 0 HG SER A 67 -13.516 3.207 11.054 1.00 0.00 H new ATOM 1044 N PRO A 68 -14.990 0.843 7.415 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.120 1.227 5.996 1.00 0.00 C ATOM 1046 C PRO A 68 -14.920 2.731 5.815 1.00 0.00 C ATOM 1047 O PRO A 68 -15.641 3.536 6.371 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.549 0.810 5.636 1.00 0.00 C ATOM 1049 CG PRO A 68 -17.327 0.726 6.969 1.00 0.00 C ATOM 1050 CD PRO A 68 -16.275 0.529 8.076 1.00 0.00 C ATOM 0 HA PRO A 68 -14.372 0.754 5.359 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.008 1.535 4.964 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.555 -0.151 5.121 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.904 1.635 7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.035 -0.103 6.954 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -16.459 1.190 8.923 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.287 -0.491 8.460 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.943 3.116 5.040 1.00 0.00 N ATOM 1059 CA GLY A 69 -13.699 4.574 4.826 1.00 0.00 C ATOM 1060 C GLY A 69 -12.389 4.981 5.504 1.00 0.00 C ATOM 1061 O GLY A 69 -11.841 6.032 5.239 1.00 0.00 O ATOM 0 H GLY A 69 -13.306 2.490 4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.651 4.792 3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.527 5.155 5.233 1.00 0.00 H new ATOM 1065 N GLN A 70 -11.883 4.153 6.374 1.00 0.00 N ATOM 1066 CA GLN A 70 -10.608 4.482 7.069 1.00 0.00 C ATOM 1067 C GLN A 70 -9.864 3.185 7.390 1.00 0.00 C ATOM 1068 O GLN A 70 -10.306 2.388 8.194 1.00 0.00 O ATOM 1069 CB GLN A 70 -10.915 5.229 8.370 1.00 0.00 C ATOM 1070 CG GLN A 70 -12.055 4.524 9.109 1.00 0.00 C ATOM 1071 CD GLN A 70 -13.281 5.438 9.148 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -14.210 5.261 8.385 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -13.324 6.414 10.013 1.00 0.00 N ATOM 0 H GLN A 70 -12.299 3.259 6.635 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.991 5.111 6.428 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.026 5.264 9.000 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.192 6.261 8.152 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.302 3.588 8.609 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.744 4.272 10.123 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.544 6.563 10.653 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.137 7.028 10.049 1.00 0.00 H new ATOM 1082 N SER A 71 -8.733 2.966 6.774 1.00 0.00 N ATOM 1083 CA SER A 71 -7.969 1.719 7.059 1.00 0.00 C ATOM 1084 C SER A 71 -6.784 2.059 7.975 1.00 0.00 C ATOM 1085 O SER A 71 -6.929 2.800 8.927 1.00 0.00 O ATOM 1086 CB SER A 71 -7.482 1.084 5.750 1.00 0.00 C ATOM 1087 OG SER A 71 -6.211 1.606 5.401 1.00 0.00 O ATOM 0 H SER A 71 -8.308 3.593 6.090 1.00 0.00 H new ATOM 0 HA SER A 71 -8.614 0.998 7.561 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.421 0.001 5.862 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.197 1.282 4.952 1.00 0.00 H new ATOM 0 HG SER A 71 -6.256 2.585 5.374 1.00 0.00 H new ATOM 1093 N THR A 72 -5.616 1.539 7.705 1.00 0.00 N ATOM 1094 CA THR A 72 -4.446 1.857 8.572 1.00 0.00 C ATOM 1095 C THR A 72 -3.412 2.641 7.759 1.00 0.00 C ATOM 1096 O THR A 72 -3.382 2.570 6.547 1.00 0.00 O ATOM 1097 CB THR A 72 -3.822 0.556 9.086 1.00 0.00 C ATOM 1098 OG1 THR A 72 -2.934 0.850 10.155 1.00 0.00 O ATOM 1099 CG2 THR A 72 -3.053 -0.131 7.956 1.00 0.00 C ATOM 0 H THR A 72 -5.423 0.911 6.925 1.00 0.00 H new ATOM 0 HA THR A 72 -4.771 2.459 9.421 1.00 0.00 H new ATOM 0 HB THR A 72 -4.611 -0.109 9.438 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.535 0.019 10.487 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.611 -1.056 8.327 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.735 -0.358 7.137 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.264 0.530 7.598 1.00 0.00 H new ATOM 1107 N SER A 73 -2.564 3.388 8.413 1.00 0.00 N ATOM 1108 CA SER A 73 -1.536 