USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 973 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 33 GLN : amide:sc= -0.382 K(o=-0.38,f=-1.3) USER MOD Set 1.2: A 124 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 34 HIS : no HD1:sc= -9.11! C(o=-13!,f=-8.2!) USER MOD Set 2.2: A 115 HIS : no HD1:sc= -3.58 K(o=-13,f=-8.2!) USER MOD Set 3.1: A 66 ASN : amide:sc= -3.23 K(o=-7.2,f=-13!) USER MOD Set 3.2: A 75 ASN : amide:sc= -3.94 K(o=-7.2,f=-8.8!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.018) USER MOD Single : A 17 MET CE :methyl -167:sc=-0.00597 (180deg=-0.0804) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 62:sc= 1.14 USER MOD Single : A 37 ASN : amide:sc= -4.12! X(o=-4.1!,f=-4.1) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 40 THR OG1 : rot 71:sc= 0.412 USER MOD Single : A 43 THR OG1 : rot -84:sc= 1.02 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.13 K(o=-2.1,f=-3) USER MOD Single : A 50 GLN : amide:sc= -4.34! C(o=-4.3!,f=-9.3!) USER MOD Single : A 51 SER OG : rot 24:sc= 0.393 USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 54 TYR OH : rot -31:sc= -3.4! USER MOD Single : A 58 GLN : amide:sc=-0.00755 X(o=-0.0076,f=0) USER MOD Single : A 60 ASN : amide:sc= 0.97 K(o=0.97,f=-0.89) USER MOD Single : A 61 SER OG : rot -63:sc= -0.111 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 19:sc= 0.152 USER MOD Single : A 80 ASN : amide:sc= -0.0152 X(o=-0.015,f=-0.38) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.576 K(o=-0.58,f=-1.1) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.0883 K(o=-0.088,f=-1.2) USER MOD Single : A 118 ASN : amide:sc= -0.0893 K(o=-0.089,f=-0.69) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -1.03 K(o=-1,f=-3.3!) USER MOD Single : A 127 ASN : amide:sc= -0.486 K(o=-0.49,f=0.69) USER MOD ----------------------------------------------------------------- ATOM 23 N VAL A 2 -3.334 6.551 11.488 1.00 0.00 N ATOM 24 CA VAL A 2 -2.626 5.475 12.160 1.00 0.00 C ATOM 25 C VAL A 2 -3.182 4.131 11.687 1.00 0.00 C ATOM 26 O VAL A 2 -4.393 3.970 11.546 1.00 0.00 O ATOM 27 CB VAL A 2 -2.715 5.658 13.677 1.00 0.00 C ATOM 28 CG1 VAL A 2 -2.145 4.442 14.409 1.00 0.00 C ATOM 29 CG2 VAL A 2 -2.011 6.943 14.117 1.00 0.00 C ATOM 0 HA VAL A 2 -1.567 5.497 11.904 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.768 5.746 13.943 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.220 4.597 15.485 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.709 3.552 14.130 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.099 4.309 14.134 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.089 7.049 15.199 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.960 6.898 13.832 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.482 7.799 13.634 1.00 0.00 H new ATOM 39 N TYR A 3 -2.270 3.199 11.453 1.00 0.00 N ATOM 40 CA TYR A 3 -2.653 1.873 10.999 1.00 0.00 C ATOM 41 C TYR A 3 -1.591 0.837 11.371 1.00 0.00 C ATOM 42 O TYR A 3 -0.513 0.808 10.781 1.00 0.00 O ATOM 43 CB TYR A 3 -2.749 1.962 9.474 1.00 0.00 C ATOM 44 CG TYR A 3 -4.152 2.282 8.956 1.00 0.00 C ATOM 45 CD1 TYR A 3 -4.626 3.577 9.002 1.00 0.00 C ATOM 46 CD2 TYR A 3 -4.945 1.275 8.444 1.00 0.00 C ATOM 47 CE1 TYR A 3 -5.947 3.878 8.514 1.00 0.00 C ATOM 48 CE2 TYR A 3 -6.266 1.576 7.956 1.00 0.00 C ATOM 49 CZ TYR A 3 -6.702 2.863 8.016 1.00 0.00 C ATOM 50 OH TYR A 3 -7.949 3.148 7.556 1.00 0.00 O ATOM 0 H TYR A 3 -1.266 3.336 11.569 1.00 0.00 H new ATOM 0 HA TYR A 3 -3.591 1.565 11.461 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.059 2.729 9.121 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.421 1.016 9.044 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.006 4.365 9.404 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.575 0.261 8.409 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -6.329 4.888 8.543 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.896 0.798 7.552 1.00 0.00 H new ATOM 0 HH TYR A 3 -8.373 2.327 7.229 1.00 0.00 H new ATOM 60 N GLU A 4 -1.934 0.012 12.349 1.00 0.00 N ATOM 61 CA GLU A 4 -1.023 -1.024 12.808 1.00 0.00 C ATOM 62 C GLU A 4 -1.435 -2.383 12.239 1.00 0.00 C ATOM 63 O GLU A 4 -2.459 -2.494 11.566 1.00 0.00 O ATOM 64 CB GLU A 4 -0.963 -1.064 14.336 1.00 0.00 C ATOM 65 CG GLU A 4 -2.315 -1.465 14.927 1.00 0.00 C ATOM 66 CD GLU A 4 -2.736 -0.502 16.039 1.00 0.00 C ATOM 67 OE1 GLU A 4 -1.835 -0.088 16.801 1.00 0.00 O ATOM 68 OE2 GLU A 4 -3.948 -0.203 16.103 1.00 0.00 O ATOM 0 H GLU A 4 -2.830 0.039 12.836 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.023 -0.788 12.445 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.198 -1.772 14.655 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.671 -0.086 14.718 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.071 -1.472 14.142 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.256 -2.479 15.322 1.00 0.00 H new ATOM 75 N ARG A 5 -0.618 -3.384 12.532 1.00 0.00 N ATOM 76 CA ARG A 5 -0.885 -4.732 12.059 1.00 0.00 C ATOM 77 C ARG A 5 -2.357 -5.086 12.271 1.00 0.00 C ATOM 78 O ARG A 5 -3.020 -5.575 11.357 1.00 0.00 O ATOM 79 CB ARG A 5 -0.010 -5.754 12.787 1.00 0.00 C ATOM 80 CG ARG A 5 0.223 -5.340 14.241 1.00 0.00 C ATOM 81 CD ARG A 5 1.694 -4.999 14.485 1.00 0.00 C ATOM 82 NE ARG A 5 2.132 -5.551 15.786 1.00 0.00 N ATOM 83 CZ ARG A 5 1.655 -5.146 16.973 1.00 0.00 C ATOM 84 NH1 ARG A 5 0.722 -4.187 17.027 1.00 0.00 N ATOM 85 NH2 ARG A 5 2.111 -5.704 18.103 1.00 0.00 N ATOM 0 H ARG A 5 0.230 -3.289 13.091 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.651 -4.764 10.995 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -0.487 -6.734 12.756 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.947 -5.849 12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.399 -4.477 14.481 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.082 -6.148 14.906 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.308 -5.407 13.682 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.832 -3.918 14.474 1.00 0.00 H new ATOM 0 HE ARG A 5 2.840 -6.285 15.780 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.374 -3.765 16.166 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.359 -3.879 17.929 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.820 -6.436 18.060 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.749 -5.397 19.006 1.00 0.00 H new ATOM 99 N CYS A 6 -2.827 -4.827 13.482 1.00 0.00 N ATOM 100 CA CYS A 6 -4.209 -5.114 13.827 1.00 0.00 C ATOM 101 C CYS A 6 -5.114 -4.341 12.865 1.00 0.00 C ATOM 102 O CYS A 6 -5.683 -4.921 11.941 1.00 0.00 O ATOM 103 CB CYS A 6 -4.510 -4.776 15.288 1.00 0.00 C ATOM 104 SG CYS A 6 -4.590 -6.220 16.409 1.00 0.00 S ATOM 0 H CYS A 6 -2.275 -4.421 14.237 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.398 -6.183 13.724 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.744 -4.092 15.653 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.460 -4.244 15.335 1.00 0.00 H new ATOM 109 N GLU A 7 -5.217 -3.044 13.114 1.00 0.00 N ATOM 110 CA GLU A 7 -6.043 -2.185 12.281 1.00 0.00 C ATOM 111 C GLU A 7 -5.961 -2.627 10.818 1.00 0.00 C ATOM 112 O GLU A 7 -6.952 -3.076 10.245 1.00 0.00 O ATOM 113 CB GLU A 7 -5.638 -0.718 12.435 1.00 0.00 C ATOM 114 CG GLU A 7 -6.606 0.024 13.357 1.00 0.00 C ATOM 115 CD GLU A 7 -7.681 0.755 12.549 1.00 0.00 C ATOM 116 OE1 GLU A 7 -8.440 0.051 11.847 1.00 0.00 O ATOM 117 OE2 GLU A 7 -7.721 2.000 12.651 1.00 0.00 O ATOM 0 H GLU A 7 -4.743 -2.567 13.880 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.078 -2.278 12.611 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.627 -0.657 12.838 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.621 -0.237 11.457 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.077 -0.683 14.040 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.056 0.740 13.968 1.00 0.00 H new ATOM 124 N PHE A 8 -4.769 -2.483 10.257 1.00 0.00 N ATOM 125 CA PHE A 8 -4.544 -2.862 8.871 1.00 0.00 C ATOM 126 C PHE A 8 -5.125 -4.247 8.580 1.00 0.00 C ATOM 127 O PHE A 8 -5.871 -4.421 7.619 1.00 0.00 O ATOM 128 CB PHE A 8 -3.030 -2.901 8.659 1.00 0.00 C ATOM 129 CG PHE A 8 -2.600 -2.694 7.205 1.00 0.00 C ATOM 130 CD1 PHE A 8 -2.459 -1.435 6.711 1.00 0.00 C ATOM 131 CD2 PHE A 8 -2.359 -3.768 6.407 1.00 0.00 C ATOM 132 CE1 PHE A 8 -2.060 -1.242 5.363 1.00 0.00 C ATOM 133 CE2 PHE A 8 -1.960 -3.575 5.058 1.00 0.00 C ATOM 134 CZ PHE A 8 -1.819 -2.316 4.564 1.00 0.00 C ATOM 0 H PHE A 8 -3.949 -2.110 10.736 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.029 -2.148 8.206 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.567 -2.132 9.277 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.649 -3.861 9.007 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.651 -0.582 7.345 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.471 -4.768 6.799 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.948 -0.242 4.971 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.768 -4.428 4.424 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.516 -2.169 3.538 1.00 0.00 H new ATOM 144 N ALA A 9 -4.761 -5.196 9.429 1.00 0.00 N ATOM 145 CA ALA A 9 -5.236 -6.561 9.276 1.00 0.00 C ATOM 146 C ALA A 9 -6.763 -6.557 9.179 1.00 0.00 C ATOM 147 O ALA A 9 -7.333 -7.152 8.266 1.00 0.00 O ATOM 148 CB ALA A 9 -4.728 -7.413 10.440 1.00 0.00 C ATOM 0 H ALA A 9 -4.142 -5.047 10.226 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.848 -7.001 8.357 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.085 -8.437 10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.638 -7.407 10.447 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.099 -7.003 11.380 1.00 0.00 H new ATOM 154 N ARG A 10 -7.382 -5.878 10.135 1.00 0.00 N ATOM 155 CA ARG A 10 -8.832 -5.788 10.169 1.00 0.00 C ATOM 156 C ARG A 10 -9.359 -5.189 8.864 1.00 0.00 C ATOM 157 O ARG A 10 -10.178 -5.803 8.180 1.00 0.00 O ATOM 158 CB ARG A 10 -9.303 -4.927 11.343 1.00 0.00 C ATOM 159 CG ARG A 10 -10.696 -5.353 11.811 1.00 0.00 C ATOM 160 CD ARG A 10 -11.012 -4.773 13.192 1.00 0.00 C ATOM 161 NE ARG A 10 -11.839 -5.727 13.963 1.00 0.00 N ATOM 162 CZ ARG A 10 -12.594 -5.386 15.017 1.00 0.00 C ATOM 163 NH1 ARG A 10 -12.631 -4.111 15.429 1.00 0.00 N ATOM 164 NH2 ARG A 10 -13.312 -6.319 15.657 1.00 0.00 N ATOM 0 H ARG A 10 -6.906 -5.386 10.891 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.223 -6.798 10.293 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.596 -5.013 12.168 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.320 -3.878 11.046 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.443 -5.018 11.092 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.754 -6.441 11.847 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.086 -4.565 13.729 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.539 -3.825 13.086 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.834 -6.705 13.675 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.085 -3.401 14.941 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.205 -3.851 16.231 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.284 -7.289 15.342 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.886 -6.059 16.459 1.00 0.00 H new ATOM 178 N THR A 11 -8.866 -3.998 8.556 1.00 0.00 N ATOM 179 CA THR A 11 -9.276 -3.309 7.344 1.00 0.00 C ATOM 180 C THR A 11 -9.105 -4.222 6.127 1.00 0.00 C ATOM 181 O THR A 11 -10.058 -4.462 5.388 1.00 0.00 O ATOM 182 CB THR A 11 -8.476 -2.009 7.245 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.097 -1.147 8.196 1.00 0.00 O ATOM 184 CG2 THR A 11 -8.680 -1.296 5.907 1.00 0.00 C ATOM 0 H THR A 11 -8.187 -3.493 9.125 1.00 0.00 H new ATOM 0 HA THR A 11 -10.335 -3.054 7.374 1.00 0.00 H new ATOM 0 HB THR A 11 -7.416 -2.223 7.384 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.640 -0.280 8.200 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.090 -0.380 5.889 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.361 -1.949 5.095 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.735 -1.051 5.782 1.00 0.00 H new ATOM 192 N LEU A 12 -7.883 -4.706 5.958 1.00 0.00 N ATOM 193 CA LEU A 12 -7.574 -5.586 4.844 1.00 0.00 C ATOM 194 C LEU A 12 -8.625 -6.695 4.770 1.00 0.00 C ATOM 195 O LEU A 12 -9.259 -6.886 3.733 1.00 0.00 O ATOM 196 CB LEU A 12 -6.139 -6.105 4.953 1.00 0.00 C ATOM 197 CG LEU A 12 -5.246 -5.868 3.734 1.00 0.00 C ATOM 198 CD1 LEU A 12 -4.918 -4.383 3.575 1.00 0.00 C ATOM 199 CD2 LEU A 12 -3.983 -6.731 3.803 1.00 0.00 C ATOM 0 H LEU A 12 -7.095 -4.505 6.574 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.620 -5.039 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.670 -5.638 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.175 -7.177 5.149 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.796 -6.173 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.282 -4.242 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.841 -3.818 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.397 -4.028 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.366 -6.543 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.420 -6.481 4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.263 -7.784 3.831 1.00 0.00 H new ATOM 211 N LYS A 13 -8.778 -7.397 5.883 1.00 0.00 N ATOM 212 CA LYS A 13 -9.741 -8.482 5.958 1.00 0.00 C ATOM 213 C LYS A 13 -11.150 -7.924 5.745 1.00 0.00 C ATOM 214 O LYS A 13 -12.044 -8.639 5.297 1.00 0.00 O ATOM 215 CB LYS A 13 -9.578 -9.254 7.269 1.00 0.00 C ATOM 216 CG LYS A 13 -10.084 -10.691 7.125 1.00 0.00 C ATOM 217 CD LYS A 13 -11.544 -10.807 7.566 1.00 0.00 C ATOM 218 CE LYS A 13 -11.932 -12.268 7.800 1.00 0.00 C ATOM 219 NZ LYS A 13 -13.385 -12.382 8.061 1.00 0.00 N ATOM 0 H LYS A 13 -8.251 -7.235 6.741 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.561 -9.206 5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.528 -9.262 7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.127 -8.749 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.988 -11.012 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.466 -11.359 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.698 -10.235 8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.193 -10.372 6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.665 -12.866 6.928 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.372 -12.669 8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.632 -13.380 8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.630 -11.828 8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.914 -12.019 7.243 1.00 0.00 H new ATOM 233 N ARG A 14 -11.303 -6.650 6.076 1.00 0.00 N ATOM 234 CA ARG A 14 -12.587 -5.987 5.926 1.00 0.00 C ATOM 235 C ARG A 14 -12.792 -5.548 4.474 1.00 0.00 C ATOM 236 O ARG A 14 -13.926 -5.375 4.028 1.00 0.00 O ATOM 237 CB ARG A 14 -12.686 -4.764 6.840 1.00 0.00 C ATOM 238 CG ARG A 14 -14.117 -4.227 6.884 1.00 0.00 C ATOM 239 CD ARG A 14 -14.912 -4.874 8.020 1.00 0.00 C ATOM 240 NE ARG A 14 -16.269 -4.287 8.088 1.00 0.00 N ATOM 241 CZ ARG A 14 -17.287 -4.656 7.298 1.00 0.00 C ATOM 242 NH1 ARG A 14 -17.109 -5.612 6.377 1.00 0.00 N ATOM 243 NH2 ARG A 14 -18.484 -4.068 7.432 1.00 0.00 N ATOM 0 H ARG A 14 -10.559 -6.060 6.447 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.362 -6.700 6.207 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.363 -5.031 7.846 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.012 -3.985 