4.173 7.670 1.00 0.00 C ATOM 1109 C SER A 73 -0.197 3.432 7.718 1.00 0.00 C ATOM 1110 O SER A 73 -0.112 2.317 8.193 1.00 0.00 O ATOM 1111 CB SER A 73 -1.380 5.551 8.314 1.00 0.00 C ATOM 1112 OG SER A 73 -1.981 5.539 9.602 1.00 0.00 O ATOM 0 H SER A 73 -2.538 3.489 9.428 1.00 0.00 H new ATOM 0 HA SER A 73 -1.850 4.292 6.633 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.324 5.810 8.395 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.847 6.312 7.689 1.00 0.00 H new ATOM 0 HG SER A 73 -1.881 6.421 10.018 1.00 0.00 H new ATOM 1118 N THR A 74 0.849 4.041 7.229 1.00 0.00 N ATOM 1119 CA THR A 74 2.178 3.367 7.246 1.00 0.00 C ATOM 1120 C THR A 74 3.285 4.402 7.031 1.00 0.00 C ATOM 1121 O THR A 74 3.460 4.922 5.947 1.00 0.00 O ATOM 1122 CB THR A 74 2.230 2.321 6.129 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.107 1.459 6.239 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.515 1.505 6.255 1.00 0.00 C ATOM 0 H THR A 74 0.841 4.975 6.819 1.00 0.00 H new ATOM 0 HA THR A 74 2.325 2.880 8.210 1.00 0.00 H new ATOM 0 HB THR A 74 2.212 2.820 5.160 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.880 1.337 7.184 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.552 0.760 5.460 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.376 2.168 6.172 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.534 1.004 7.223 1.00 0.00 H new ATOM 1132 N THR A 75 4.035 4.704 8.056 1.00 0.00 N ATOM 1133 CA THR A 75 5.131 5.704 7.910 1.00 0.00 C ATOM 1134 C THR A 75 6.386 5.009 7.381 1.00 0.00 C ATOM 1135 O THR A 75 7.218 4.548 8.137 1.00 0.00 O ATOM 1136 CB THR A 75 5.434 6.335 9.271 1.00 0.00 C ATOM 1137 OG1 THR A 75 6.698 6.984 9.218 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.462 5.246 10.345 1.00 0.00 C ATOM 0 H THR A 75 3.936 4.302 8.988 1.00 0.00 H new ATOM 0 HA THR A 75 4.822 6.481 7.211 1.00 0.00 H new ATOM 0 HB THR A 75 4.661 7.063 9.516 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.894 7.390 10.088 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.678 5.696 11.314 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.493 4.748 10.384 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.235 4.517 10.103 1.00 0.00 H new ATOM 1146 N PHE A 76 6.529 4.932 6.087 1.00 0.00 N ATOM 1147 CA PHE A 76 7.729 4.268 5.510 1.00 0.00 C ATOM 1148 C PHE A 76 8.981 4.750 6.253 1.00 0.00 C ATOM 1149 O PHE A 76 8.938 5.743 6.952 1.00 0.00 O ATOM 1150 CB PHE A 76 7.831 4.614 4.022 1.00 0.00 C ATOM 1151 CG PHE A 76 6.982 3.650 3.226 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.597 3.589 3.438 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.580 2.812 2.277 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.816 2.691 2.701 1.00 0.00 C ATOM 1155 CE2 PHE A 76 6.797 1.916 1.541 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.416 1.856 1.754 1.00 0.00 C ATOM 0 H PHE A 76 5.866 5.300 5.405 1.00 0.00 H new ATOM 0 HA PHE A 76 7.645 3.187 5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.497 5.637 3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.869 4.559 3.694 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.133 4.234 4.169 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.647 2.857 2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.749 2.643 2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.259 1.271 0.808 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.812 1.164 1.186 1.00 0.00 H new ATOM 1166 N PRO A 77 10.056 4.021 6.090 1.00 0.00 N ATOM 1167 CA PRO A 77 11.338 4.337 6.748 1.00 0.00 C ATOM 1168 C PRO A 77 12.049 5.497 6.045 1.00 0.00 C ATOM 1169 O PRO A 77 11.765 5.820 4.909 1.00 0.00 O ATOM 1170 CB PRO A 77 12.139 3.040 6.614 1.00 0.00 C ATOM 1171 CG PRO A 77 11.521 2.264 5.427 1.00 0.00 C ATOM 1172 CD PRO A 77 10.096 2.818 5.233 1.00 0.00 C ATOM 0 HA PRO A 77 11.214 4.654 7.783 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.193 3.252 6.433 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.085 