6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.099 -3.145 7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.612 -4.422 5.932 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.980 -5.950 7.860 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -14.395 -4.725 8.968 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.440 -3.556 8.779 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -16.198 -6.060 6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.884 -5.892 5.776 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.619 -3.341 8.134 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -19.260 -4.348 6.832 1.00 0.00 H new ATOM 257 N ASN A 15 -11.677 -5.381 3.778 1.00 0.00 N ATOM 258 CA ASN A 15 -11.720 -4.965 2.385 1.00 0.00 C ATOM 259 C ASN A 15 -11.800 -6.203 1.491 1.00 0.00 C ATOM 260 O ASN A 15 -12.557 -6.225 0.521 1.00 0.00 O ATOM 261 CB ASN A 15 -10.460 -4.186 2.004 1.00 0.00 C ATOM 262 CG ASN A 15 -10.797 -3.019 1.074 1.00 0.00 C ATOM 263 OD1 ASN A 15 -10.672 -3.101 -0.137 1.00 0.00 O ATOM 264 ND2 ASN A 15 -11.231 -1.932 1.706 1.00 0.00 N ATOM 0 H ASN A 15 -10.739 -5.526 4.152 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.593 -4.326 2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.975 -3.810 2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.750 -4.853 1.514 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.483 -1.099 1.174 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.312 -1.931 2.723 1.00 0.00 H new ATOM 271 N GLY A 16 -11.007 -7.204 1.847 1.00 0.00 N ATOM 272 CA GLY A 16 -10.979 -8.443 1.089 1.00 0.00 C ATOM 273 C GLY A 16 -9.756 -8.496 0.171 1.00 0.00 C ATOM 274 O GLY A 16 -9.883 -8.743 -1.027 1.00 0.00 O ATOM 0 H GLY A 16 -10.379 -7.182 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.962 -9.292 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.888 -8.531 0.495 1.00 0.00 H new ATOM 278 N MET A 17 -8.597 -8.260 0.770 1.00 0.00 N ATOM 279 CA MET A 17 -7.351 -8.278 0.022 1.00 0.00 C ATOM 280 C MET A 17 -6.368 -9.286 0.618 1.00 0.00 C ATOM 281 O MET A 17 -5.670 -9.986 -0.114 1.00 0.00 O ATOM 282 CB MET A 17 -6.725 -6.882 0.040 1.00 0.00 C ATOM 283 CG MET A 17 -6.607 -6.316 -1.377 1.00 0.00 C ATOM 284 SD MET A 17 -8.231 -5.978 -2.036 1.00 0.00 S ATOM 285 CE MET A 17 -8.214 -7.049 -3.464 1.00 0.00 C ATOM 0 H MET A 17 -8.495 -8.055 1.764 1.00 0.00 H new ATOM 0 HA MET A 17 -7.569 -8.575 -1.004 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.332 -6.215 0.652 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.738 -6.928 0.501 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.013 -5.402 -1.364 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.085 -7.026 -2.019 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.049 -6.798 -4.117 1.00 0.00 H new ATOM 0 HE2 MET A 17 -7.277 -6.918 -4.006 1.00 0.00 H new ATOM 0 HE3 MET A 17 -8.305 -8.086 -3.142 1.00 0.00 H new ATOM 295 N ALA A 18 -6.345 -9.330 1.943 1.00 0.00 N ATOM 296 CA ALA A 18 -5.459 -10.242 2.647 1.00 0.00 C ATOM 297 C ALA A 18 -5.776 -11.679 2.228 1.00 0.00 C ATOM 298 O ALA A 18 -6.943 -12.054 2.119 1.00 0.00 O ATOM 299 CB ALA A 18 -5.599 -10.029 4.155 1.00 0.00 C ATOM 0 H ALA A 18 -6.926 -8.749 2.547 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.419 -10.045 2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.934 -10.713 4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.333 -9.001 4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.629 -10.220 4.455 1.00 0.00 H new ATOM 305 N GLY A 19 -4.718 -12.445 2.006 1.00 0.00 N ATOM 306 CA GLY A 19 -4.869 -13.831 1.602 1.00 0.00 C ATOM 307 C GLY A 19 -5.069 -13.944 0.089 1.00 0.00 C ATOM 308 O GLY A 19 -5.546 -14.966 -0.403 1.00 0.00 O ATOM 0 H GLY A 19 -3.752 -12.131 2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.987 -14.398 1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.721 -14.273 2.119 1.00 0.00 H new ATOM 312 N TYR A 20 -4.695 -12.881 -0.605 1.00 0.00 N ATOM 313 CA TYR A 20 -4.827 -12.846 -2.052 1.00 0.00 C ATOM 314 C TYR A 20 -4.250 -14.113 -2.685 1.00 0.00 C ATOM 315 O TYR A 20 -3.753 -14.992 -1.982 1.00 0.00 O ATOM 316 CB TYR A 20 -4.014 -11.639 -2.522 1.00 0.00 C ATOM 317 CG TYR A 20 -4.484 -11.053 -3.854 1.00 0.00 C ATOM 318 CD1 TYR A 20 -5.788 -10.624 -3.998 1.00 0.00 C ATOM 319 CD2 TYR A 20 -3.604 -10.952 -4.913 1.00 0.00 C ATOM 320 CE1 TYR A 20 -6.230 -10.072 -5.252 1.00 0.00 C ATOM 321 CE2 TYR A 20 -4.047 -10.401 -6.167 1.00 0.00 C ATOM 322 CZ TYR A 20 -5.338 -9.988 -6.276 1.00 0.00 C ATOM 323 OH TYR A 20 -5.756 -9.466 -7.460 1.00 0.00 O ATOM 0 H TYR A 20 -4.300 -12.036 -0.193 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.876 -12.780 -2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.061 -10.863 -1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.968 -11.932 -2.615 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.477 -10.702 -3.170 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.583 -11.286 -4.801 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.247 -9.732 -5.377 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.369 -10.317 -7.003 1.00 0.00 H new ATOM 0 HH TYR A 20 -5.013 -9.467 -8.099 1.00 0.00 H new ATOM 333 N TYR A 21 -4.333 -14.168 -4.006 1.00 0.00 N ATOM 334 CA TYR A 21 -3.825 -15.314 -4.742 1.00 0.00 C ATOM 335 C TYR A 21 -2.619 -15.930 -4.030 1.00 0.00 C ATOM 336 O TYR A 21 -2.535 -17.149 -3.888 1.00 0.00 O ATOM 337 CB TYR A 21 -3.378 -14.776 -6.103 1.00 0.00 C ATOM 338 CG TYR A 21 -4.324 -15.131 -7.253 1.00 0.00 C ATOM 339 CD1 TYR A 21 -4.579 -16.454 -7.553 1.00 0.00 C ATOM 340 CD2 TYR A 21 -4.921 -14.129 -7.990 1.00 0.00 C ATOM 341 CE1 TYR A 21 -5.468 -16.788 -8.635 1.00 0.00 C ATOM 342 CE2 TYR A 21 -5.810 -14.463 -9.072 1.00 0.00 C ATOM 343 CZ TYR A 21 -6.040 -15.777 -9.341 1.00 0.00 C ATOM 344 OH TYR A 21 -6.880 -16.093 -10.363 1.00 0.00 O ATOM 0 H TYR A 21 -4.745 -13.437 -4.586 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.590 -16.086 -4.828 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.288 -13.691 -6.042 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.386 -15.166 -6.329 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.112 -17.238 -6.976 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.721 -13.094 -7.755 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.676 -17.819 -8.880 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.284 -13.688 -9.657 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.215 -15.270 -10.777 1.00 0.00 H new ATOM 354 N GLY A 22 -1.715 -15.061 -3.604 1.00 0.00 N ATOM 355 CA GLY A 22 -0.518 -15.505 -2.911 1.00 0.00 C ATOM 356 C GLY A 22 -0.248 -14.645 -1.674 1.00 0.00 C ATOM 357 O GLY A 22 -0.324 -15.131 -0.547 1.00 0.00 O ATOM 0 H GLY A 22 -1.787 -14.051 -3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.631 -16.548 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.336 -15.456 -3.586 1.00 0.00 H new ATOM 361 N VAL A 23 0.060 -13.381 -1.928 1.00 0.00 N ATOM 362 CA VAL A 23 0.340 -12.449 -0.850 1.00 0.00 C ATOM 363 C VAL A 23 -0.674 -12.657 0.276 1.00 0.00 C ATOM 364 O VAL A 23 -1.862 -12.388 0.105 1.00 0.00 O ATOM 365 CB VAL A 23 0.350 -11.016 -1.386 1.00 0.00 C ATOM 366 CG1 VAL A 23 1.636 -10.732 -2.166 1.00 0.00 C ATOM 367 CG2 VAL A 23 -0.884 -10.744 -2.247 1.00 0.00 C ATOM 0 H VAL A 23 0.122 -12.981 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 23 1.330 -12.634 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 23 0.319 -10.339 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.618 -9.707 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.496 -10.866 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.711 -11.421 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.852 -9.719 -2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.897 -11.433 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.784 -10.887 -1.649 1.00 0.00 H new ATOM 377 N SER A 24 -0.169 -13.135 1.405 1.00 0.00 N ATOM 378 CA SER A 24 -1.016 -13.384 2.558 1.00 0.00 C ATOM 379 C SER A 24 -1.066 -12.139 3.447 1.00 0.00 C ATOM 380 O SER A 24 -0.220 -11.253 3.330 1.00 0.00 O ATOM 381 CB SER A 24 -0.516 -14.588 3.359 1.00 0.00 C ATOM 382 OG SER A 24 -1.591 -15.363 3.883 1.00 0.00 O ATOM 0 H SER A 24 0.817 -13.356 1.545 1.00 0.00 H new ATOM 0 HA SER A 24 -2.021 -13.611 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.106 -15.215 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.115 -14.242 4.178 1.00 0.00 H new ATOM 0 HG SER A 24 -1.231 -16.123 4.386 1.00 0.00 H new ATOM 388 N LEU A 25 -2.065 -12.112 4.317 1.00 0.00 N ATOM 389 CA LEU A 25 -2.237 -10.991 5.226 1.00 0.00 C ATOM 390 C LEU A 25 -0.887 -10.639 5.855 1.00 0.00 C ATOM 391 O LEU A 25 -0.525 -9.466 5.939 1.00 0.00 O ATOM 392 CB LEU A 25 -3.332 -11.294 6.250 1.00 0.00 C ATOM 393 CG LEU A 25 -3.431 -10.329 7.432 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.635 -8.891 6.949 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.527 -10.766 8.407 1.00 0.00 C ATOM 0 H LEU A 25 -2.764 -12.849 4.412 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.576 -10.109 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.292 -11.304 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.169 -12.299 6.640 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.487 -10.357 7.976 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.702 -8.224 7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.792 -8.594 6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.556 -8.829 6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.576 -10.063 9.238 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.487 -10.785 7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.300 -11.762 8.787 1.00 0.00 H new ATOM 407 N ALA A 26 -0.180 -11.676 6.280 1.00 0.00 N ATOM 408 CA ALA A 26 1.121 -11.490 6.899 1.00 0.00 C ATOM 409 C ALA A 26 2.058 -10.795 5.909 1.00 0.00 C ATOM 410 O ALA A 26 2.799 -9.888 6.281 1.00 0.00 O ATOM 411 CB ALA A 26 1.663 -12.843 7.364 1.00 0.00 C ATOM 0 H ALA A 26 -0.484 -12.647 6.208 1.00 0.00 H new ATOM 0 HA ALA A 26 1.040 -10.852 7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.639 -12.704 7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.976 -13.281 8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.761 -13.510 6.507 1.00 0.00 H new ATOM 417 N ASP A 27 1.994 -11.250 4.665 1.00 0.00 N ATOM 418 CA ASP A 27 2.828 -10.684 3.618 1.00 0.00 C ATOM 419 C ASP A 27 2.461 -9.212 3.421 1.00 0.00 C ATOM 420 O ASP A 27 3.334 -8.377 3.189 1.00 0.00 O ATOM 421 CB ASP A 27 2.609 -11.408 2.288 1.00 0.00 C ATOM 422 CG ASP A 27 3.097 -12.858 2.253 1.00 0.00 C ATOM 423 OD1 ASP A 27 2.303 -13.734 2.658 1.00 0.00 O ATOM 424 OD2 ASP A 27 4.253 -13.056 1.821 1.00 0.00 O ATOM 0 H ASP A 27 1.378 -12.003 4.359 1.00 0.00 H new ATOM 0 HA ASP A 27 3.870 -10.792 3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.544 -11.393 2.054 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.116 -10.851 1.500 1.00 0.00 H new ATOM 429 N TRP A 28 1.169 -8.938 3.520 1.00 0.00 N ATOM 430 CA TRP A 28 0.677 -7.581 3.355 1.00 0.00 C ATOM 431 C TRP A 28 1.234 -6.733 4.500 1.00 0.00 C ATOM 432 O TRP A 28 1.992 -5.792 4.269 1.00 0.00 O ATOM 433 CB TRP A 28 -0.852 -7.557 3.283 1.00 0.00 C ATOM 434 CG TRP A 28 -1.418 -8.018 1.939 1.00 0.00 C ATOM 435 CD1 TRP A 28 -1.974 -9.200 1.640 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.463 -7.253 0.716 1.00 0.00 C ATOM 437 NE1 TRP A 28 -2.372 -9.252 0.319 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.051 -8.030 -0.260 1.00 0.00 C ATOM 439 CE3 TRP A 28 -1.020 -5.946 0.444 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -2.251 -7.589 -1.574 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -1.227 -5.521 -0.874 1.00 0.00 C ATOM 442 CH2 TRP A 28 -1.818 -6.291 -1.868 1.00 0.00 C ATOM 0 H TRP A 28 0.447 -9.633 3.712 1.00 0.00 H new ATOM 0 HA TRP A 28 1.020 -7.159 2.410 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.253 -8.193 4.072 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.199 -6.543 3.484 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.095 -10.010 2.344 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.819 -10.042 -0.146 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.557 -5.320 1.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.715 -8.217 -2.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.904 -4.524 -1.136 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.943 -5.890 -2.863 1.00 0.00 H new ATOM 453 N VAL A 29 0.838 -7.097 5.710 1.00 0.00 N ATOM 454 CA VAL A 29 1.289 -6.382 6.892 1.00 0.00 C ATOM 455 C VAL A 29 2.796 -6.143 6.794 1.00 0.00 C ATOM 456 O VAL A 29 3.256 -5.006 6.883 1.00 0.00 O ATOM 457 CB VAL A 29 0.885 -7.147 8.153 1.00 0.00 C ATOM 458 CG1 VAL A 29 1.820 -6.818 9.319 1.00 0.00 C ATOM 459 CG2 VAL A 29 -0.572 -6.866 8.524 1.00 0.00 C ATOM 0 H VAL A 29 0.209 -7.878 5.898 1.00 0.00 H new ATOM 0 HA VAL A 29 0.809 -5.405 6.954 1.00 0.00 H new ATOM 0 HB VAL A 29 0.977 -8.212 7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.510 -7.376 10.203 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.841 -7.094 9.056 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.776 -5.750 9.530 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.832 -7.423 9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.702 -5.799 8.707 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.222 -7.175 7.706 1.00 0.00 H new ATOM 469 N CYS A 30 3.525 -7.235 6.614 1.00 0.00 N ATOM 470 CA CYS A 30 4.972 -7.160 6.503 1.00 0.00 C ATOM 471 C CYS A 30 5.319 -6.080 5.475 1.00 0.00 C ATOM 472 O CYS A 30 5.997 -5.106 5.798 1.00 0.00 O ATOM 473 CB CYS A 30 5.584 -8.513 6.136 1.00 0.00 C ATOM 474 SG CYS A 30 6.982 -8.432 4.960 1.00 0.00 S ATOM 0 H CYS A 30 3.140 -8.177 6.542 1.00 0.00 H new ATOM 0 HA CYS A 30 5.399 -6.893 7.470 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.924 -9.001 7.049 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.805 -9.144 5.709 1.00 0.00 H new ATOM 479 N LEU A 31 4.838 -6.290 4.258 1.00 0.00 N ATOM 480 CA LEU A 31 5.089 -5.347 3.182 1.00 0.00 C ATOM 481 C LEU A 31 4.706 -3.939 3.643 1.00 0.00 C ATOM 482 O LEU A 31 5.417 -2.975 3.363 1.00 0.00 O ATOM 483 CB LEU A 31 4.376 -5.790 1.903 1.00 0.00 C ATOM 484 CG LEU A 31 4.895 -5.182 0.599 1.00 0.00 C ATOM 485 CD1 LEU A 31 4.225 -5.830 -0.614 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.729 -3.661 0.600 1.00 0.00 C ATOM 0 H LEU A 31 4.276 -7.099 3.994 1.00 0.00 H new ATOM 0 HA LEU A 31 6.151 -5.325 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.448 -6.875 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.318 -5.546 1.998 1.00 0.00 H new ATOM 0 HG LEU A 31 5.962 -5.390 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.612 -5.379 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.437 -6.899 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.148 -5.674 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.106 -3.253 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.674 -3.410 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.289 -3.234 1.432 1.00 0.00 H new ATOM 498 N ALA A 32 3.582 -3.865 4.341 1.00 0.00 N ATOM 499 CA ALA A 32 3.095 -2.591 4.844 1.00 0.00 C ATOM 500 C ALA A 32 4.058 -2.068 5.911 1.00 0.00 C ATOM 501 O ALA A 32 4.188 -0.858 6.096 1.00 0.00 O ATOM 502 CB ALA A 32 1.672 -2.763 5.377 1.00 0.00 C ATOM 0 H ALA A 32 2.994 -4.667 4.570 1.00 0.00 H new ATOM 0 HA ALA A 32 3.056 -1.852 4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.307 -1.808 5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.022 -3.108 4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.672 -3.496 6.184 1.00 0.00 H new ATOM 508 N GLN A 33 4.709 -3.004 6.586 1.00 0.00 N ATOM 509 CA GLN A 33 5.656 -2.652 7.631 1.00 0.00 C ATOM 510 C GLN A 33 6.932 -2.073 7.017 1.00 0.00 C ATOM 511 O GLN A 33 7.367 -0.985 7.392 1.00 0.00 O ATOM 512 CB GLN A 33 5.973 -3.860 8.514 1.00 0.00 C ATOM 513 CG GLN A 33 6.498 -3.419 9.881 1.00 0.00 C ATOM 514 CD GLN A 33 5.418 -2.676 10.669 1.00 0.00 C ATOM 515 OE1 GLN A 33 4.229 -2.852 10.461 1.00 0.00 O ATOM 516 NE2 GLN A 33 5.896 -1.838 11.586 1.00 0.00 N ATOM 0 H GLN A 33 4.599 -4.006 6.430 1.00 0.00 H new ATOM 0 HA GLN A 33 5.201 -1.890 8.264 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.076 -4.465 8.643 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.714 -4.490 8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.830 -4.290 10.445 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.367 -2.774 9.750 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.904 -1.738 11.709 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.255 -1.296 12.165 1.00 0.00 H new ATOM 525 N HIS A 34 7.496 -2.825 6.083 1.00 0.00 N ATOM 526 CA HIS A 34 8.714 -2.399 5.413 1.00 0.00 C ATOM 527 C HIS A 34 8.482 -1.047 4.737 1.00 0.00 C ATOM 528 O HIS A 34 9.422 -0.283 4.529 1.00 0.00 O ATOM 529 CB HIS A 34 9.201 -3.473 4.439 1.00 0.00 C ATOM 530 CG HIS A 34 10.679 -3.401 4.135 1.00 0.00 C ATOM 531 ND1 HIS A 34 11.512 -2.446 4.690 1.00 0.00 N ATOM 532 CD2 HIS A 34 11.462 -4.175 3.330 1.00 0.00 C ATOM 533 CE1 HIS A 34 12.740 -2.645 4.231 1.00 0.00 C ATOM 534 NE2 HIS A 34 12.706 -3.717 3.388 1.00 0.00 N ATOM 0 H HIS A 34 7.132 -3.727 5.774 1.00 0.00 H new ATOM 0 HA HIS A 34 9.510 -2.267 6.146 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.973 -4.455 4.853 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.644 -3.383 3.507 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.126 -5.018 2.744 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.614 -2.061 4.481 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.505 -4.103 2.885 1.00 0.00 H new ATOM 543 N GLU A 35 7.222 -0.792 4.412 1.00 0.00 N ATOM 544 CA GLU A 35 6.855 0.454 3.763 1.00 0.00 C ATOM 545 C GLU A 35 6.852 1.600 4.777 1.00 0.00 C ATOM 546 O GLU A 35 7.652 2.529 4.672 1.00 0.00 O ATOM 547 CB GLU A 35 5.495 0.332 3.071 1.00 0.00 C ATOM 548 CG GLU A 35 5.564 -0.644 1.896 1.00 0.00 C ATOM 549 CD GLU A 35 5.887 0.088 0.592 1.00 0.00 C ATOM 550 OE1 GLU A 35 7.076 0.432 0.414 1.00 0.00 O ATOM 551 OE2 GLU A 35 4.938 0.288 -0.197 1.00 0.00 O ATOM 0 H GLU A 35 6.444 -1.428 4.586 1.00 0.00 H new ATOM 0 HA GLU A 35 7.598 0.674 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.747 -0.008 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.174 1.312 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.325 -1.400 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.613 -1.167 1.797 1.00 0.00 H new ATOM 558 N SER A 36 5.944 1.497 5.737 1.00 0.00 N ATOM 559 CA SER A 36 5.829 2.514 6.770 1.00 0.00 C ATOM 560 C SER A 36 4.446 2.442 7.420 1.00 0.00 C ATOM 561 O SER A 36 3.740 3.447 7.499 1.00 0.00 O ATOM 562 CB SER A 36 6.075 3.911 6.198 1.00 0.00 C ATOM 563 OG SER A 36 7.424 4.332 6.379 1.00 0.00 O ATOM 0 H SER A 36 5.282 0.726 5.821 1.00 0.00 H new ATOM 0 HA SER A 36 6.590 2.323 7.526 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.833 3.915 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.405 4.623 6.680 1.00 0.00 H new ATOM 0 HG SER A 36 8.024 3.723 5.900 1.00 0.00 H new ATOM 569 N ASN A 37 4.099 1.244 7.869 1.00 0.00 N ATOM 570 CA ASN A 37 2.812 1.029 8.510 1.00 0.00 C ATOM 571 C ASN A 37 2.702 1.935 9.739 1.00 0.00 C ATOM 572 O ASN A 37 3.383 2.955 9.825 1.00 0.00 O ATOM 573 CB ASN A 37 2.665 -0.421 8.976 1.00 0.00 C ATOM 574 CG ASN A 37 1.213 -0.890 8.856 1.00 0.00 C ATOM 575 OD1 ASN A 37 0.589 -1.310 9.817 1.00 0.00 O ATOM 576 ND2 ASN A 37 0.713 -0.794 7.627 1.00 0.00 N ATOM 0 H ASN A 37 4.686 0.413 7.802 1.00 0.00 H new ATOM 0 HA ASN A 37 2.031 1.255 7.784 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.310 -1.066 8.379 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.995 -0.510 10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.248 -1.081 7.444 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.291 -0.433 6.868 1.00 0.00 H new ATOM 583 N TYR A 38 1.840 1.526 10.658 1.00 0.00 N ATOM 584 CA TYR A 38 1.632 2.288 11.879 1.00 0.00 C ATOM 585 C TYR A 38 1.097 3.687 11.568 1.00 0.00 C ATOM 586 O TYR A 38 -0.011 4.036 11.972 1.00 0.00 O ATOM 587 CB TYR A 38 3.009 2.416 12.536 1.00 0.00 C ATOM 588 CG TYR A 38 3.278 1.373 13.623 1.00 0.00 C ATOM 589 CD1 TYR A 38 2.279 1.026 14.509 1.00 0.00 C ATOM 590 CD2 TYR A 38 4.520 0.780 13.717 1.00 0.00 C ATOM 591 CE1 TYR A 38 2.532 0.046 15.533 1.00 0.00 C ATOM 592 CE2 TYR A 38 4.774 -0.202 14.740 1.00 0.00 C ATOM 593 CZ TYR A 38 3.768 -0.521 15.597 1.00 0.00 C ATOM 594 OH TYR A 38 4.007 -1.447 16.563 1.00 0.00 O ATOM 0 H TYR A 38 1.278 0.678 10.583 1.00 0.00 H new ATOM 0 HA TYR A 38 0.906 1.791 12.522 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.777 2.331 11.767 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.102 3.411 12.971 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.307 1.490 14.434 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.302 1.052 13.024 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.759 -0.233 16.234 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.742 -0.674 14.824 1.00 0.00 H new ATOM 0 HH TYR A 38 4.930 -1.767 16.488 1.00 0.00 H new ATOM 604 N ASN A 39 1.909 4.451 10.852 1.00 0.00 N ATOM 605 CA ASN A 39 1.531 5.804 10.481 1.00 0.00 C ATOM 606 C ASN A 39 1.226 5.852 8.983 1.00 0.00 C ATOM 607 O ASN A 39 1.837 5.129 8.198 1.00 0.00 O ATOM 608 CB ASN A 39 2.666 6.790 10.764 1.00 0.00 C ATOM 609 CG ASN A 39 3.048 6.776 12.246 1.00 0.00 C ATOM 610 OD1 ASN A 39 3.843 5.970 12.701 1.00 0.00 O ATOM 611 ND2 ASN A 39 2.440 7.711 12.970 1.00 0.00 N ATOM 0 H ASN A 39 2.828 4.158 10.519 1.00 0.00 H new ATOM 0 HA ASN A 39 0.656 6.082 11.069 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.535 6.533 10.158 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.360 7.795 10.473 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.629 7.785 13.970 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.785 8.354 12.526 1.00 0.00 H new ATOM 618 N THR A 40 0.280 6.711 8.632 1.00 0.00 N ATOM 619 CA THR A 40 -0.113 6.863 7.241 1.00 0.00 C ATOM 620 C THR A 40 0.056 8.316 6.794 1.00 0.00 C ATOM 621 O THR A 40 -0.869 8.913 6.244 1.00 0.00 O ATOM 622 CB THR A 40 -1.546 6.346 7.096 1.00 0.00 C ATOM 623 OG1 THR A 40 -2.334 7.306 7.795 1.00 0.00 O ATOM 624 CG2 THR A 40 -1.779 5.043 7.864 1.00 0.00 C ATOM 0 H THR A 40 -0.225 7.308 9.286 1.00 0.00 H new ATOM 0 HA THR A 40 0.528 6.277 6.583 1.00 0.00 H new ATOM 0 HB THR A 40 -1.770 6.191 6.041 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.352 8.145 7.289 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.811 4.720 7.728 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.105 4.273 7.488 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.587 5.206 8.924 1.00 0.00 H new ATOM 632 N ARG A 41 1.245 8.845 7.047 1.00 0.00 N ATOM 633 CA ARG A 41 1.547 10.217 6.678 1.00 0.00 C ATOM 634 C ARG A 41 2.635 10.250 5.602 1.00 0.00 C ATOM 635 O ARG A 41 3.112 11.321 5.229 1.00 0.00 O ATOM 636 CB ARG A 41 2.015 11.024 7.891 1.00 0.00 C ATOM 637 CG ARG A 41 1.766 12.520 7.683 1.00 0.00 C ATOM 638 CD ARG A 41 0.724 13.044 8.673 1.00 0.00 C ATOM 639 NE ARG A 41 0.595 14.512 8.540 1.00 0.00 N ATOM 640 CZ ARG A 41 -0.191 15.271 9.317 1.00 0.00 C ATOM 641 NH1 ARG A 41 -0.923 14.704 10.285 1.00 0.00 N ATOM 642 NH2 ARG A 41 -0.245 16.596 9.124 1.00 0.00 N ATOM 0 H ARG A 41 2.010 8.348 7.503 1.00 0.00 H new ATOM 0 HA ARG A 41 0.632 10.664 6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.489 10.685 8.783 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.077 10.849 8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.700 13.069 7.807 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.426 12.697 6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.239 12.567 8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.016 12.787 9.691 1.00 0.00 H new ATOM 0 HE ARG A 41 1.138 14.976 7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.882 13.695 10.431 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.521 15.281 10.876 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.312 17.027 8.386 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.843 17.174 9.715 1.00 0.00 H new ATOM 656 N ALA A 42 2.996 9.064 5.134 1.00 0.00 N ATOM 657 CA ALA A 42 4.018 8.943 4.109 1.00 0.00 C ATOM 658 C ALA A 42 3.639 9.815 2.911 1.00 0.00 C ATOM 659 O ALA A 42 2.900 9.379 2.030 1.00 0.00 O ATOM 660 CB ALA A 42 4.188 7.472 3.728 1.00 0.00 C ATOM 0 H ALA A 42 2.598 8.178 5.446 1.00 0.00 H new ATOM 0 HA ALA A 42 4.979 9.296 4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.955 7.382 2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.486 6.901 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.244 7.084 3.346 1.00 0.00 H new ATOM 666 N THR A 43 4.161 11.034 2.916 1.00 0.00 N ATOM 667 CA THR A 43 3.887 11.971 1.841 1.00 0.00 C ATOM 668 C THR A 43 5.156 12.736 1.463 1.00 0.00 C ATOM 669 O THR A 43 5.794 13.348 2.318 1.00 0.00 O ATOM 670 CB THR A 43 2.739 12.880 2.288 1.00 0.00 C ATOM 671 OG1 THR A 43 3.022 13.147 3.659 1.00 0.00 O ATOM 672 CG2 THR A 43 1.394 12.152 2.319 1.00 0.00 C ATOM 0 H THR A 43 4.773 11.393 3.649 1.00 0.00 H new ATOM 0 HA THR A 43 3.577 11.453 0.934 1.00 0.00 H new ATOM 0 HB THR A 43 2.672 13.737 1.618 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.674 12.417 4.213 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.614 12.842 2.642 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.159 11.780 1.322 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.449 11.315 3.015 1.00 0.00 H new ATOM 680 N ASN A 44 5.485 12.676 0.181 1.00 0.00 N ATOM 681 CA ASN A 44 6.667 13.356 -0.321 1.00 0.00 C ATOM 682 C ASN A 44 6.439 13.757 -1.780 1.00 0.00 C ATOM 683 O ASN A 44 6.706 12.975 -2.691 1.00 0.00 O ATOM 684 CB ASN A 44 7.892 12.442 -0.268 1.00 0.00 C ATOM 685 CG ASN A 44 8.988 13.044 0.614 1.00 0.00 C ATOM 686 OD1 ASN A 44 9.317 12.537 1.674 1.00 0.00 O ATOM 687 ND2 ASN A 44 9.534 14.151 0.117 1.00 0.00 N ATOM 0 H ASN A 44 4.954 12.167 -0.525 1.00 0.00 H new ATOM 0 HA ASN A 44 6.843 14.232 0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.604 11.465 0.120 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.277 12.285 -1.276 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.275 14.629 0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.211 14.522 -0.777 1.00 0.00 H new ATOM 694 N TYR A 45 5.947 14.975 -1.955 1.00 0.00 N ATOM 695 CA TYR A 45 5.680 15.489 -3.288 1.00 0.00 C ATOM 696 C TYR A 45 6.914 16.186 -3.865 1.00 0.00 C ATOM 697 O TYR A 45 7.806 16.591 -3.121 1.00 0.00 O ATOM 698 CB TYR A 45 4.558 16.516 -3.127 1.00 0.00 C ATOM 699 CG TYR A 45 4.924 17.702 -2.234 1.00 0.00 C ATOM 700 CD1 TYR A 45 5.537 18.812 -2.777 1.00 0.00 C ATOM 701 CD2 TYR A 45 4.641 17.663 -0.883 1.00 0.00 C ATOM 702 CE1 TYR A 45 5.882 19.929 -1.936 1.00 0.00 C ATOM 703 CE2 TYR A 45 4.986 18.780 -0.042 1.00 0.00 C ATOM 704 CZ TYR A 45 5.589 19.857 -0.610 1.00 0.00 C ATOM 705 OH TYR A 45 5.915 20.913 0.183 1.00 0.00 O ATOM 0 H TYR A 45 5.726 15.620 -1.197 1.00 0.00 H new ATOM 0 HA TYR A 45 5.411 14.678 -3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.277 16.889 -4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.681 16.019 -2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.758 18.843 -3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.161 16.795 -0.457 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.362 20.804 -2.349 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.770 18.762 1.016 1.00 0.00 H new ATOM 0 HH TYR A 45 5.646 20.724 1.106 1.00 0.00 H new ATOM 715 N ASN A 46 6.926 16.302 -5.185 1.00 0.00 N ATOM 716 CA ASN A 46 8.036 16.943 -5.869 1.00 0.00 C ATOM 717 C ASN A 46 7.603 17.325 -7.285 1.00 0.00 C ATOM 718 O ASN A 46 7.467 16.462 -8.151 1.00 0.00 O ATOM 719 CB ASN A 46 9.233 15.998 -5.980 1.00 0.00 C ATOM 720 CG ASN A 46 9.935 15.842 -4.629 1.00 0.00 C ATOM 721 OD1 ASN A 46 9.648 14.946 -3.851 1.00 0.00 O ATOM 722 ND2 ASN A 46 10.868 16.760 -4.394 1.00 0.00 N ATOM 0 H ASN A 46 6.185 15.963 -5.799 1.00 0.00 H new ATOM 0 HA ASN A 46 8.324 17.824 -5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.900 15.023 -6.335 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.937 16.382 -6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.393 16.741 -3.520 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.058 17.483 -5.088 1.00 0.00 H new ATOM 729 N ARG A 47 7.398 18.620 -7.479 1.00 0.00 N ATOM 730 CA ARG A 47 6.984 19.127 -8.776 1.00 0.00 C ATOM 731 C ARG A 47 8.168 19.138 -9.744 1.00 0.00 C ATOM 732 O ARG A 47 7.989 18.970 -10.950 1.00 0.00 O ATOM 733 CB ARG A 47 6.417 20.544 -8.657 1.00 0.00 C ATOM 734 CG ARG A 47 5.258 20.754 -9.633 1.00 0.00 C ATOM 735 CD ARG A 47 3.935 20.930 -8.884 1.00 0.00 C ATOM 736 NE ARG A 47 3.811 22.322 -8.397 1.00 0.00 N ATOM 737 CZ ARG A 47 2.776 22.777 -7.678 1.00 0.00 C ATOM 738 NH1 ARG A 47 1.768 21.953 -7.359 1.00 0.00 N ATOM 739 NH2 ARG A 47 2.748 24.055 -7.278 1.00 0.00 N ATOM 0 H ARG A 47 7.511 19.333 -6.759 1.00 0.00 H new ATOM 0 HA ARG A 47 6.205 18.467 -9.158 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.074 20.718 -7.637 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.203 21.272 -8.858 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.451 21.633 -10.249 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.187 19.901 -10.308 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.100 20.691 -9.543 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.888 20.237 -8.044 1.00 0.00 H new ATOM 0 HE ARG A 47 4.560 22.976 -8.623 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.789 20.980 -7.664 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.980 22.299 -6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.515 24.682 -7.521 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.960 24.401 -6.731 1.00 0.00 H new ATOM 753 N GLY A 48 9.350 19.338 -9.181 1.00 0.00 N ATOM 754 CA GLY A 48 10.563 19.374 -9.981 1.00 0.00 C ATOM 755 C GLY A 48 10.460 18.424 -11.176 1.00 0.00 C ATOM 756 O GLY A 48 10.944 18.733 -12.263 1.00 0.00 O ATOM 0 H GLY A 48 9.494 19.477 -8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.740 20.390 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.418 19.097 -9.364 1.00 0.00 H new ATOM 760 N ASP A 49 9.826 17.286 -10.933 1.00 0.00 N ATOM 761 CA ASP A 49 9.652 16.289 -11.976 1.00 0.00 C ATOM 762 C ASP A 49 8.226 15.739 -11.918 1.00 0.00 C ATOM 763 O ASP A 49 8.001 14.560 -12.187 1.00 0.00 O ATOM 764 CB ASP A 49 10.619 15.119 -11.785 1.00 0.00 C ATOM 765 CG ASP A 49 11.193 14.536 -13.079 1.00 0.00 C ATOM 766 OD1 ASP A 49 10.374 14.166 -13.947 1.00 0.00 O ATOM 767 OD2 ASP A 49 12.438 14.473 -13.169 