2.454 7.531 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.116 2.400 4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.496 1.194 5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.904 3.066 4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.342 2.090 5.532 1.00 0.00 H new ATOM 1180 N ALA A 78 12.977 6.122 6.721 1.00 0.00 N ATOM 1181 CA ALA A 78 13.715 7.266 6.112 1.00 0.00 C ATOM 1182 C ALA A 78 14.631 6.763 4.992 1.00 0.00 C ATOM 1183 O ALA A 78 15.281 7.538 4.319 1.00 0.00 O ATOM 1184 CB ALA A 78 14.559 7.955 7.187 1.00 0.00 C ATOM 0 H ALA A 78 13.256 5.887 7.674 1.00 0.00 H new ATOM 0 HA ALA A 78 12.998 7.973 5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.100 8.792 6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.908 8.322 7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.271 7.242 7.603 1.00 0.00 H new ATOM 1190 N ASP A 79 14.688 5.477 4.782 1.00 0.00 N ATOM 1191 CA ASP A 79 15.561 4.939 3.702 1.00 0.00 C ATOM 1192 C ASP A 79 14.709 4.642 2.468 1.00 0.00 C ATOM 1193 O ASP A 79 14.719 5.385 1.509 1.00 0.00 O ATOM 1194 CB ASP A 79 16.232 3.650 4.183 1.00 0.00 C ATOM 1195 CG ASP A 79 17.725 3.700 3.855 1.00 0.00 C ATOM 1196 OD1 ASP A 79 18.061 4.191 2.790 1.00 0.00 O ATOM 1197 OD2 ASP A 79 18.507 3.246 4.674 1.00 0.00 O ATOM 0 H ASP A 79 14.168 4.776 5.311 1.00 0.00 H new ATOM 0 HA ASP A 79 16.327 5.672 3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.088 3.531 5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.772 2.787 3.703 1.00 0.00 H new ATOM 1202 N ALA A 80 13.967 3.566 2.492 1.00 0.00 N ATOM 1203 CA ALA A 80 13.101 3.215 1.326 1.00 0.00 C ATOM 1204 C ALA A 80 13.812 3.556 0.010 1.00 0.00 C ATOM 1205 O ALA A 80 13.297 4.314 -0.787 1.00 0.00 O ATOM 1206 CB ALA A 80 11.796 4.007 1.412 1.00 0.00 C ATOM 0 H ALA A 80 13.923 2.911 3.273 1.00 0.00 H new ATOM 0 HA ALA A 80 12.893 2.145 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.160 3.754 0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.280 3.758 2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.016 5.074 1.395 1.00 0.00 H new ATOM 1212 N PRO A 81 14.974 2.985 -0.179 1.00 0.00 N ATOM 1213 CA PRO A 81 15.776 3.211 -1.395 1.00 0.00 C ATOM 1214 C PRO A 81 15.217 2.389 -2.560 1.00 0.00 C ATOM 1215 O PRO A 81 14.082 1.956 -2.538 1.00 0.00 O ATOM 1216 CB PRO A 81 17.169 2.716 -1.003 1.00 0.00 C ATOM 1217 CG PRO A 81 16.966 1.731 0.173 1.00 0.00 C ATOM 1218 CD PRO A 81 15.596 2.064 0.794 1.00 0.00 C ATOM 0 HA PRO A 81 15.774 4.250 -1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.657 2.222 -1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.808 3.548 -0.707 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.992 0.699 -0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 81 17.762 1.838 0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.993 1.167 0.935 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.705 2.532 1.772 1.00 0.00 H new ATOM 1226 N ALA A 82 16.008 2.164 -3.572 1.00 0.00 N ATOM 1227 CA ALA A 82 15.525 1.364 -4.731 1.00 0.00 C ATOM 1228 C ALA A 82 14.528 2.185 -5.551 1.00 0.00 C ATOM 1229 O ALA A 82 14.832 2.647 -6.633 1.00 0.00 O ATOM 1230 CB ALA A 82 14.840 0.095 -4.219 1.00 0.00 C ATOM 0 H ALA A 82 16.968 2.500 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 82 16.372 1.096 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.485 -0.493 -5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.551 -0.494 -3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.995 0.367 -3.587 1.00 0.00 H new ATOM 1236 N GLY A 83 13.334 2.363 -5.052 1.00 0.00 N ATOM 1237 CA GLY A 83 12.321 3.144 -5.810 1.00 0.00 C ATOM 1238 C GLY A 83 11.255 2.188 -6.348 1.00 0.00 C ATOM 1239 O GLY A 83 10.607 2.459 -7.339 1.00 0.00 O ATOM 0 H GLY A 83 13.019 2.000 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.863 3.893 -5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.796 3.679 -6.632 1.00 0.00 H new ATOM 1243 N