1.00 0.00 O ATOM 0 H ASP A 49 9.427 17.032 -10.029 1.00 0.00 H new ATOM 0 HA ASP A 49 9.849 16.767 -12.936 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.445 15.449 -11.155 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.103 14.326 -11.244 1.00 0.00 H new ATOM 772 N GLN A 50 7.301 16.618 -11.565 1.00 0.00 N ATOM 773 CA GLN A 50 5.902 16.235 -11.468 1.00 0.00 C ATOM 774 C GLN A 50 5.780 14.793 -10.968 1.00 0.00 C ATOM 775 O GLN A 50 5.107 13.973 -11.590 1.00 0.00 O ATOM 776 CB GLN A 50 5.191 16.412 -12.810 1.00 0.00 C ATOM 777 CG GLN A 50 3.704 16.711 -12.608 1.00 0.00 C ATOM 778 CD GLN A 50 2.850 15.479 -12.913 1.00 0.00 C ATOM 779 OE1 GLN A 50 3.225 14.605 -13.677 1.00 0.00 O ATOM 780 NE2 GLN A 50 1.683 15.458 -12.274 1.00 0.00 N ATOM 0 H GLN A 50 7.492 17.595 -11.342 1.00 0.00 H new ATOM 0 HA GLN A 50 5.415 16.891 -10.747 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.656 17.225 -13.368 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.306 15.508 -13.408 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.530 17.033 -11.581 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.404 17.535 -13.255 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.431 16.223 -11.648 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.041 14.677 -12.410 1.00 0.00 H new ATOM 789 N SER A 51 6.441 14.531 -9.851 1.00 0.00 N ATOM 790 CA SER A 51 6.416 13.203 -9.261 1.00 0.00 C ATOM 791 C SER A 51 6.313 13.309 -7.738 1.00 0.00 C ATOM 792 O SER A 51 7.165 13.922 -7.096 1.00 0.00 O ATOM 793 CB SER A 51 7.657 12.400 -9.655 1.00 0.00 C ATOM 794 OG SER A 51 8.830 12.877 -9.000 1.00 0.00 O ATOM 0 H SER A 51 6.997 15.215 -9.338 1.00 0.00 H new ATOM 0 HA SER A 51 5.541 12.676 -9.642 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.504 11.350 -9.406 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.797 12.454 -10.735 1.00 0.00 H new ATOM 0 HG SER A 51 8.578 13.344 -8.176 1.00 0.00 H new ATOM 800 N THR A 52 5.263 12.703 -7.204 1.00 0.00 N ATOM 801 CA THR A 52 5.038 12.721 -5.769 1.00 0.00 C ATOM 802 C THR A 52 5.083 11.300 -5.204 1.00 0.00 C ATOM 803 O THR A 52 4.441 10.396 -5.735 1.00 0.00 O ATOM 804 CB THR A 52 3.711 13.436 -5.507 1.00 0.00 C ATOM 805 OG1 THR A 52 4.039 14.820 -5.597 1.00 0.00 O ATOM 806 CG2 THR A 52 3.225 13.262 -4.067 1.00 0.00 C ATOM 0 H THR A 52 4.558 12.196 -7.740 1.00 0.00 H new ATOM 0 HA THR A 52 5.827 13.268 -5.253 1.00 0.00 H new ATOM 0 HB THR A 52 2.954 13.057 -6.193 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.234 15.358 -5.442 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.280 13.789 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.082 12.202 -3.857 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.967 13.671 -3.381 1.00 0.00 H new ATOM 814 N ASP A 53 5.849 11.148 -4.133 1.00 0.00 N ATOM 815 CA ASP A 53 5.987 9.852 -3.490 1.00 0.00 C ATOM 816 C ASP A 53 5.254 9.874 -2.146 1.00 0.00 C ATOM 817 O ASP A 53 5.752 10.438 -1.173 1.00 0.00 O ATOM 818 CB ASP A 53 7.456 9.524 -3.220 1.00 0.00 C ATOM 819 CG ASP A 53 8.361 9.550 -4.454 1.00 0.00 C ATOM 820 OD1 ASP A 53 8.283 8.576 -5.235 1.00 0.00 O ATOM 821 OD2 ASP A 53 9.109 10.542 -4.589 1.00 0.00 O ATOM 0 H ASP A 53 6.380 11.901 -3.695 1.00 0.00 H new ATOM 0 HA ASP A 53 5.566 9.099 -4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.843 10.234 -2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.514 8.535 -2.766 1.00 0.00 H new ATOM 826 N TYR A 54 4.084 9.253 -2.137 1.00 0.00 N ATOM 827 CA TYR A 54 3.278 9.194 -0.930 1.00 0.00 C ATOM 828 C TYR A 54 2.377 7.958 -0.931 1.00 0.00 C ATOM 829 O TYR A 54 2.248 7.280 -1.950 1.00 0.00 O ATOM 830 CB TYR A 54 2.402 10.449 -0.945 1.00 0.00 C ATOM 831 CG TYR A 54 1.239 10.383 -1.938 1.00 0.00 C ATOM 832 CD1 TYR A 54 1.306 9.534 -3.023 1.00 0.00 C ATOM 833 CD2 TYR A 54 0.124 11.174 -1.748 1.00 0.00 C ATOM 834 CE1 TYR A 54 0.212 9.473 -3.957 1.00 0.00 C ATOM 835 CE2 TYR A 54 -0.970 11.113 -2.681 1.00 0.00 C ATOM 836 CZ TYR A 54 -0.872 10.265 -3.741 1.00 0.00 C ATOM 837 OH TYR A 54 -1.905 10.208 -4.623 1.00 0.00 O ATOM 0 H TYR A 54 3.675 8.786 -2.946 1.00 0.00 H new ATOM 0 HA TYR A 54 3.915 9.139 -0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.003 10.613 0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.024 11.311 -1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.179 8.915 -3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.073 11.839 -0.899 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.251 8.813 -4.811 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.848 11.726 -2.543 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.561 9.997 -5.516 1.00 0.00 H new ATOM 847 N GLY A 55 1.777 7.700 0.222 1.00 0.00 N ATOM 848 CA GLY A 55 0.891 6.557 0.365 1.00 0.00 C ATOM 849 C GLY A 55 1.473 5.533 1.343 1.00 0.00 C ATOM 850 O GLY A 55 2.689 5.387 1.444 1.00 0.00 O ATOM 0 H GLY A 55 1.887 8.263 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.085 6.890 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.735 6.089 -0.607 1.00 0.00 H new ATOM 854 N ILE A 56 0.574 4.851 2.040 1.00 0.00 N ATOM 855 CA ILE A 56 0.982 3.847 3.006 1.00 0.00 C ATOM 856 C ILE A 56 2.036 2.935 2.373 1.00 0.00 C ATOM 857 O ILE A 56 2.937 2.453 3.058 1.00 0.00 O ATOM 858 CB ILE A 56 -0.237 3.095 3.545 1.00 0.00 C ATOM 859 CG1 ILE A 56 0.189 1.895 4.393 1.00 0.00 C ATOM 860 CG2 ILE A 56 -1.177 2.688 2.408 1.00 0.00 C ATOM 861 CD1 ILE A 56 0.221 2.258 5.880 1.00 0.00 C ATOM 0 H ILE A 56 -0.435 4.975 1.954 1.00 0.00 H new ATOM 0 HA ILE A 56 1.446 4.319 3.872 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.793 3.769 4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.502 1.068 4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.175 1.553 4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.035 2.155 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.520 3.579 1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.646 2.039 1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.527 1.388 6.461 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.931 3.069 6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.772 2.576 6.198 1.00 0.00 H new ATOM 873 N PHE A 57 1.888 2.725 1.074 1.00 0.00 N ATOM 874 CA PHE A 57 2.814 1.880 0.341 1.00 0.00 C ATOM 875 C PHE A 57 3.756 2.720 -0.524 1.00 0.00 C ATOM 876 O PHE A 57 4.191 2.277 -1.586 1.00 0.00 O ATOM 877 CB PHE A 57 1.976 0.978 -0.567 1.00 0.00 C ATOM 878 CG PHE A 57 1.415 -0.261 0.134 1.00 0.00 C ATOM 879 CD1 PHE A 57 1.040 -0.193 1.440 1.00 0.00 C ATOM 880 CD2 PHE A 57 1.290 -1.431 -0.549 1.00 0.00 C ATOM 881 CE1 PHE A 57 0.519 -1.342 2.090 1.00 0.00 C ATOM 882 CE2 PHE A 57 0.769 -2.580 0.102 1.00 0.00 C ATOM 883 CZ PHE A 57 0.395 -2.513 1.407 1.00 0.00 C ATOM 0 H PHE A 57 1.139 3.126 0.509 1.00 0.00 H new ATOM 0 HA PHE A 57 3.421 1.303 1.038 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.148 1.558 -0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.588 0.660 -1.411 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.139 0.736 1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.587 -1.486 -1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.221 -1.287 3.127 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.670 -3.509 -0.440 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.000 -3.388 1.902 1.00 0.00 H new ATOM 893 N GLN A 58 4.043 3.918 -0.038 1.00 0.00 N ATOM 894 CA GLN A 58 4.924 4.825 -0.753 1.00 0.00 C ATOM 895 C GLN A 58 4.748 4.655 -2.264 1.00 0.00 C ATOM 896 O GLN A 58 5.558 3.997 -2.916 1.00 0.00 O ATOM 897 CB GLN A 58 6.383 4.609 -0.343 1.00 0.00 C ATOM 898 CG GLN A 58 7.191 5.899 -0.493 1.00 0.00 C ATOM 899 CD GLN A 58 7.747 6.357 0.856 1.00 0.00 C ATOM 900 OE1 GLN A 58 8.669 5.778 1.407 1.00 0.00 O ATOM 901 NE2 GLN A 58 7.137 7.429 1.356 1.00 0.00 N ATOM 0 H GLN A 58 3.681 4.282 0.843 1.00 0.00 H new ATOM 0 HA GLN A 58 4.654 5.847 -0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.427 4.266 0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.825 3.825 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.011 5.739 -1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.559 6.681 -0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.371 7.866 0.843 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.435 7.814 2.252 1.00 0.00 H new ATOM 910 N ILE A 59 3.686 5.259 -2.775 1.00 0.00 N ATOM 911 CA ILE A 59 3.393 5.183 -4.196 1.00 0.00 C ATOM 912 C ILE A 59 3.736 6.521 -4.856 1.00 0.00 C ATOM 913 O ILE A 59 3.525 7.579 -4.266 1.00 0.00 O ATOM 914 CB ILE A 59 1.947 4.739 -4.422 1.00 0.00 C ATOM 915 CG1 ILE A 59 1.795 3.232 -4.202 1.00 0.00 C ATOM 916 CG2 ILE A 59 1.452 5.168 -5.805 1.00 0.00 C ATOM 917 CD1 ILE A 59 0.330 2.857 -3.969 1.00 0.00 C ATOM 0 H ILE A 59 3.017 5.804 -2.230 1.00 0.00 H new ATOM 0 HA ILE A 59 4.013 4.424 -4.672 1.00 0.00 H new ATOM 0 HB ILE A 59 1.318 5.237 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.178 2.694 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.394 2.924 -3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.421 4.840 -5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.501 6.254 -5.888 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.080 4.716 -6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.250 1.781 -3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.043 3.378 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.262 3.145 -4.838 1.00 0.00 H new ATOM 929 N ASN A 60 4.259 6.429 -6.070 1.00 0.00 N ATOM 930 CA ASN A 60 4.632 7.619 -6.815 1.00 0.00 C ATOM 931 C ASN A 60 3.421 8.125 -7.600 1.00 0.00 C ATOM 932 O ASN A 60 2.659 7.332 -8.151 1.00 0.00 O ATOM 933 CB ASN A 60 5.750 7.313 -7.816 1.00 0.00 C ATOM 934 CG ASN A 60 6.516 6.051 -7.415 1.00 0.00 C ATOM 935 OD1 ASN A 60 6.137 4.936 -7.735 1.00 0.00 O ATOM 936 ND2 ASN A 60 7.610 6.287 -6.697 1.00 0.00 N ATOM 0 H ASN A 60 4.433 5.549 -6.556 1.00 0.00 H new ATOM 0 HA ASN A 60 4.979 8.368 -6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.326 7.184 -8.812 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.437 8.158 -7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.189 5.510 -6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.870 7.245 -6.464 1.00 0.00 H new ATOM 943 N SER A 61 3.282 9.443 -7.626 1.00 0.00 N ATOM 944 CA SER A 61 2.176 10.064 -8.333 1.00 0.00 C ATOM 945 C SER A 61 2.582 10.364 -9.778 1.00 0.00 C ATOM 946 O SER A 61 1.798 10.922 -10.543 1.00 0.00 O ATOM 947 CB SER A 61 1.725 11.347 -7.632 1.00 0.00 C ATOM 948 OG SER A 61 1.629 11.179 -6.220 1.00 0.00 O ATOM 0 H SER A 61 3.917 10.097 -7.169 1.00 0.00 H new ATOM 0 HA SER A 61 1.337 9.368 -8.334 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.429 12.148 -7.855 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.757 11.655 -8.027 1.00 0.00 H new ATOM 0 HG SER A 61 0.941 10.512 -6.016 1.00 0.00 H new ATOM 954 N ARG A 62 3.805 9.979 -10.108 1.00 0.00 N ATOM 955 CA ARG A 62 4.324 10.199 -11.447 1.00 0.00 C ATOM 956 C ARG A 62 3.972 9.018 -12.354 1.00 0.00 C ATOM 957 O ARG A 62 4.253 9.045 -13.550 1.00 0.00 O ATOM 958 CB ARG A 62 5.843 10.380 -11.426 1.00 0.00 C ATOM 959 CG ARG A 62 6.506 9.354 -10.504 1.00 0.00 C ATOM 960 CD ARG A 62 7.982 9.170 -10.861 1.00 0.00 C ATOM 961 NE ARG A 62 8.126 8.929 -12.313 1.00 0.00 N ATOM 962 CZ ARG A 62 9.266 9.110 -12.995 1.00 0.00 C ATOM 963 NH1 ARG A 62 10.366 9.533 -12.360 1.00 0.00 N ATOM 964 NH2 ARG A 62 9.304 8.867 -14.312 1.00 0.00 N ATOM 0 H ARG A 62 4.453 9.515 -9.471 1.00 0.00 H new ATOM 0 HA ARG A 62 3.866 11.109 -11.834 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.239 10.276 -12.436 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.088 11.388 -11.090 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.417 9.680 -9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.987 8.399 -10.584 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.547 10.057 -10.574 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.398 8.332 -10.302 1.00 0.00 H new ATOM 0 HE ARG A 62 7.307 8.605 -12.828 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.337 9.718 -11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.233 9.671 -12.879 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.466 8.544 -14.795 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.171 9.005 -14.831 1.00 0.00 H new ATOM 978 N TYR A 63 3.359 8.010 -11.748 1.00 0.00 N ATOM 979 CA TYR A 63 2.965 6.823 -12.487 1.00 0.00 C ATOM 980 C TYR A 63 1.545 6.391 -12.113 1.00 0.00 C ATOM 981 O TYR A 63 0.741 6.069 -12.986 1.00 0.00 O ATOM 982 CB TYR A 63 3.945 5.724 -12.071 1.00 0.00 C ATOM 983 CG TYR A 63 5.035 5.438 -13.105 1.00 0.00 C ATOM 984 CD1 TYR A 63 4.793 4.554 -14.137 1.00 0.00 C ATOM 985 CD2 TYR A 63 6.260 6.067 -13.007 1.00 0.00 C ATOM 986 CE1 TYR A 63 5.821 4.285 -15.111 1.00 0.00 C ATOM 987 CE2 TYR A 63 7.287 5.798 -13.981 1.00 0.00 C ATOM 988 CZ TYR A 63 7.016 4.921 -14.984 1.00 0.00 C ATOM 989 OH TYR A 63 7.985 4.667 -15.905 1.00 0.00 O ATOM 0 H TYR A 63 3.126 7.992 -10.755 1.00 0.00 H new ATOM 0 HA TYR A 63 2.982 7.015 -13.560 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.417 6.009 -11.131 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.387 4.807 -11.883 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.834 4.064 -14.215 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.448 6.760 -12.201 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.646 3.594 -15.923 1.00 0.00 H new ATOM 0 HE2 TYR A 63 8.250 6.282 -13.916 1.00 0.00 H new ATOM 0 HH TYR A 63 8.785 5.191 -15.691 1.00 0.00 H new ATOM 999 N TRP A 64 1.281 6.400 -10.815 1.00 0.00 N ATOM 1000 CA TRP A 64 -0.028 6.014 -10.315 1.00 0.00 C ATOM 1001 C TRP A 64 -0.730 7.274 -9.805 1.00 0.00 C ATOM 1002 O TRP A 64 -0.085 8.291 -9.556 1.00 0.00 O ATOM 1003 CB TRP A 64 0.092 4.924 -9.249 1.00 0.00 C ATOM 1004 CG TRP A 64 0.506 3.558 -9.800 1.00 0.00 C ATOM 1005 CD1 TRP A 64 -0.237 2.693 -10.504 1.00 0.00 C ATOM 1006 CD2 TRP A 64 1.799 2.930 -9.662 1.00 0.00 C ATOM 1007 NE1 TRP A 64 0.480 1.558 -10.829 1.00 0.00 N ATOM 1008 CE2 TRP A 64 1.756 1.708 -10.300 1.00 0.00 C ATOM 1009 CE3 TRP A 64 2.964 3.382 -9.018 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 2.850 0.836 -10.358 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 4.048 2.498 -9.084 1.00 0.00 C ATOM 1012 CH2 TRP A 64 4.022 1.263 -9.724 1.00 0.00 C ATOM 0 H TRP A 64 1.951 6.668 -10.094 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.631 5.577 -11.111 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.821 5.239 -8.502 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.865 4.823 -8.738 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.267 2.862 -10.782 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.136 0.757 -11.359 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.019 4.335 -8.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.792 -0.116 -10.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.969 2.796 -8.604 1.00 0.00 H new ATOM 0 HH2 TRP A 64 4.902 0.637 -9.731 1.00 0.00 H new ATOM 1023 N CYS A 65 -2.043 7.166 -9.665 1.00 0.00 N ATOM 1024 CA CYS A 65 -2.840 8.284 -9.190 1.00 0.00 C ATOM 1025 C CYS A 65 -2.674 9.445 -10.173 1.00 0.00 C ATOM 1026 O CYS A 65 -1.607 9.617 -10.760 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.457 8.685 -7.764 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.166 9.978 -7.650 1.00 0.00 S ATOM 0 H CYS A 65 -2.575 6.321 -9.872 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.890 7.993 -9.147 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.350 9.037 -7.248 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.111 7.798 -7.233 1.00 0.00 H new ATOM 1033 N ASN A 66 -3.745 10.210 -10.321 1.00 0.00 N ATOM 1034 CA ASN A 66 -3.732 11.349 -11.223 1.00 0.00 C ATOM 1035 C ASN A 66 -3.949 12.633 -10.419 1.00 0.00 C ATOM 1036 O ASN A 66 -4.271 12.580 -9.233 1.00 0.00 O ATOM 1037 CB ASN A 66 -4.853 11.245 -12.259 1.00 0.00 C ATOM 1038 CG ASN A 66 -6.157 10.772 -11.612 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -6.372 10.909 -10.418 1.00 0.00 O ATOM 1040 ND2 ASN A 66 -7.011 10.212 -12.462 1.00 0.00 N ATOM 0 H ASN A 66 -4.628 10.064 -9.831 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.769 11.363 -11.734 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.008 12.215 -12.731 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.561 10.551 -13.047 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.910 9.865 -12.127 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.768 10.129 -13.449 1.00 0.00 H new ATOM 1047 N ASP A 67 -3.765 13.756 -11.098 1.00 0.00 N ATOM 1048 CA ASP A 67 -3.937 15.051 -10.461 1.00 0.00 C ATOM 1049 C ASP A 67 -4.713 15.977 -11.401 1.00 0.00 C ATOM 1050 O ASP A 67 -5.781 16.473 -11.047 1.00 0.00 O ATOM 1051 CB ASP A 67 -2.585 15.703 -10.164 1.00 0.00 C ATOM 1052 CG ASP A 67 -2.638 16.895 -9.207 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -3.306 17.886 -9.571 1.00 0.00 O ATOM 1054 OD2 ASP A 67 -2.009 16.788 -8.132 1.00 0.00 O ATOM 0 H ASP A 67 -3.499 13.796 -12.082 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.476 14.898 -9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.919 14.949 -9.744 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.142 16.031 -11.105 1.00 0.00 H new ATOM 1059 N GLY A 68 -4.144 16.182 -12.579 1.00 0.00 N ATOM 1060 CA GLY A 68 -4.769 17.040 -13.573 1.00 0.00 C ATOM 1061 C GLY A 68 -4.018 18.367 -13.701 1.00 0.00 C ATOM 1062 O GLY A 68 -4.432 19.249 -14.453 1.00 0.00 O ATOM 0 H GLY A 68 -3.257 15.769 -12.868 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.786 16.533 -14.538 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.806 17.230 -13.295 1.00 0.00 H new ATOM 1066 N LYS A 69 -2.926 18.467 -12.957 1.00 0.00 N ATOM 1067 CA LYS A 69 -2.114 19.672 -12.978 1.00 0.00 C ATOM 1068 C LYS A 69 -1.017 19.524 -14.034 1.00 0.00 C ATOM 1069 O LYS A 69 -0.401 20.509 -14.436 1.00 0.00 O ATOM 1070 CB LYS A 69 -1.581 19.983 -11.578 1.00 0.00 C ATOM 1071 CG LYS A 69 -2.161 21.297 -11.050 1.00 0.00 C ATOM 1072 CD LYS A 69 -2.368 21.236 -9.535 1.00 0.00 C ATOM 1073 CE LYS A 69 -3.846 21.411 -9.176 1.00 0.00 C ATOM 1074 NZ LYS A 69 -4.115 20.880 -7.821 1.00 0.00 N ATOM 0 H LYS A 69 -2.585 17.733 -12.336 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.718 20.533 -13.263 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.836 19.170 -10.899 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.493 20.046 -11.605 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.490 22.120 -11.296 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.111 21.503 -11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.008 20.281 -9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.778 22.015 -9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.115 22.466 -9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.468 20.893 -9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.122 21.006 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.877 19.868 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.535 21.392 -7.126 1.00 0.00 H new ATOM 1088 N THR A 70 -0.808 18.284 -14.453 1.00 0.00 N ATOM 1089 CA THR A 70 0.205 17.995 -15.455 1.00 0.00 C ATOM 1090 C THR A 70 -0.255 16.851 -16.362 1.00 0.00 C ATOM 1091 O THR A 70 -0.262 15.692 -15.950 1.00 0.00 O ATOM 1092 CB THR A 70 1.519 17.702 -14.729 1.00 0.00 C ATOM 1093 OG1 THR A 70 2.095 18.990 -14.521 1.00 0.00 O ATOM 1094 CG2 THR A 70 2.533 16.981 -15.620 1.00 0.00 C ATOM 0 H THR A 70 -1.322 17.469 -14.118 1.00 0.00 H new ATOM 0 HA THR A 70 0.364 18.849 -16.114 1.00 0.00 H new ATOM 0 HB THR A 70 1.318 17.097 -13.845 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.401 19.677 -14.609 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.447 16.797 -15.056 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.115 16.031 -15.952 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.760 17.601 -16.488 1.00 0.00 H new ATOM 1102 N PRO A 71 -0.638 17.227 -17.611 1.00 0.00 N ATOM 1103 CA PRO A 71 -1.099 16.248 -18.580 1.00 0.00 C ATOM 1104 C PRO A 71 0.074 15.442 -19.145 1.00 0.00 C ATOM 1105 O PRO A 71 0.283 15.409 -20.357 1.00 0.00 O ATOM 1106 CB PRO A 71 -1.829 17.055 -19.641 1.00 0.00 C ATOM 1107 CG PRO A 71 -1.354 18.489 -19.473 1.00 0.00 C ATOM 1108 CD PRO A 71 -0.643 18.591 -18.134 1.00 0.00 C ATOM 0 HA PRO A 71 -1.762 15.502 -18.141 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.602 16.683 -20.640 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.909 16.983 -19.512 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.681 18.766 -20.285 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.198 19.178 -19.510 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.371 18.973 -18.252 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.164 19.271 -17.460 1.00 0.00 H new ATOM 1116 N ARG A 72 0.809 14.813 -18.239 1.00 0.00 N ATOM 1117 CA ARG A 72 1.955 14.010 -18.631 1.00 0.00 C ATOM 1118 C ARG A 72 1.955 12.680 -17.875 1.00 0.00 C ATOM 1119 O ARG A 72 2.147 11.623 -18.473 1.00 0.00 O ATOM 1120 CB ARG A 72 3.265 14.748 -18.353 1.00 0.00 C ATOM 1121 CG ARG A 72 4.154 14.777 -19.598 1.00 0.00 C ATOM 1122 CD ARG A 72 4.006 16.104 -20.346 1.00 0.00 C ATOM 1123 NE ARG A 72 5.340 16.627 -20.717 1.00 0.00 N ATOM 1124 CZ ARG A 72 6.259 17.039 -19.833 1.00 0.00 C ATOM 1125 NH1 ARG A 72 5.993 16.992 -18.520 1.00 0.00 N ATOM 1126 NH2 ARG A 72 7.442 17.499 -20.260 1.00 0.00 N ATOM 0 H ARG A 72 0.633 14.843 -17.235 1.00 0.00 H new ATOM 0 HA ARG A 72 1.878 13.822 -19.702 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.051 15.767 -18.031 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.795 14.260 -17.535 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.195 14.632 -19.309 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.888 13.951 -20.258 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.401 15.961 -21.241 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.484 16.828 -19.720 1.00 0.00 H new ATOM 0 HE ARG A 72 5.575 16.677 -21.708 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.092 16.643 -18.194 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.692 17.305 -17.847 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.644 17.536 -21.259 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.141 17.812 -19.586 1.00 0.00 H new ATOM 1140 N ALA A 73 1.738 12.778 -16.572 1.00 0.00 N ATOM 1141 CA ALA A 73 1.710 11.596 -15.727 1.00 0.00 C ATOM 1142 C ALA A 73 0.960 10.475 -16.449 1.00 0.00 C ATOM 1143 O ALA A 73 0.195 10.734 -17.378 1.00 0.00 O ATOM 1144 CB ALA A 73 1.079 11.945 -14.378 1.00 0.00 C ATOM 0 H ALA A 73 1.580 13.658 -16.080 1.00 0.00 H new ATOM 0 HA ALA A 73 2.722 11.242 -15.531 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.059 11.058 -13.745 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.667 12.724 -13.892 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.061 12.303 -14.534 1.00 0.00 H new ATOM 1150 N VAL A 74 1.203 9.255 -15.996 1.00 0.00 N ATOM 1151 CA VAL A 74 0.560 8.094 -16.587 1.00 0.00 C ATOM 1152 C VAL A 74 -0.190 7.323 -15.498 1.00 0.00 C ATOM 1153 O VAL A 74 0.025 6.125 -15.322 1.00 0.00 O ATOM 1154 CB VAL A 74 1.594 7.239 -17.320 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.756 6.871 -16.396 1.00 0.00 C ATOM 1156 CG2 VAL A 74 0.947 5.985 -17.914 1.00 0.00 C ATOM 0 H VAL A 74 1.837 9.045 -15.225 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.174 8.402 -17.332 1.00 0.00 H new ATOM 0 HB VAL A 74 1.995 7.831 -18.143 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.477 6.263 -16.942 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.242 7.780 -16.043 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.378 6.307 -15.543 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.704 5.394 -18.430 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.505 5.390 -17.115 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.170 6.276 -18.621 1.00 0.00 H new ATOM 1166 N ASN A 75 -1.056 8.041 -14.798 1.00 0.00 N ATOM 1167 CA ASN A 75 -1.839 7.439 -13.732 1.00 0.00 C ATOM 1168 C ASN A 75 -2.296 6.045 -14.166 1.00 0.00 C ATOM 1169 O ASN A 75 -3.273 5.910 -14.902 1.00 0.00 O ATOM 1170 CB ASN A 75 -3.085 8.273 -13.427 1.00 0.00 C ATOM 1171 CG ASN A 75 -3.891 8.540 -14.699 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -3.368 8.576 -15.801 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -5.191 8.726 -14.488 1.00 0.00 N ATOM 0 H ASN A 75 -1.233 9.034 -14.948 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.213 7.387 -12.841 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.708 7.751 -12.701 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.791 9.219 -12.973 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.814 8.912 -15.274 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.565 8.683 -13.540 1.00 0.00 H new ATOM 1180 N ALA A 76 -1.569 5.044 -13.692 1.00 0.00 N ATOM 1181 CA ALA A 76 -1.889 3.666 -14.022 1.00 0.00 C ATOM 1182 C ALA A 76 -2.966 3.153 -13.064 1.00 0.00 C ATOM 1183 O ALA A 76 -3.533 2.084 -13.278 1.00 0.00 O ATOM 1184 CB ALA A 76 -0.614 2.821 -13.971 1.00 0.00 C ATOM 0 H ALA A 76 -0.760 5.160 -13.082 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.288 3.596 -15.034 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.853 1.787 -14.218 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.108 3.209 -14.689 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.188 2.865 -12.969 1.00 0.00 H new ATOM 1190 N CYS A 77 -3.215 3.941 -12.028 1.00 0.00 N ATOM 1191 CA CYS A 77 -4.215 3.580 -11.037 1.00 0.00 C ATOM 1192 C CYS A 77 -5.550 4.201 -11.453 1.00 0.00 C ATOM 1193 O CYS A 77 -6.603 3.588 -11.285 1.00 0.00 O ATOM 1194 CB CYS A 77 -3.798 4.012 -9.630 1.00 0.00 C ATOM 1195 SG CYS A 77 -4.644 3.124 -8.272 1.00 0.00 S ATOM 0 H CYS A 77 -2.742 4.828 -11.853 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.317 2.495 -10.998 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.723 3.868 -9.525 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -3.989 5.080 -9.521 1.00 0.00 H new ATOM 1200 N GLY A 78 -5.462 5.410 -11.987 1.00 0.00 N ATOM 1201 CA GLY A 78 -6.650 6.121 -12.428 1.00 0.00 C ATOM 1202 C GLY A 78 -7.529 6.512 -11.238 1.00 0.00 C ATOM 1203 O GLY A 78 -8.717 6.192 -11.209 1.00 0.00 O ATOM 0 H GLY A 78 -4.587 5.915 -12.124 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.359 7.015 -12.979 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.219 5.494 -13.115 1.00 0.00 H new ATOM 1207 N ILE A 79 -6.912 7.196 -10.287 1.00 0.00 N ATOM 1208 CA ILE A 79 -7.623 7.632 -9.097 1.00 0.00 C ATOM 1209 C ILE A 79 -7.022 8.949 -8.602 1.00 0.00 C ATOM 1210 O ILE A 79 -5.838 9.211 -8.809 1.00 0.00 O ATOM 1211 CB ILE A 79 -7.632 6.525 -8.041 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -6.645 6.835 -6.913 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -7.365 5.159 -8.677 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -5.204 6.817 -7.426 1.00 0.00 C ATOM 0 H ILE A 79 -5.927 7.459 -10.316 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.670 7.826 -9.330 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.626 6.485 -7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.871 7.812 -6.486 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.759 6.103 -6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.377 4.390 -7.905 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.138 4.944 -9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.390 5.169 -9.165 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.523 7.040 -6.605 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.974 5.831 -7.831 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.087 7.567 -8.209 1.00 0.00 H new ATOM 1226 N ASN A 80 -7.865 9.742 -7.958 1.00 0.00 N ATOM 1227 CA ASN A 80 -7.430 11.026 -7.433 1.00 0.00 C ATOM 1228 C ASN A 80 -6.321 10.801 -6.403 1.00 0.00 C ATOM 1229 O ASN A 80 -6.500 10.046 -5.447 1.00 0.00 O ATOM 1230 CB ASN A 80 -8.582 11.754 -6.736 1.00 0.00 C ATOM 1231 CG ASN A 80 -9.529 12.387 -7.758 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -10.080 11.727 -8.624 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -9.686 13.698 -7.610 1.00 0.00 N ATOM 0 H ASN A 80 -8.846 9.521 -7.788 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.074 11.630 -8.268 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.133 11.053 -6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.184 12.526 -6.077 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.298 14.213 -8.243 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.195 14.189 -6.863 1.00 0.00 H new ATOM 1240 N CYS A 81 -5.201 11.471 -6.631 1.00 0.00 N ATOM 1241 CA CYS A 81 -4.064 11.354 -5.735 1.00 0.00 C ATOM 1242 C CYS A 81 -4.522 11.730 -4.325 1.00 0.00 C ATOM 1243 O CYS A 81 -4.066 11.146 -3.343 1.00 0.00 O ATOM 1244 CB CYS A 81 -2.886 12.214 -6.200 1.00 0.00 C ATOM 1245 SG CYS A 81 -2.100 11.660 -7.758 1.00 0.00 S ATOM 0 H CYS A 81 -5.057 12.097 -7.424 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.702 10.326 -5.736 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.231 13.240 -6.328 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.131 12.228 -5.414 1.00 0.00 H new ATOM 1250 N SER A 82 -5.419 12.704 -4.269 1.00 0.00 N ATOM 1251 CA SER A 82 -5.945 13.165 -2.995 1.00 0.00 C ATOM 1252 C SER A 82 -6.509 11.983 -2.203 1.00 0.00 C ATOM 1253 O SER A 82 -6.579 12.030 -0.976 1.00 0.00 O ATOM 1254 CB SER A 82 -7.023 14.231 -3.197 1.00 0.00 C ATOM 1255 OG SER A 82 -6.955 15.254 -2.207 1.00 0.00 O ATOM 0 H SER A 82 -5.795 13.187 -5.085 1.00 0.00 H new ATOM 0 HA SER A 82 -5.128 13.616 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.912 14.676 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.007 13.762 -3.167 1.00 0.00 H new ATOM 0 HG SER A 82 -7.658 15.916 -2.372 1.00 0.00 H new ATOM 1261 N ALA A 83 -6.897 10.951 -2.937 1.00 0.00 N ATOM 1262 CA ALA A 83 -7.453 9.759 -2.320 1.00 0.00 C ATOM 1263 C ALA A 83 -6.400 9.125 -1.407 1.00 0.00 C ATOM 1264 O ALA A 83 -6.739 8.388 -0.483 1.00 0.00 O ATOM 1265 CB ALA A 83 -7.937 8.798 -3.407 1.00 0.00 C ATOM 0 H ALA A 83 -6.837 10.916 -3.955 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.315 10.013 -1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.354 7.904 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.704 9.286 -4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.099 8.518 -4.045 1.00 0.00 H new ATOM 1271 N LEU A 84 -5.147 9.436 -1.699 1.00 0.00 N ATOM 1272 CA LEU A 84 -4.042 8.906 -0.918 1.00 0.00 C ATOM 1273 C LEU A 84 -3.626 9.937 0.134 1.00 0.00 C ATOM 1274 O LEU A 84 -2.621 9.758 0.819 1.00 0.00 O ATOM 1275 CB LEU A 84 -2.900 8.465 -1.834 1.00 