GLU A 84 11.074 1.065 -5.704 1.00 0.00 N ATOM 1244 CA GLU A 84 10.056 0.088 -6.184 1.00 0.00 C ATOM 1245 C GLU A 84 9.518 -0.726 -5.004 1.00 0.00 C ATOM 1246 O GLU A 84 10.216 -1.533 -4.422 1.00 0.00 O ATOM 1247 CB GLU A 84 10.700 -0.857 -7.202 1.00 0.00 C ATOM 1248 CG GLU A 84 9.607 -1.595 -7.977 1.00 0.00 C ATOM 1249 CD GLU A 84 9.178 -0.754 -9.180 1.00 0.00 C ATOM 1250 OE1 GLU A 84 9.881 -0.782 -10.177 1.00 0.00 O ATOM 1251 OE2 GLU A 84 8.156 -0.096 -9.084 1.00 0.00 O ATOM 0 H GLU A 84 11.586 0.784 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 84 9.233 0.628 -6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.330 -0.293 -7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.345 -1.572 -6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.975 -2.565 -8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.752 -1.784 -7.329 1.00 0.00 H new ATOM 1258 N TYR A 85 8.276 -0.525 -4.656 1.00 0.00 N ATOM 1259 CA TYR A 85 7.676 -1.287 -3.524 1.00 0.00 C ATOM 1260 C TYR A 85 6.256 -1.702 -3.910 1.00 0.00 C ATOM 1261 O TYR A 85 5.295 -1.034 -3.586 1.00 0.00 O ATOM 1262 CB TYR A 85 7.631 -0.403 -2.276 1.00 0.00 C ATOM 1263 CG TYR A 85 9.035 -0.026 -1.872 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.729 0.960 -2.585 1.00 0.00 C ATOM 1265 CD2 TYR A 85 9.645 -0.664 -0.786 1.00 0.00 C ATOM 1266 CE1 TYR A 85 11.031 1.308 -2.209 1.00 0.00 C ATOM 1267 CE2 TYR A 85 10.947 -0.316 -0.410 1.00 0.00 C ATOM 1268 CZ TYR A 85 11.640 0.670 -1.122 1.00 0.00 C ATOM 1269 OH TYR A 85 12.924 1.013 -0.752 1.00 0.00 O ATOM 0 H TYR A 85 7.648 0.138 -5.110 1.00 0.00 H new ATOM 0 HA TYR A 85 8.277 -2.171 -3.312 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.046 0.495 -2.475 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.137 -0.932 -1.461 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.259 1.451 -3.424 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.110 -1.426 -0.238 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.566 2.069 -2.758 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.417 -0.808 0.429 1.00 0.00 H new ATOM 0 HH TYR A 85 13.498 1.038 -1.546 1.00 0.00 H new ATOM 1279 N THR A 86 6.118 -2.790 -4.616 1.00 0.00 N ATOM 1280 CA THR A 86 4.763 -3.239 -5.045 1.00 0.00 C ATOM 1281 C THR A 86 4.030 -3.921 -3.887 1.00 0.00 C ATOM 1282 O THR A 86 4.477 -4.915 -3.351 1.00 0.00 O ATOM 1283 CB THR A 86 4.899 -4.228 -6.205 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.322 -3.534 -7.370 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.549 -4.898 -6.471 1.00 0.00 C ATOM 0 H THR A 86 6.887 -3.389 -4.915 1.00 0.00 H new ATOM 0 HA THR A 86 4.190 -2.367 -5.361 1.00 0.00 H new ATOM 0 HB THR A 86 5.635 -4.990 -5.947 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.519 -4.179 -8.081 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.649 -5.602 -7.297 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.225 -5.431 -5.577 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.810 -4.139 -6.728 1.00 0.00 H new ATOM 1293 N PHE A 87 2.890 -3.403 -3.518 1.00 0.00 N ATOM 1294 CA PHE A 87 2.102 -4.023 -2.422 1.00 0.00 C ATOM 1295 C PHE A 87 0.768 -4.499 -2.998 1.00 0.00 C ATOM 1296 O PHE A 87 0.455 -4.234 -4.142 1.00 0.00 O ATOM 1297 CB PHE A 87 1.849 -3.006 -1.312 1.00 0.00 C ATOM 1298 CG PHE A 87 1.697 -1.644 -1.922 1.00 0.00 C ATOM 1299 CD1 PHE A 87 0.461 -1.249 -2.437 1.00 0.00 C ATOM 1300 CD2 PHE A 87 2.793 -0.782 -1.982 1.00 0.00 C ATOM 1301 CE1 PHE A 87 0.319 0.014 -3.013 1.00 0.00 C ATOM 1302 CE2 PHE A 87 2.655 0.481 -2.558 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.416 0.883 -3.076 1.00 0.00 C ATOM 0 H PHE A 87 2.470 -2.571 -3.933 1.00 0.00 H new ATOM 0 HA PHE A 87 2.654 -4.863 -2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.950 -3.272 -0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.676 -3.010 -0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.384 -1.920 -2.390 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.747 -1.093 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.637 0.322 -3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.502 1.149 -2.605 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.307 1.860 -3.523 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.023 -5.197 -2.234 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.323 -5.672 -2.775 1.00 0.00 C ATOM 1315 C TYR A 88 -2.289 -5.986 -1.631 1.00 0.00 C ATOM 1316 O TYR A 88 -2.158 -5.478 -0.535 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.097 -6.927 -3.620 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.619 -8.053 -2.737 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.602 -7.943 -2.060 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.396 -9.209 -2.597 1.00 0.00 C ATOM 1321 CE1 TYR A 88 1.045 -8.989 -1.243 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -0.953 -10.254 -1.780 1.00 0.00 C ATOM 1323 CZ TYR A 88 0.268 -10.145 -1.103 1.00 0.00 C ATOM 1324 OH TYR A 88 0.704 -11.178 -0.298 1.00 0.00 O ATOM 0 H TYR A 88 0.172 -5.457 -1.267 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.757 -4.888 -3.396 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.022 -7.212 -4.121 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.362 -6.725 -4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.201 -7.051 -2.168 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.337 -9.294 -3.120 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.986 -8.905 -0.720 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.553 -11.145 -1.671 1.00 0.00 H new ATOM 0 HH TYR A 88 0.045 -11.904 -0.311 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.267 -6.813 -1.885 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.257 -7.155 -0.825 1.00 0.00 C ATOM 1336 C CYS A 89 -4.445 -8.673 -0.764 1.00 0.00 C ATOM 1337 O CYS A 89 -4.287 -9.367 -1.749 1.00 0.00 O ATOM 1338 CB CYS A 89 -5.596 -6.504 -1.169 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.168 -5.493 0.217 1.00 0.00 S ATOM 0 H CYS A 89 -3.423 -7.268 -2.785 1.00 0.00 H new ATOM 0 HA CYS A 89 -3.897 -6.794 0.138 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.491 -5.886 -2.061 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.335 -7.272 -1.398 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.255 -5.469 1.142 1.00 0.00 H new ATOM 1344 N GLU A 90 -4.793 -9.192 0.381 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.001 -10.662 0.496 1.00 0.00 C ATOM 1346 C GLU A 90 -6.417 -11.031 0.016 1.00 0.00 C ATOM 1347 O GLU A 90 -6.577 -11.981 -0.726 1.00 0.00 O ATOM 1348 CB GLU A 90 -4.798 -11.104 1.954 1.00 0.00 C ATOM 1349 CG GLU A 90 -5.442 -12.476 2.180 1.00 0.00 C ATOM 1350 CD GLU A 90 -6.831 -12.291 2.792 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -6.908 -11.749 3.883 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -7.794 -12.693 2.160 1.00 0.00 O ATOM 0 H GLU A 90 -4.942 -8.663 1.240 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.274 -11.178 -0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.734 -11.150 2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.238 -10.371 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.518 -13.014 1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.819 -13.078 2.841 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.408 -10.282 0.449 1.00 0.00 N ATOM 1360 CA PRO A 91 -8.809 -10.537 0.066 1.00 0.00 C ATOM 1361 C PRO A 91 -9.100 -9.965 -1.326 1.00 0.00 C ATOM 1362 O PRO A 91 -9.621 -10.643 -2.189 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.615 -9.791 1.131 1.00 0.00 C ATOM 1364 CG PRO A 91 -8.678 -8.702 1.704 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.239 -9.125 1.355 1.00 0.00 C ATOM 0 HA PRO A 91 -9.049 -11.599 0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.510 -9.345 0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.945 -10.472 1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -8.910 -7.727 1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -8.804 -8.612 2.783 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.693 -8.316 0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.677 -9.398 2.248 1.00 0.00 H new ATOM 1373 N HIS A 92 -8.773 -8.720 -1.547 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.038 -8.105 -2.879 1.00 0.00 C ATOM 1375 C HIS A 92 -7.870 -8.400 -3.826 1.00 0.00 C ATOM 1376 O HIS A 92 -7.451 -7.554 -4.591 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.204 -6.589 -2.716 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.004 -6.305 -1.473 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -9.397 -5.967 -0.267 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -11.356 -6.327 -1.224 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -10.382 -5.813 0.639 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -11.581 -6.020 0.106 1.00 0.00 N ATOM 0 H HIS A 92 -8.334 -8.103 -0.863 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.952 -8.526 -3.298 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.227 -6.110 -2.651 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.706 -6.171 -3.588 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -8.397 -5.857 -0.101 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.122 -6.549 -1.952 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.217 -5.553 1.674 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.344 -9.596 -3.785 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.209 -9.942 -4.688 1.00 0.00 C ATOM 1392 C ARG A 93 -6.741 -10.182 -6.102 1.00 0.00 C ATOM 1393 O ARG A 93 -7.791 -10.763 -6.289 1.00 0.00 O ATOM 1394 CB ARG A 93 -5.516 -11.212 -4.189 1.00 0.00 C ATOM 1395 CG ARG A 93 -4.405 -11.602 -5.168 1.00 0.00 C ATOM 1396 CD ARG A 93 -4.136 -13.106 -5.072 1.00 0.00 C ATOM 1397 NE ARG A 93 -3.596 -13.598 -6.371 1.00 0.00 N ATOM 1398 CZ ARG A 93 -3.449 -14.879 -6.573 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -4.346 -15.716 -6.128 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -2.405 -15.323 -7.217 1.00 0.00 N ATOM 0 H ARG A 93 -7.651 -10.346 -3.166 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.494 -9.119 -4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.099 -11.046 -3.196 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.239 -12.023 -4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.695 -11.339 -6.185 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.496 -11.045 -4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.426 -13.309 -4.270 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -5.056 -13.636 -4.824 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.341 -12.934 -7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.161 -15.369 -5.623 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.232 -16.717 -6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.703 -14.669 -7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.291 -16.324 -7.375 1.00 0.00 H new ATOM 1414 N GLY A 94 -6.022 -9.744 -7.098 1.00 0.00 N ATOM 1415 CA GLY A 94 -6.485 -9.951 -8.498 1.00 0.00 C ATOM 1416 C GLY A 94 -7.666 -9.024 -8.792 1.00 0.00 C ATOM 1417 O GLY A 94 -8.405 -9.225 -9.736 1.00 0.00 O ATOM 0 H GLY A 94 -5.134 -9.252 -7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.671 -9.750 -9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.780 -10.990 -8.644 1.00 0.00 H new ATOM 1421 N ALA A 95 -7.851 -8.008 -7.994 1.00 0.00 N ATOM 1422 CA ALA A 95 -8.984 -7.070 -8.233 1.00 0.00 C ATOM 1423 C ALA A 95 -8.441 -5.656 -8.442 1.00 0.00 C ATOM 1424 O ALA A 95 -9.025 -4.685 -8.004 1.00 0.00 O ATOM 1425 CB ALA A 95 -9.925 -7.083 -7.026 1.00 0.00 C ATOM 0 H ALA A 95 -7.267 -7.787 -7.187 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.532 -7.384 -9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.753 -6.396 -7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.314 -8.090 -6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.379 -6.771 -6.136 1.00 0.00 H new ATOM 1431 N GLY A 96 -7.327 -5.533 -9.108 1.00 0.00 N ATOM 1432 CA GLY A 96 -6.744 -4.182 -9.345 1.00 0.00 C ATOM 1433 C GLY A 96 -6.158 -3.639 -8.041 1.00 0.00 C ATOM 1434 O GLY A 96 -5.826 -2.476 -7.934 1.00 0.00 O ATOM 0 H GLY A 96 -6.794 -6.310 -9.499 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.968 -4.239 -10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.511 -3.505 -9.720 1.00 0.00 H new ATOM 1438 N MET A 97 -6.029 -4.473 -7.045 1.00 0.00 N ATOM 1439 CA MET A 97 -5.465 -4.003 -5.748 1.00 0.00 C ATOM 1440 C MET A 97 -3.965 -4.309 -5.702 1.00 0.00 C ATOM 1441 O MET A 97 -3.507 -5.095 -4.897 1.00 0.00 O ATOM 1442 CB MET A 97 -6.169 -4.726 -4.598 1.00 0.00 C ATOM 1443 CG MET A 97 -7.496 -4.028 -4.290 1.00 0.00 C ATOM 1444 SD MET A 97 -7.368 -3.161 -2.707 1.00 0.00 S ATOM 1445 CE MET A 97 -8.317 -1.694 -3.173 1.00 0.00 C ATOM 0 H MET A 97 -6.290 -5.459 -7.074 1.00 0.00 H new ATOM 0 HA MET A 97 -5.618 -2.928 -5.652 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.348 -5.768 -4.865 1.00 0.00 H new ATOM 0 HB3 MET A 97 -5.533 -4.728 -3.713 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.741 -3.323 -5.084 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.304 -4.759 -4.252 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.690 -0.808 -3.074 1.00 0.00 H new ATOM 0 HE2 MET A 97 -8.650 -1.789 -4.207 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.184 -1.599 -2.520 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.197 -3.697 -6.563 1.00 0.00 N ATOM 1456 CA VAL A 98 -1.729 -3.956 -6.569 1.00 0.00 C ATOM 1457 C VAL A 98 -0.976 -2.646 -6.812 1.00 0.00 C ATOM 1458 O VAL A 98 -0.449 -2.412 -7.882 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.395 -4.950 -7.683 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.081 -5.341 -7.595 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -2.264 -6.200 -7.525 1.00 0.00 C ATOM 0 H VAL A 98 -3.523 -3.029 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.430 -4.370 -5.606 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.590 -4.490 -8.652 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.318 -6.049 -8.389 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.700 -4.451 -7.706 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.278 -5.802 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.028 -6.910 -8.318 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.068 -6.659 -6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.316 -5.922 -7.588 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.921 -1.787 -5.830 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.204 -0.495 -6.008 1.00 0.00 C ATOM 1473 C GLY A 99 1.267 -0.667 -5.625 1.00 0.00 C ATOM 1474 O GLY A 99 1.654 -1.661 -5.042 1.00 0.00 O ATOM 0 H GLY A 99 -1.343 -1.926 -4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.284 -0.163 -7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.664 0.276 -5.389 1.00 0.00 H new ATOM 1478 N LYS A 100 2.094 0.291 -5.950 1.00 0.00 N ATOM 1479 CA LYS A 100 3.541 0.173 -5.604 1.00 0.00 C ATOM 1480 C LYS A 100 4.099 1.550 -5.236 1.00 0.00 C ATOM 1481 O LYS A 100 3.806 2.540 -5.877 1.00 0.00 O ATOM 1482 CB LYS A 100 4.310 -0.381 -6.807 1.00 0.00 C ATOM 1483 CG LYS A 100 3.405 -1.319 -7.609 1.00 0.00 C ATOM 1484 CD LYS A 100 4.113 -1.738 -8.900 1.00 0.00 C ATOM 1485 CE LYS A 100 3.497 -3.037 -9.422 1.00 0.00 C ATOM 1486 NZ LYS A 100 2.081 -2.794 -9.814 1.00 0.00 N ATOM 0 H LYS A 100 1.832 1.147 -6.438 1.00 0.00 H new ATOM 0 HA LYS A 100 3.653 -0.501 -4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.654 0.437 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.197 -0.917 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.160 -2.199 -7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.465 -0.820 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.020 -0.952 -9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.178 -1.877 -8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.065 -3.403 -10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.545 -3.809 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.741 -3.587 -10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.493 -2.713 -8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.019 -1.912 -10.361 1.00 0.00 H new ATOM 1500 N ILE A 101 4.907 1.620 -4.212 1.00 0.00 N ATOM 1501 CA ILE A 101 5.489 2.931 -3.808 1.00 0.00 C ATOM 1502 C ILE A 101 6.804 3.145 -4.567 1.00 0.00 C ATOM 1503 O ILE A 101 7.696 2.321 -4.531 1.00 0.00 O ATOM 1504 CB ILE A 101 5.727 2.942 -2.279 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.643 3.794 -1.608 1.00 0.00 C ATOM 1506 CG2 ILE A 101 7.106 3.530 -1.939 1.00 0.00 C ATOM 1507 CD1 ILE A 101 5.017 4.057 -0.144 1.00 0.00 C ATOM 0 H ILE A 101 5.189 0.825 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 101 4.803 3.741 -4.053 1.00 0.00 H new ATOM 0 HB ILE A 101 5.687 1.915 -1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.531 4.739 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.682 3.283 -1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.247 3.526 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.884 2.928 -2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.166 4.554 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.242 4.663 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.106 3.108 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.968 4.587 -0.101 1.00 0.00 H new ATOM 1519 N THR A 102 6.932 4.252 -5.240 1.00 0.00 N ATOM 1520 CA THR A 102 8.189 4.528 -5.986 1.00 0.00 C ATOM 1521 C THR A 102 9.030 5.513 -5.178 1.00 0.00 C ATOM 1522 O THR A 102 8.792 6.704 -5.190 1.00 0.00 O ATOM 1523 CB THR A 102 7.853 5.137 -7.350 1.00 0.00 C ATOM 1524 OG1 THR A 102 7.084 4.211 -8.104 1.00 0.00 O ATOM 1525 CG2 THR A 102 9.145 5.462 -8.099 1.00 0.00 C ATOM 0 H THR A 102 6.219 4.979 -5.306 1.00 0.00 H new ATOM 0 HA THR A 102 8.744 3.602 -6.137 1.00 0.00 H new ATOM 0 HB THR A 102 7.280 6.053 -7.208 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.867 4.600 -8.977 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.904 5.895 -9.070 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.732 6.174 -7.519 1.00 0.00 H new ATOM 0 HG23 THR A 102 9.722 4.548 -8.243 1.00 0.00 H new ATOM 1533 N VAL A 103 10.005 5.026 -4.463 1.00 0.00 N ATOM 1534 CA VAL A 103 10.848 5.936 -3.645 1.00 0.00 C ATOM 1535 C VAL A 103 12.148 6.242 -4.390 1.00 0.00 C ATOM 1536 O VAL A 103 13.205 5.756 -4.040 1.00 0.00 O ATOM 1537 CB VAL A 103 11.167 5.260 -2.311 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.568 6.318 -1.286 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.929 4.511 -1.811 1.00 0.00 C ATOM 0 H VAL A 103 10.253 4.038 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 103 10.312 6.868 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 103 11.989 4.557 -2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 103 11.795 5.836 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.449 6.853 -1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.747 7.021 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.155 4.029 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.108 5.215 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.641 3.755 -2.542 1.00 0.00 H new ATOM 1549 N ALA A 104 12.077 7.050 -5.414 1.00 0.00 N ATOM 1550 CA ALA A 104 13.307 7.394 -6.184 1.00 0.00 C ATOM 1551 C ALA A 104 14.456 7.665 -5.212 1.00 0.00 C ATOM 1552 O ALA A 104 14.606 8.757 -4.702 1.00 0.00 O ATOM 1553 CB ALA A 104 13.047 8.646 -7.023 1.00 0.00 C ATOM 0 H ALA A 104 11.219 7.487 -5.751 1.00 0.00 H new ATOM 0 HA ALA A 104 13.571 6.564 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.945 8.899 -7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.226 8.457 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 104 12.785 9.476 -6.367 1.00 0.00 H new