0.00 C ATOM 1276 CG LEU A 84 -3.308 7.715 -3.103 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -2.112 6.985 -3.718 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -4.478 6.767 -2.827 1.00 0.00 C ATOM 0 H LEU A 84 -4.871 10.049 -2.466 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.351 8.009 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.333 9.349 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.226 7.828 -1.261 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.650 8.445 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.430 6.460 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.337 7.708 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.716 6.267 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.749 6.246 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.186 6.039 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.334 7.340 -2.469 1.00 0.00 H new ATOM 1290 N LEU A 85 -4.420 10.993 0.227 1.00 0.00 N ATOM 1291 CA LEU A 85 -4.146 12.052 1.183 1.00 0.00 C ATOM 1292 C LEU A 85 -5.331 12.187 2.141 1.00 0.00 C ATOM 1293 O LEU A 85 -5.496 13.220 2.789 1.00 0.00 O ATOM 1294 CB LEU A 85 -3.792 13.351 0.455 1.00 0.00 C ATOM 1295 CG LEU A 85 -2.486 14.024 0.881 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -2.165 15.217 -0.020 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -2.528 14.417 2.358 1.00 0.00 C ATOM 0 H LEU A 85 -5.253 11.138 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.274 11.804 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.738 13.142 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.607 14.060 0.601 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.677 13.304 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.232 15.677 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.063 14.877 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.971 15.948 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.587 14.893 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.350 15.113 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.676 13.526 2.968 1.00 0.00 H new ATOM 1309 N GLN A 86 -6.126 11.129 2.201 1.00 0.00 N ATOM 1310 CA GLN A 86 -7.291 11.116 3.070 1.00 0.00 C ATOM 1311 C GLN A 86 -6.979 10.366 4.366 1.00 0.00 C ATOM 1312 O GLN A 86 -5.813 10.171 4.710 1.00 0.00 O ATOM 1313 CB GLN A 86 -8.499 10.503 2.359 1.00 0.00 C ATOM 1314 CG GLN A 86 -8.557 10.946 0.895 1.00 0.00 C ATOM 1315 CD GLN A 86 -9.998 11.218 0.461 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -10.639 10.413 -0.194 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -10.470 12.396 0.861 1.00 0.00 N ATOM 0 H GLN A 86 -5.987 10.274 1.662 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.543 12.146 3.321 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.443 9.416 2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.415 10.800 2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.957 11.846 0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.122 10.174 0.260 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.880 13.023 1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.422 12.672 0.621 1.00 0.00 H new ATOM 1326 N ASP A 87 -8.039 9.965 5.051 1.00 0.00 N ATOM 1327 CA ASP A 87 -7.893 9.239 6.301 1.00 0.00 C ATOM 1328 C ASP A 87 -7.854 7.737 6.013 1.00 0.00 C ATOM 1329 O ASP A 87 -6.804 7.106 6.132 1.00 0.00 O ATOM 1330 CB ASP A 87 -9.073 9.510 7.237 1.00 0.00 C ATOM 1331 CG ASP A 87 -10.279 10.182 6.578 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -10.714 9.663 5.528 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -10.738 11.200 7.139 1.00 0.00 O ATOM 0 H ASP A 87 -9.004 10.129 4.764 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.971 9.571 6.777 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.396 8.565 7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.729 10.139 8.058 1.00 0.00 H new ATOM 1338 N ASP A 88 -9.009 7.208 5.640 1.00 0.00 N ATOM 1339 CA ASP A 88 -9.121 5.791 5.334 1.00 0.00 C ATOM 1340 C ASP A 88 -8.076 5.419 4.280 1.00 0.00 C ATOM 1341 O ASP A 88 -7.654 6.265 3.492 1.00 0.00 O ATOM 1342 CB ASP A 88 -10.503 5.457 4.769 1.00 0.00 C ATOM 1343 CG ASP A 88 -11.470 4.816 5.766 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -11.751 5.478 6.789 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -11.908 3.681 5.483 1.00 0.00 O ATOM 0 H ASP A 88 -9.877 7.735 5.542 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.965 5.232 6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.954 6.373 4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.379 4.783 3.921 1.00 0.00 H new ATOM 1350 N ILE A 89 -7.688 4.152 4.299 1.00 0.00 N ATOM 1351 CA ILE A 89 -6.702 3.657 3.354 1.00 0.00 C ATOM 1352 C ILE A 89 -7.415 2.945 2.203 1.00 0.00 C ATOM 1353 O ILE A 89 -6.770 2.358 1.336 1.00 0.00 O ATOM 1354 CB ILE A 89 -5.667 2.785 4.068 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -6.319 1.535 4.663 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -4.905 3.590 5.122 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -5.320 0.379 4.742 1.00 0.00 C ATOM 0 H ILE A 89 -8.039 3.453 4.954 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.143 4.486 2.919 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.938 2.448 3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.701 1.759 5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.173 1.241 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.176 2.947 5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.389 4.422 4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.606 3.976 5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.810 -0.497 5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.959 0.141 3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.479 0.667 5.372 1.00 0.00 H new ATOM 1369 N THR A 90 -8.738 3.023 2.231 1.00 0.00 N ATOM 1370 CA THR A 90 -9.546 2.394 1.201 1.00 0.00 C ATOM 1371 C THR A 90 -8.949 2.661 -0.183 1.00 0.00 C ATOM 1372 O THR A 90 -9.055 1.827 -1.080 1.00 0.00 O ATOM 1373 CB THR A 90 -10.982 2.900 1.352 1.00 0.00 C ATOM 1374 OG1 THR A 90 -11.687 2.266 0.288 1.00 0.00 O ATOM 1375 CG2 THR A 90 -11.112 4.393 1.046 1.00 0.00 C ATOM 0 H THR A 90 -9.270 3.512 2.951 1.00 0.00 H new ATOM 0 HA THR A 90 -9.555 1.310 1.312 1.00 0.00 H new ATOM 0 HB THR A 90 -11.330 2.705 2.366 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.628 2.537 0.312 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.151 4.700 1.168 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.483 4.961 1.731 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.796 4.583 0.020 1.00 0.00 H new ATOM 1383 N ALA A 91 -8.337 3.828 -0.311 1.00 0.00 N ATOM 1384 CA ALA A 91 -7.723 4.217 -1.570 1.00 0.00 C ATOM 1385 C ALA A 91 -6.413 3.447 -1.753 1.00 0.00 C ATOM 1386 O ALA A 91 -6.116 2.970 -2.847 1.00 0.00 O ATOM 1387 CB ALA A 91 -7.517 5.732 -1.592 1.00 0.00 C ATOM 0 H ALA A 91 -8.253 4.518 0.436 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.373 3.965 -2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.057 6.023 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.480 6.232 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.867 6.023 -0.767 1.00 0.00 H new ATOM 1393 N ALA A 92 -5.664 3.351 -0.663 1.00 0.00 N ATOM 1394 CA ALA A 92 -4.393 2.648 -0.690 1.00 0.00 C ATOM 1395 C ALA A 92 -4.635 1.178 -1.039 1.00 0.00 C ATOM 1396 O ALA A 92 -3.853 0.574 -1.771 1.00 0.00 O ATOM 1397 CB ALA A 92 -3.686 2.818 0.657 1.00 0.00 C ATOM 0 H ALA A 92 -5.913 3.748 0.243 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.740 3.066 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.732 2.290 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.511 3.877 0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.311 2.407 1.450 1.00 0.00 H new ATOM 1403 N ILE A 93 -5.721 0.646 -0.499 1.00 0.00 N ATOM 1404 CA ILE A 93 -6.076 -0.742 -0.745 1.00 0.00 C ATOM 1405 C ILE A 93 -6.601 -0.884 -2.174 1.00 0.00 C ATOM 1406 O ILE A 93 -6.130 -1.731 -2.932 1.00 0.00 O ATOM 1407 CB ILE A 93 -7.052 -1.242 0.321 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -6.584 -0.846 1.723 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -7.274 -2.751 0.197 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -7.516 -1.414 2.794 1.00 0.00 C ATOM 0 H ILE A 93 -6.367 1.150 0.108 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.196 -1.380 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.015 -0.759 0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.570 -1.211 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.549 0.240 1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.972 -3.081 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.685 -2.979 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.324 -3.270 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.160 -1.117 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.524 -1.028 2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.529 -2.502 2.725 1.00 0.00 H new ATOM 1422 N GLN A 94 -7.572 -0.042 -2.501 1.00 0.00 N ATOM 1423 CA GLN A 94 -8.166 -0.064 -3.827 1.00 0.00 C ATOM 1424 C GLN A 94 -7.087 0.122 -4.896 1.00 0.00 C ATOM 1425 O GLN A 94 -7.097 -0.562 -5.917 1.00 0.00 O ATOM 1426 CB GLN A 94 -9.255 1.003 -3.956 1.00 0.00 C ATOM 1427 CG GLN A 94 -10.202 0.682 -5.115 1.00 0.00 C ATOM 1428 CD GLN A 94 -11.495 0.041 -4.605 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -11.507 -0.718 -3.650 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -12.578 0.388 -5.294 1.00 0.00 N ATOM 0 H GLN A 94 -7.961 0.659 -1.871 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.635 -1.036 -3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.820 1.065 -3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -8.796 1.979 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -10.436 1.595 -5.662 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.709 0.008 -5.816 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -12.497 1.029 -6.084 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -13.490 0.014 -5.033 1.00 0.00 H new ATOM 1439 N CYS A 95 -6.182 1.051 -4.623 1.00 0.00 N ATOM 1440 CA CYS A 95 -5.099 1.335 -5.548 1.00 0.00 C ATOM 1441 C CYS A 95 -4.131 0.151 -5.532 1.00 0.00 C ATOM 1442 O CYS A 95 -3.752 -0.361 -6.585 1.00 0.00 O ATOM 1443 CB CYS A 95 -4.396 2.651 -5.210 1.00 0.00 C ATOM 1444 SG CYS A 95 -3.586 3.475 -6.629 1.00 0.00 S ATOM 0 H CYS A 95 -6.177 1.616 -3.774 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.500 1.462 -6.553 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.126 3.336 -4.778 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.646 2.459 -4.443 1.00 0.00 H new ATOM 1449 N ALA A 96 -3.756 -0.251 -4.326 1.00 0.00 N ATOM 1450 CA ALA A 96 -2.840 -1.365 -4.159 1.00 0.00 C ATOM 1451 C ALA A 96 -3.303 -2.536 -5.028 1.00 0.00 C ATOM 1452 O ALA A 96 -2.497 -3.160 -5.716 1.00 0.00 O ATOM 1453 CB ALA A 96 -2.752 -1.737 -2.678 1.00 0.00 C ATOM 0 H ALA A 96 -4.071 0.176 -3.455 1.00 0.00 H new ATOM 0 HA ALA A 96 -1.837 -1.089 -4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.064 -2.573 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.390 -0.881 -2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.740 -2.022 -2.315 1.00 0.00 H new ATOM 1459 N LYS A 97 -4.600 -2.799 -4.967 1.00 0.00 N ATOM 1460 CA LYS A 97 -5.181 -3.885 -5.739 1.00 0.00 C ATOM 1461 C LYS A 97 -5.204 -3.495 -7.219 1.00 0.00 C ATOM 1462 O LYS A 97 -4.857 -4.301 -8.082 1.00 0.00 O ATOM 1463 CB LYS A 97 -6.554 -4.265 -5.181 1.00 0.00 C ATOM 1464 CG LYS A 97 -7.543 -3.107 -5.324 1.00 0.00 C ATOM 1465 CD LYS A 97 -8.976 -3.575 -5.066 1.00 0.00 C ATOM 1466 CE LYS A 97 -9.974 -2.778 -5.908 1.00 0.00 C ATOM 1467 NZ LYS A 97 -10.529 -3.621 -6.991 1.00 0.00 N ATOM 0 H LYS A 97 -5.265 -2.279 -4.395 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.570 -4.783 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.935 -5.140 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.460 -4.540 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.284 -2.314 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.470 -2.683 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.063 -4.636 -5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.215 -3.461 -4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.782 -2.411 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.482 -1.904 -6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.204 -3.064 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.757 -3.950 -7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.016 -4.441 -6.577 1.00 0.00 H new ATOM 1481 N ARG A 98 -5.616 -2.261 -7.467 1.00 0.00 N ATOM 1482 CA ARG A 98 -5.690 -1.757 -8.827 1.00 0.00 C ATOM 1483 C ARG A 98 -4.308 -1.796 -9.483 1.00 0.00 C ATOM 1484 O ARG A 98 -4.199 -1.854 -10.707 1.00 0.00 O ATOM 1485 CB ARG A 98 -6.218 -0.320 -8.854 1.00 0.00 C ATOM 1486 CG ARG A 98 -6.444 0.154 -10.291 1.00 0.00 C ATOM 1487 CD ARG A 98 -7.919 0.481 -10.535 1.00 0.00 C ATOM 1488 NE ARG A 98 -8.103 0.996 -11.910 1.00 0.00 N ATOM 1489 CZ ARG A 98 -9.140 1.752 -12.297 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -10.092 2.084 -11.415 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -9.224 2.173 -13.565 1.00 0.00 N ATOM 0 H ARG A 98 -5.902 -1.595 -6.749 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.378 -2.396 -9.380 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.153 -0.262 -8.297 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.509 0.341 -8.356 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.835 1.037 -10.487 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.119 -0.618 -10.988 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.527 -0.412 -10.388 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.260 1.222 -9.812 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.396 0.761 -12.607 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.028 1.762 -10.449 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.881 2.659 -11.709 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.499 1.918 -14.236 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.013 2.748 -13.860 1.00 0.00 H new ATOM 1505 N VAL A 99 -3.286 -1.764 -8.641 1.00 0.00 N ATOM 1506 CA VAL A 99 -1.917 -1.796 -9.123 1.00 0.00 C ATOM 1507 C VAL A 99 -1.480 -3.249 -9.311 1.00 0.00 C ATOM 1508 O VAL A 99 -1.051 -3.637 -10.396 1.00 0.00 O ATOM 1509 CB VAL A 99 -1.007 -1.017 -8.170 1.00 0.00 C ATOM 1510 CG1 VAL A 99 0.466 -1.224 -8.526 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -1.367 0.470 -8.163 1.00 0.00 C ATOM 0 H VAL A 99 -3.379 -1.716 -7.626 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.844 -1.306 -10.094 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.165 -1.405 -7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.090 -0.660 -7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.712 -2.284 -8.455 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.647 -0.877 -9.543 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.706 1.001 -7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.252 0.877 -9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.400 0.593 -7.838 1.00 0.00 H new ATOM 1521 N VAL A 100 -1.604 -4.015 -8.237 1.00 0.00 N ATOM 1522 CA VAL A 100 -1.228 -5.418 -8.269 1.00 0.00 C ATOM 1523 C VAL A 100 -1.998 -6.123 -9.388 1.00 0.00 C ATOM 1524 O VAL A 100 -1.528 -7.116 -9.940 1.00 0.00 O ATOM 1525 CB VAL A 100 -1.455 -6.053 -6.895 1.00 0.00 C ATOM 1526 CG1 VAL A 100 -1.089 -7.538 -6.911 1.00 0.00 C ATOM 1527 CG2 VAL A 100 -0.675 -5.308 -5.811 1.00 0.00 C ATOM 0 H VAL A 100 -1.960 -3.690 -7.338 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.166 -5.523 -8.489 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.516 -5.972 -6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.259 -7.965 -5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.708 -8.057 -7.643 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.039 -7.651 -7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.854 -5.780 -4.845 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.390 -5.343 -6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.004 -4.270 -5.774 1.00 0.00 H new ATOM 1537 N ARG A 101 -3.169 -5.580 -9.689 1.00 0.00 N ATOM 1538 CA ARG A 101 -4.010 -6.143 -10.732 1.00 0.00 C ATOM 1539 C ARG A 101 -3.208 -6.311 -12.026 1.00 0.00 C ATOM 1540 O ARG A 101 -3.596 -7.081 -12.904 1.00 0.00 O ATOM 1541 CB ARG A 101 -5.223 -5.252 -11.004 1.00 0.00 C ATOM 1542 CG ARG A 101 -6.488 -6.092 -11.189 1.00 0.00 C ATOM 1543 CD ARG A 101 -7.734 -5.205 -11.227 1.00 0.00 C ATOM 1544 NE ARG A 101 -7.927 -4.660 -12.590 1.00 0.00 N ATOM 1545 CZ ARG A 101 -8.329 -5.389 -13.640 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -8.582 -6.696 -13.491 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -8.477 -4.810 -14.840 1.00 0.00 N ATOM 0 H ARG A 101 -3.555 -4.756 -9.229 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.360 -7.116 -10.387 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.361 -4.557 -10.176 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -5.046 -4.653 -11.897 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.417 -6.665 -12.114 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.574 -6.811 -10.374 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.610 -5.782 -10.930 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.632 -4.389 -10.511 1.00 0.00 H new ATOM 0 HE ARG A 101 -7.742 -3.668 -12.739 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -8.469 -7.137 -12.578 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -8.888 -7.251 -14.290 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -8.284 -3.815 -14.953 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.783 -5.365 -15.640 1.00 0.00 H new ATOM 1561 N ASP A 102 -2.108 -5.579 -12.102 1.00 0.00 N ATOM 1562 CA ASP A 102 -1.250 -5.637 -13.273 1.00 0.00 C ATOM 1563 C ASP A 102 -0.358 -6.876 -13.185 1.00 0.00 C ATOM 1564 O ASP A 102 -0.397 -7.606 -12.196 1.00 0.00 O ATOM 1565 CB ASP A 102 -0.342 -4.407 -13.353 1.00 0.00 C ATOM 1566 CG ASP A 102 -0.553 -3.528 -14.587 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -1.710 -3.478 -15.058 1.00 0.00 O ATOM 1568 OD2 ASP A 102 0.448 -2.925 -15.032 1.00 0.00 O ATOM 0 H ASP A 102 -1.790 -4.942 -11.372 1.00 0.00 H new ATOM 0 HA ASP A 102 -1.888 -5.673 -14.156 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -0.499 -3.800 -12.462 1.00 0.00 H new ATOM 0 HB3 ASP A 102 0.696 -4.738 -13.335 1.00 0.00 H new ATOM 1573 N PRO A 103 0.447 -7.083 -14.263 1.00 0.00 N ATOM 1574 CA PRO A 103 1.347 -8.223 -14.316 1.00 0.00 C ATOM 1575 C PRO A 103 2.560 -8.007 -13.409 1.00 0.00 C ATOM 1576 O PRO A 103 3.437 -8.865 -13.325 1.00 0.00 O ATOM 1577 CB PRO A 103 1.720 -8.359 -15.783 1.00 0.00 C ATOM 1578 CG PRO A 103 1.391 -7.021 -16.424 1.00 0.00 C ATOM 1579 CD PRO A 103 0.521 -6.241 -15.452 1.00 0.00 C ATOM 0 HA PRO A 103 0.887 -9.140 -13.947 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.778 -8.596 -15.896 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.160 -9.166 -16.255 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.304 -6.469 -16.646 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.869 -7.169 -17.370 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.957 -5.269 -15.222 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.469 -6.055 -15.868 1.00 0.00 H new ATOM 1587 N GLN A 104 2.569 -6.857 -12.751 1.00 0.00 N ATOM 1588 CA GLN A 104 3.660 -6.517 -11.853 1.00 0.00 C ATOM 1589 C GLN A 104 3.625 -7.414 -10.614 1.00 0.00 C ATOM 1590 O GLN A 104 4.553 -8.186 -10.376 1.00 0.00 O ATOM 1591 CB GLN A 104 3.608 -5.039 -11.461 1.00 0.00 C ATOM 1592 CG GLN A 104 3.542 -4.145 -12.701 1.00 0.00 C ATOM 1593 CD GLN A 104 4.912 -3.542 -13.015 1.00 0.00 C ATOM 1594 OE1 GLN A 104 5.336 -2.559 -12.430 1.00 0.00 O ATOM 1595 NE2 GLN A 104 5.579 -4.183 -13.971 1.00 0.00 N ATOM 0 H GLN A 104 1.838 -6.149 -12.822 1.00 0.00 H new ATOM 0 HA GLN A 104 4.601 -6.687 -12.375 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.738 -4.857 -10.830 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.488 -4.784 -10.871 1.00 0.00 H new ATOM 0 HG2 GLN A 104 3.192 -4.726 -13.554 1.00 0.00 H new ATOM 0 HG3 GLN A 104 2.817 -3.347 -12.540 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.166 -5.000 -14.421 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.503 -3.857 -14.254 1.00 0.00 H new ATOM 1604 N GLY A 105 2.545 -7.283 -9.858 1.00 0.00 N ATOM 1605 CA GLY A 105 2.377 -8.072 -8.649 1.00 0.00 C ATOM 1606 C GLY A 105 3.183 -7.481 -7.491 1.00 0.00 C ATOM 1607 O GLY A 105 4.112 -6.704 -7.709 1.00 0.00 O ATOM 0 H GLY A 105 1.777 -6.642 -10.059 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.322 -8.110 -8.380 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.697 -9.098 -8.833 1.00 0.00 H new ATOM 1611 N ILE A 106 2.799 -7.870 -6.285 1.00 0.00 N ATOM 1612 CA ILE A 106 3.475 -7.388 -5.092 1.00 0.00 C ATOM 1613 C ILE A 106 4.986 -7.406 -5.325 1.00 0.00 C ATOM 1614 O ILE A 106 5.719 -6.615 -4.732 1.00 0.00 O ATOM 1615 CB ILE A 106 3.031 -8.187 -3.865 1.00 0.00 C ATOM 1616 CG1 ILE A 106 1.660 -7.720 -3.372 1.00 0.00 C ATOM 1617 CG2 ILE A 106 4.088 -8.128 -2.761 1.00 0.00 C ATOM 1618 CD1 ILE A 106 1.803 -6.691 -2.248 1.00 0.00 C ATOM 0 H ILE A 106 2.028 -8.514 -6.107 1.00 0.00 H new ATOM 0 HA ILE A 106 3.197 -6.354 -4.887 1.00 0.00 H new ATOM 0 HB ILE A 106 2.928 -9.232 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.101 -7.284 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.087 -8.576 -3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.748 -8.704 -1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.024 -8.547 -3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.247 -7.091 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.814 -6.375 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.341 -7.138 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.356 -5.826 -2.615 1.00 0.00 H new ATOM 1630 N ARG A 107 5.409 -8.317 -6.189 1.00 0.00 N ATOM 1631 CA ARG A 107 6.820 -8.448 -6.507 1.00 0.00 C ATOM 1632 C ARG A 107 7.467 -7.067 -6.637 1.00 0.00 C ATOM 1633 O ARG A 107 8.615 -6.876 -6.243 1.00 0.00 O ATOM 1634 CB ARG A 107 7.022 -9.223 -7.811 1.00 0.00 C ATOM 1635 CG ARG A 107 8.394 -9.898 -7.842 1.00 0.00 C ATOM 1636 CD ARG A 107 8.254 -11.419 -7.944 1.00 0.00 C ATOM 1637 NE ARG A 107 9.338 -11.971 -8.788 1.00 0.00 N ATOM 1638 CZ ARG A 107 9.429 -13.259 -9.145 1.00 0.00 C ATOM 1639 NH1 ARG A 107 8.503 -14.136 -8.734 1.00 0.00 N ATOM 1640 NH2 ARG A 107 10.447 -13.670 -9.913 1.00 0.00 N ATOM 0 H ARG A 107 4.799 -8.972 -6.679 1.00 0.00 H new ATOM 0 HA ARG A 107 7.292 -8.999 -5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.240 -9.975 -7.916 1.00 0.00 H new ATOM 0 HB3 ARG A 107 6.927 -8.545 -8.659 1.00 0.00 H new ATOM 0 HG2 ARG A 107 8.968 -9.524 -8.690 1.00 0.00 H new ATOM 0 HG3 ARG A 107 8.951 -9.640 -6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 107 8.294 -11.864 -6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 107 7.284 -11.676 -8.370 1.00 0.00 H new ATOM 0 HE ARG A 107 10.060 -11.331 -9.118 1.00 0.00 H new ATOM 0 HH11 ARG A 107 7.728 -13.823 -8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 107 8.573 -15.117 -9.006 1.00 0.00 H new ATOM 0 HH21 ARG A 107 11.152 -13.002 -10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 107 10.517 -14.651 -10.185 1.00 0.00 H new ATOM 1654 N ALA A 108 6.699 -6.140 -7.190 1.00 0.00 N ATOM 1655 CA ALA A 108 7.182 -4.782 -7.377 1.00 0.00 C ATOM 1656 C ALA A 108 7.935 -4.336 -6.122 1.00 0.00 C ATOM 1657 O ALA A 108 8.926 -3.614 -6.212 1.00 0.00 O ATOM 1658 CB ALA A 108 6.005 -3.863 -7.708 1.00 0.00 C ATOM 0 H ALA A 108 5.746 -6.302 -7.515 1.00 0.00 H new ATOM 0 HA ALA A 108 7.879 -4.734 -8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.367 -2.844 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.522 -4.206 -8.623 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.286 -3.883 -6.889 1.00 0.00 H new ATOM 1664 N TRP A 109 7.436 -4.787 -4.980 1.00 0.00 N ATOM 1665 CA TRP A 109 8.049 -4.443 -3.708 1.00 0.00 C ATOM 1666 C TRP A 109 9.058 -5.539 -3.358 1.00 0.00 C ATOM 1667 O TRP A 109 8.852 -6.298 -2.414 1.00 0.00 O ATOM 1668 CB TRP A 109 6.987 -4.241 -2.624 1.00 0.00 C ATOM 1669 CG TRP A 109 6.052 -3.058 -2.883 1.00 0.00 C ATOM 1670 CD1 TRP A 109 6.328 -1.750 -2.786 1.00 0.00 C ATOM 1671 CD2 TRP A 109 4.668 -3.128 -3.289 1.00 0.00 C ATOM 1672 NE1 TRP A 109 5.229 -0.976 -3.098 1.00 0.00 N ATOM 1673 CE2 TRP A 109 4.188 -1.841 -3.413 1.00 0.00 C ATOM 1674 CE3 TRP A 109 3.851 -4.244 -3.542 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 2.873 -1.547 -3.795 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 2.539 -3.932 -3.922 1.00 0.00 C ATOM 1677 CH2 TRP A 109 2.040 -2.642 -4.052 1.00 0.00 C ATOM 0 H TRP A 109 6.614 -5.387 -4.909 1.00 0.00 H new ATOM 0 HA TRP A 109 8.577 -3.492 -3.779 1.00 0.00 H new ATOM 0 HB2 TRP A 109 6.391 -5.150 -2.539 1.00 0.00 H new ATOM 0 HB3 TRP A 109 7.484 -4.095 -1.665 1.00 0.00 H new ATOM 0 HD1 TRP A 109 7.290 -1.352 -2.500 1.00 0.00 H new ATOM 0 HE1 TRP A 109 5.188 0.043 -3.098 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.206 -5.260 -3.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.521 -0.530 -3.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 1.868 -4.753 -4.129 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.014 -2.485 -4.350 1.00 0.00 H new ATOM 1688 N VAL A 110 10.127 -5.584 -4.140 1.00 0.00 N ATOM 1689 CA VAL A 110 11.169 -6.574 -3.924 1.00 0.00 C ATOM 1690 C VAL A 110 11.475 -6.670 -2.428 1.00 0.00 C ATOM 1691 O VAL A 110 11.899 -7.717 -1.943 1.00 0.00 O ATOM 1692 CB VAL A 110 12.400 -6.229 -4.765 1.00 0.00 C ATOM 1693 CG1 VAL A 110 13.057 -4.939 -4.272 1.00 0.00 C ATOM 1694 CG2 VAL A 110 13.401 -7.386 -4.771 1.00 0.00 C ATOM 0 H VAL A 110 10.294 -4.952 -4.923 1.00 0.00 H new ATOM 0 HA VAL A 110 10.834 -7.558 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 110 12.070 -6.066 -5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.929 -4.717 -4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 110 12.344 -4.117 -4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 110 13.367 -5.062 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 110 14.267 -7.115 -5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.722 -7.595 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.928 -8.274 -5.191 1.00 0.00 H new ATOM 1704 N ALA A 111 11.247 -5.562 -1.738 1.00 0.00 N ATOM 1705 CA ALA A 111 11.492 -5.507 -0.307 1.00 0.00 C ATOM 1706 C ALA A 111 10.834 -6.714 0.365 1.00 0.00 C ATOM 1707 O ALA A 111 11.464 -7.401 1.168 1.00 0.00 O ATOM 1708 CB ALA A 111 10.978 -4.178 0.250 1.00 0.00 C ATOM 0 H ALA A 111 10.895 -4.695 -2.144 1.00 0.00 H new ATOM 0 HA ALA A 111 12.561 -5.555 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.162 -4.138 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.497 -3.354 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.908 -4.094 0.062 1.00 0.00 H new ATOM 1714 N TRP A 112 9.577 -6.935 0.012 1.00 0.00 N ATOM 1715 CA TRP A 112 8.827 -8.046 0.571 1.00 0.00 C ATOM 1716 C TRP A 112 9.635 -9.326 0.342 1.00 0.00 C ATOM 1717 O TRP A 112 9.533 -10.276 1.116 1.00 0.00 O ATOM 1718 CB TRP A 112 7.419 -8.114 -0.025 1.00 0.00 C ATOM 1719 CG TRP A 112 7.029 -9.500 -0.543 1.00 0.00 C ATOM 1720 CD1 TRP A 112 6.172 -10.374 0.003 1.00 0.00 C ATOM 1721 CD2 TRP A 112 7.518 -10.139 -1.741 1.00 0.00 C ATOM 1722 NE1 TRP A 112 6.075 -11.525 -0.751 1.00 0.00 N ATOM 1723 CE2 TRP A 112 6.918 -11.377 -1.846 1.00 0.00 C ATOM 1724 CE3 TRP A 112 8.437 -9.686 -2.704 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 7.172 -12.265 -2.899 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 8.679 -10.585 -3.750 1.00 0.00 C ATOM 1727 CH2 TRP A 112 8.083 -11.835 -3.870 1.00 0.00 C ATOM 0 H TRP A 112 9.059 -6.363 -0.655 1.00 0.00 H new ATOM 0 HA TRP A 112 8.683 -7.912 1.643 1.00 0.00 H new ATOM 0 HB2 TRP A 112 6.699 -7.805 0.733 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.347 -7.398 -0.844 1.00 0.00 H new ATOM 0 HD1 TRP A 112 5.626 -10.199 0.918 1.00 0.00 H new ATOM 0 HE1 TRP A 112 5.492 -12.336 -0.543 1.00 0.00 H new ATOM 0 HE3 TRP A 112 8.918 -8.721 -2.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 6.690 -13.230 -2.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 9.378 -10.286 -4.517 1.00 0.00 H new ATOM 0 HH2 TRP A 112 8.322 -12.472 -4.709 1.00 0.00 H new ATOM 1738 N ARG A 113 10.420 -9.308 -0.725 1.00 0.00 N ATOM 1739 CA ARG A 113 11.246 -10.454 -1.066 1.00 0.00 C ATOM 1740 C ARG A 113 12.368 -10.623 -0.041 1.00 0.00 C ATOM 1741 O ARG A 113 12.947 -11.702 0.079 1.00 0.00 O ATOM 1742 CB ARG A 113 11.857 -10.297 -2.460 1.00 0.00 C ATOM 1743 CG ARG A 113 12.204 -11.659 -3.063 1.00 0.00 C ATOM 1744 CD ARG A 113 12.955 -11.499 -4.386 1.00 0.00 C ATOM 1745 NE ARG A 113 14.405 -11.701 -4.172 1.00 0.00 N ATOM 1746 CZ ARG A 113 14.978 -12.899 -3.986 1.00 0.00 C ATOM 1747 NH1 ARG A 113 14.226 -14.007 -3.987 1.00 0.00 N ATOM 1748 NH2 ARG A 113 16.302 -12.986 -3.799 1.00 0.00 N ATOM 0 H ARG A 113 10.502 -8.518 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 113 10.607 -11.337 -1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 113 11.156 -9.775 -3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 113 12.755 -9.682 -2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 113 12.815 -12.226 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 113 11.291 -12.231 -3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 113 12.583 -12.219 -5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 113 12.775 -10.506 -4.798 1.00 0.00 H new ATOM 0 HE ARG A 113 15.007 -10.877 -4.166 1.00 0.00 H new ATOM 0 HH11 ARG A 113 13.218 -13.939 -4.129 1.00 0.00 H new ATOM 0 HH12 ARG A 113 14.661 -14.919 -3.846 1.00 0.00 H new ATOM 0 HH21 ARG A 113 16.874 -12.141 -3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 113 16.738 -13.897 -3.657 1.00 0.00 H new ATOM 1762 N ALA A 114 12.643 -9.541 0.673 1.00 0.00 N ATOM 1763 CA ALA A 114 13.686 -9.557 1.684 1.00 0.00 C ATOM 1764 C ALA A 114 13.126 -9.007 2.998 1.00 0.00 C ATOM 1765 O ALA A 114 13.847 -8.376 3.769 1.00 0.00 O ATOM 1766 CB ALA A 114 14.892 -8.758 1.186 1.00 0.00 C ATOM 0 H ALA A 114 12.161 -8.648 0.571 1.00 0.00 H new ATOM 0 HA ALA A 114 14.024 -10.577 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.675 -8.770 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.271 -9.205 0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.591 -7.729 0.991 1.00 0.00 H new ATOM 1772 N HIS A 115 11.844 -9.266 3.211 1.00 0.00 N ATOM 1773 CA HIS A 115 11.179 -8.805 4.418 1.00 0.00 C ATOM 1774 C HIS A 115 10.046 -9.769 4.779 1.00 0.00 C ATOM 1775 O HIS A 115 9.870 -10.116 5.946 1.00 0.00 O ATOM 1776 CB HIS A 115 10.699 -7.361 4.256 1.00 0.00 C ATOM 1777 CG HIS A 115 11.203 -6.423 5.327 1.00 0.00 C ATOM 1778 ND1 HIS A 115 10.378 -5.881 6.297 1.00 0.00 N ATOM 1779 CD2 HIS A 115 12.455 -5.939 5.571 1.00 0.00 C ATOM 1780 CE1 HIS A 115 11.112 -5.105 7.083 1.00 0.00 C ATOM 1781 NE2 HIS A 115 12.398 -5.143 6.631 1.00 0.00 N ATOM 0 H HIS A 115 11.249 -9.789 2.569 1.00 0.00 H new ATOM 0 HA HIS A 115 11.885 -8.801 5.248 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.019 -6.990 3.282 1.00 0.00 H new ATOM 0 HB3 HIS A 115 9.609 -7.349 4.260 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.342 -6.165 4.998 1.00 0.00 H new ATOM 0 HE1 HIS A 115 10.754 -4.542 7.932 1.00 0.00 H new ATOM 0 HE2 HIS A 115 13.186 -4.642 7.040 1.00 0.00 H new ATOM 1790 N CYS A 116 9.307 -10.173 3.757 1.00 0.00 N ATOM 1791 CA CYS A 116 8.197 -11.089 3.951 1.00 0.00 C ATOM 1792 C CYS A 116 8.730 -12.519 3.849 1.00 0.00 C ATOM 1793 O CYS A 116 8.669 -13.279 4.814 1.00 0.00 O ATOM 1794 CB CYS A 116 7.066 -10.828 2.954 1.00 0.00 C ATOM 1795 SG CYS A 116 5.985 -9.413 3.371 1.00 0.00 S ATOM 0 H CYS A 116 9.456 -9.882 2.791 1.00 0.00 H new ATOM 0 HA CYS A 116 7.764 -10.934 4.939 1.00 0.00 H new ATOM 0 HB2 CYS A 116 7.501 -10.656 1.969 1.00 0.00 H new ATOM 0 HB3 CYS A 116 6.452 -11.726 2.879 1.00 0.00 H new ATOM 1800 N GLN A 117 9.241 -12.843 2.670 1.00 0.00 N ATOM 1801 CA GLN A 117 9.786 -14.169 2.429 1.00 0.00 C ATOM 1802 C GLN A 117 11.166 -14.301 3.073 1.00 0.00 C ATOM 1803 O GLN A 117 12.141 -14.630 2.399 1.00 0.00 O ATOM 1804 CB GLN A 117 9.848 -14.471 0.930 1.00 0.00 C ATOM 1805 CG GLN A 117 8.811 -15.526 0.540 1.00 0.00 C ATOM 1806 CD GLN A 117 9.386 -16.508 -0.482 1.00 0.00 C ATOM 1807 OE1 GLN A 117 10.370 -16.242 -1.152 1.00 0.00 O ATOM 1808 NE2 GLN A 117 8.720 -17.657 -0.562 1.00 0.00 N ATOM 0 H GLN A 117 9.289 -12.210 1.871 1.00 0.00 H new ATOM 0 HA GLN A 117 9.123 -14.903 2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 117 9.672 -13.556 0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 117 10.846 -14.822 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.487 -16.068 1.428 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.929 -15.038 0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.903 -17.815 0.028 1.00 0.00 H new ATOM 0 HE22 GLN A 117 9.026 -18.380 -1.214 1.00 0.00 H new ATOM 1817 N ASN A 118 11.206 -14.038 4.371 1.00 0.00 N ATOM 1818 CA ASN A 118 12.452 -14.123 5.114 1.00 0.00 C ATOM 1819 C ASN A 118 12.241 -14.993 6.356 1.00 0.00 C ATOM 1820 O ASN A 118 12.803 -16.082 6.458 1.00 0.00 O ATOM 1821 CB ASN A 118 12.912 -12.740 5.579 1.00 0.00 C ATOM 1822 CG ASN A 118 14.438 -12.673 5.672 1.00 0.00 C ATOM 1823 OD1 ASN A 118 15.160 -13.180 4.830 1.00 0.00 O ATOM 1824 ND2 ASN A 118 14.887 -12.021 6.741 1.00 0.00 N ATOM 0 H ASN A 118 10.395 -13.766 4.927 1.00 0.00 H new ATOM 0 HA ASN A 118 13.208 -14.552 4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 118 12.553 -11.981 4.885 1.00 0.00 H new ATOM 0 HB3 ASN A 118 12.474 -12.515 6.552 1.00 0.00 H new ATOM 0 HD21 ASN A 118 15.891 -11.922 6.894 1.00 0.00 H new ATOM 0 HD22 ASN A 118 14.228 -11.620 7.408 1.00 0.00 H new ATOM 1831 N ARG A 119 11.430 -14.478 7.269 1.00 0.00 N ATOM 1832 CA ARG A 119 11.139 -15.194 8.499 1.00 0.00 C ATOM 1833 C ARG A 119 9.626 -15.312 8.699 1.00 0.00 C ATOM 1834 O ARG A 119 8.852 -15.031 7.785 1.00 0.00 O ATOM 1835 CB ARG A 119 11.753 -14.484 9.708 1.00 0.00 C ATOM 1836 CG ARG A 119 12.201 -15.494 10.766 1.00 0.00 C ATOM 1837 CD ARG A 119 11.756 -15.058 12.163 1.00 0.00 C ATOM 1838 NE ARG A 119 11.706 -16.229 13.067 1.00 0.00 N ATOM 1839 CZ ARG A 119 11.318 -16.173 14.348 1.00 0.00 C ATOM 1840 NH1 ARG A 119 10.942 -15.004 14.885 1.00 0.00 N ATOM 1841 NH2 ARG A 119 11.304 -17.288 15.093 1.00 0.00 N ATOM 0 H ARG A 119 10.966 -13.574 7.181 1.00 0.00 H new ATOM 0 HA ARG A 119 11.577 -16.189 8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 119 12.605 -13.884 9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 119 11.025 -13.798 10.140 1.00 0.00 H new ATOM 0 HG2 ARG A 119 11.784 -16.475 10.537 1.00 0.00 H new ATOM 0 HG3 ARG A 119 13.286 -15.595 10.741 1.00 0.00 H new ATOM 0 HD2 ARG A 119 12.447 -14.313 12.558 1.00 0.00 H new ATOM 0 HD3 ARG A 119 10.775 -14.587 12.110 1.00 0.00 H new ATOM 0 HE ARG A 119 11.984 -17.135 12.691 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.951 -14.156 14.318 1.00 0.00 H new ATOM 0 HH12 ARG A 119 10.647 -14.962 15.860 1.00 0.00 H new ATOM 0 HH21 ARG A 119 11.589 -18.178 14.684 1.00 0.00 H new ATOM 0 HH22 ARG A 119 11.009 -17.246 16.068 1.00 0.00 H new ATOM 1855 N ASP A 120 9.251 -15.727 9.900 1.00 0.00 N ATOM 1856 CA ASP A 120 7.845 -15.886 10.231 1.00 0.00 C ATOM 1857 C ASP A 120 7.281 -14.542 10.696 1.00 0.00 C ATOM 1858 O ASP A 120 7.430 -14.169 11.859 1.00 0.00 O ATOM 1859 CB ASP A 120 7.656 -16.896 11.365 1.00 0.00 C ATOM 1860 CG ASP A 120 6.214 -17.353 11.591 1.00 0.00 C ATOM 1861 OD1 ASP A 120 5.320 -16.735 10.974 1.00 0.00 O ATOM 1862 OD2 ASP A 120 6.039 -18.310 12.376 1.00 0.00 O ATOM 0 H ASP A 120 9.896 -15.958 10.656 1.00 0.00 H new ATOM 0 HA ASP A 120 7.327 -16.243 9.341 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.270 -17.772 11.157 1.00 0.00 H new ATOM 0 HB3 ASP A 120 8.031 -16.456 12.289 1.00 0.00 H new ATOM 1867 N LEU A 121 6.642 -13.850 9.762 1.00 0.00 N ATOM 1868 CA LEU A 121 6.055 -12.555 10.062 1.00 0.00 C ATOM 1869 C LEU A 121 4.550 -12.722 10.283 1.00 0.00 C ATOM 1870 O LEU A 121 3.802 -11.746 10.246 1.00 0.00 O ATOM 1871 CB LEU A 121 6.408 -11.541 8.972 1.00 0.00 C ATOM 1872 CG LEU A 121 6.301 -10.067 9.366 1.00 0.00 C ATOM 1873 CD1 LEU A 121 4.869 -9.557 9.202 1.00 0.00 C ATOM 1874 CD2 LEU A 121 6.831 -9.839 10.783 1.00 0.00 C ATOM 0 H LEU A 121 6.519 -14.162 8.799 1.00 0.00 H new ATOM 0 HA LEU A 121 6.471 -12.152 10.986 1.00 0.00 H new ATOM 0 HB2 LEU A 121 7.428 -11.735 8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.756 -11.716 8.116 1.00 0.00 H new ATOM 0 HG LEU A 121 6.928 -9.487 8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 121 4.822 -8.507 9.489 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.562 -9.663 8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 121 4.201 -10.137 9.838 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.744 -8.783 11.039 1.00 0.00 H new ATOM 0 HD22 LEU A 121 6.250 -10.432 11.489 1.00 0.00 H new ATOM 0 HD23 LEU A 121 7.878 -10.139 10.833 1.00 0.00 H new ATOM 1886 N SER A 122 4.152 -13.965 10.509 1.00 0.00 N ATOM 1887 CA SER A 122 2.750 -14.272 10.736 1.00 0.00 C ATOM 1888 C SER A 122 2.373 -13.956 12.185 1.00 0.00 C ATOM 1889 O SER A 122 1.211 -13.683 12.483 1.00 0.00 O ATOM 1890 CB SER A 122 2.448 -15.737 10.417 1.00 0.00 C ATOM 1891 OG SER A 122 1.253 -15.882 9.655 1.00 0.00 O ATOM 0 H SER A 122 4.776 -14.771 10.540 1.00 0.00 H new ATOM 0 HA SER A 122 2.152 -13.652 10.068 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.284 -16.168 9.866 1.00 0.00 H new ATOM 0 HB3 SER A 122 2.356 -16.299 11.346 1.00 0.00 H new ATOM 0 HG SER A 122 1.096 -16.832 9.470 1.00 0.00 H new ATOM 1897 N GLN A 123 3.378 -14.004 13.048 1.00 0.00 N ATOM 1898 CA GLN A 123 3.166 -13.726 14.458 1.00 0.00 C ATOM 1899 C GLN A 123 2.853 -12.243 14.666 1.00 0.00 C ATOM 1900 O GLN A 123 2.467 -11.833 15.761 1.00 0.00 O ATOM 1901 CB GLN A 123 4.378 -14.152 15.289 1.00 0.00 C ATOM 1902 CG GLN A 123 4.092 -14.020 16.786 1.00 0.00 C ATOM 1903 CD GLN A 123 4.674 -12.720 17.343 1.00 0.00 C ATOM 1904 OE1 GLN A 123 5.439 -12.024 16.696 1.00 0.00 O ATOM 1905 NE2 GLN A 123 4.270 -12.432 18.578 1.00 0.00 N ATOM 0 H GLN A 123 4.340 -14.231 12.798 1.00 0.00 H new ATOM 0 HA GLN A 123 2.310 -14.309 14.798 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.639 -15.184 15.055 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.239 -13.538 15.024 1.00 0.00 H new ATOM 0 HG2 GLN A 123 3.016 -14.044 16.958 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.518 -14.871 17.318 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.628 -13.058 19.064 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.602 -11.585 19.039 1.00 0.00 H new ATOM 1914 N TYR A 124 3.031 -11.478 13.599 1.00 0.00 N ATOM 1915 CA TYR A 124 2.773 -10.049 13.651 1.00 0.00 C ATOM 1916 C TYR A 124 1.273 -9.761 13.583 1.00 0.00 C ATOM 1917 O TYR A 124 0.787 -8.824 14.217 1.00 0.00 O ATOM 1918 CB TYR A 124 3.451 -9.453 12.416 1.00 0.00 C ATOM 1919 CG TYR A 124 4.181 -8.134 12.683 1.00 0.00 C ATOM 1920 CD1 TYR A 124 5.394 -8.138 13.339 1.00 0.00 C ATOM 1921 CD2 TYR A 124 3.625 -6.942 12.265 1.00 0.00 C ATOM 1922 CE1 TYR A 124 6.081 -6.896 13.589 1.00 0.00 C ATOM 1923 CE2 TYR A 124 4.311 -5.701 12.516 1.00 0.00 C ATOM 1924 CZ TYR A 124 5.505 -5.739 13.166 1.00 0.00 C ATOM 1925 OH TYR A 124 6.153 -4.567 13.402 1.00 0.00 O ATOM 0 H TYR A 124 3.351 -11.821 12.693 1.00 0.00 H new ATOM 0 HA TYR A 124 3.151 -9.624 14.581 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.163 -10.177 12.020 1.00 0.00 H new ATOM 0 HB3 TYR A 124 2.699 -9.291 11.644 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.829 -9.071 13.665 1.00 0.00 H new ATOM 0 HD2 TYR A 124 2.676 -6.940 11.750 1.00 0.00 H new ATOM 0 HE1 TYR A 124 7.032 -6.884 14.101 1.00 0.00 H new ATOM 0 HE2 TYR A 124 3.887 -4.761 12.195 1.00 0.00 H new ATOM 0 HH TYR A 124 7.120 -4.725 13.414 1.00 0.00 H new ATOM 1935 N ILE A 125 0.579 -10.581 12.808 1.00 0.00 N ATOM 1936 CA ILE A 125 -0.857 -10.425 12.648 1.00 0.00 C ATOM 1937 C ILE A 125 -1.577 -11.293 13.681 1.00 0.00 C ATOM 1938 O ILE A 125 -2.616 -10.901 14.212 1.00 0.00 O ATOM 1939 CB ILE A 125 -1.270 -10.718 11.204 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -0.644 -12.023 10.708 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -0.938 -9.539 10.288 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -1.521 -12.681 9.640 1.00 0.00 C ATOM 0 H ILE A 125 0.985 -11.356 12.284 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.152 -9.393 12.836 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.352 -10.850 11.179 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.346 -11.823 10.298 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.510 -12.707 11.546 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.242 -9.774 9.268 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.470 -8.651 10.630 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.135 -9.350 10.312 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.053 -13.607 9.305 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.502 -12.902 10.060 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.633 -12.004 8.793 1.00 0.00 H new ATOM 1954 N ARG A 126 -0.997 -12.457 13.938 1.00 0.00 N ATOM 1955 CA ARG A 126 -1.571 -13.384 14.899 1.00 0.00 C ATOM 1956 C ARG A 126 -1.556 -12.771 16.301 1.00 0.00 C ATOM 1957 O ARG A 126 -0.513 -12.732 16.954 1.00 0.00 O ATOM 1958 CB ARG A 126 -0.800 -14.705 14.918 1.00 0.00 C ATOM 1959 CG ARG A 126 -1.474 -15.719 15.845 1.00 0.00 C ATOM 1960 CD ARG A 126 -2.686 -16.360 15.168 1.00 0.00 C ATOM 1961 NE ARG A 126 -3.182 -17.493 15.981 1.00 0.00 N ATOM 1962 CZ ARG A 126 -4.294 -18.186 15.705 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -5.034 -17.868 14.634 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -4.667 -19.199 16.499 1.00 0.00 N ATOM 0 H ARG A 126 -0.135 -12.779 13.497 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.599 -13.582 14.596 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.743 -15.112 13.908 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.223 -14.528 15.249 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -0.759 -16.492 16.125 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.786 -15.225 16.765 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.476 -15.619 15.042 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -2.414 -16.709 14.172 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.643 -17.763 16.804 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.750 -17.098 14.029 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.881 -18.396 14.424 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.104 -19.442 17.314 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -5.514 -19.727 16.289 1.00 0.00 H new ATOM 1978 N ASN A 127 -2.723 -12.309 16.723 1.00 0.00 N ATOM 1979 CA ASN A 127 -2.856 -11.700 18.037 1.00 0.00 C ATOM 1980 C ASN A 127 -4.148 -10.883 18.086 1.00 0.00 C ATOM 1981 O ASN A 127 -4.741 -10.716 19.151 1.00 0.00 O ATOM 1982 CB ASN A 127 -1.688 -10.756 18.327 1.00 0.00 C ATOM 1983 CG ASN A 127 -0.859 -11.258 19.512 1.00 0.00 C ATOM 1984 OD1 ASN A 127 -0.338 -12.361 19.515 1.00 0.00 O ATOM 1985 ND2 ASN A 127 -0.767 -10.388 20.514 1.00 0.00 N ATOM 0 H ASN A 127 -3.585 -12.344 16.179 1.00 0.00 H new ATOM 0 HA ASN A 127 -2.867 -12.498 18.780 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -1.054 -10.674 17.444 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -2.068 -9.757 18.541 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -0.235 -10.628 21.351 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -1.228 -9.481 20.446 1.00 0.00 H new ATOM 1992 N CYS A 128 -4.547 -10.395 16.920 1.00 0.00 N ATOM 1993 CA CYS A 128 -5.758 -9.599 16.817 1.00 0.00 C ATOM 1994 C CYS A 128 -6.961 -10.536 16.947 1.00 0.00 C ATOM 1995 O CYS A 128 -8.044 -10.110 17.348 1.00 0.00 O ATOM 1996 CB CYS A 128 -5.798 -8.795 15.516 1.00 0.00 C ATOM 1997 SG CYS A 128 -6.390 -7.072 15.697 1.00 0.00 S ATOM 0 H CYS A 128 -4.053 -10.536 16.039 1.00 0.00 H new ATOM 0 HA CYS A 128 -5.783 -8.864 17.621 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -4.797 -8.777 15.085 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -6.442 -9.313 14.805 1.00 0.00 H new ATOM 2002 N GLY A 129 -6.732 -11.793 16.598 1.00 0.00 N ATOM 2003 CA GLY A 129 -7.783 -12.794 16.669 1.00 0.00 C ATOM 2004 C GLY A 129 -8.346 -13.097 15.279 1.00 0.00 C ATOM 2005 O GLY A 129 -9.505 -13.488 15.148 1.00 0.00 O ATOM 0 H GLY A 129 -5.833 -12.142 16.265 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.390 -13.708 17.113 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -8.583 -12.441 17.320 1.00 0.00 H new ATOM 2009 N VAL A 130 -7.499 -12.906 14.278 1.00 0.00 N ATOM 2010 CA VAL A 130 -7.898 -13.155 12.903 1.00 0.00 C ATOM 2011 C VAL A 130 -7.585 -14.609 12.542 1.00 0.00 C ATOM 2012 O VAL A 130 -8.226 -15.185 11.664 1.00 0.00 O ATOM 2013 CB VAL A 130 -7.220 -12.148 11.972 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -5.908 -12.708 11.420 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -8.160 -11.733 10.837 1.00 0.00 C ATOM 0 H VAL A 130 -6.539 -12.582 14.392 1.00 0.00 H new ATOM 0 HA VAL A 130 -8.972 -13.015 12.784 1.00 0.00 H new ATOM 0 HB VAL A 130 -6.984 -11.258 12.555 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -5.447 -11.972 10.761 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -5.232 -12.931 12.245 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -6.109 -13.621 10.859 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -7.654 -11.017 10.189 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -8.440 -12.612 10.257 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.056 -11.274 11.256 1.00 0.00 H new