USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 477 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: C 18 SER OG : rot 108:sc= 0.69 USER MOD Set 1.2: C 25 SER OG : rot -86:sc= 0.287 USER MOD Set 2.1: C 20 THR OG1 : rot -120:sc= 0.179 USER MOD Set 2.2: C 22 THR OG1 : rot 180:sc= 0.32 USER MOD Single : C 9 THR OG1 : rot 25:sc= 0.591 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ -110:sc= -0.0193 (180deg=-0.199) USER MOD Single : C 28 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.162) USER MOD Single : C 33 GLN : amide:sc=-0.00135 K(o=-0.0014,f=-0.72) USER MOD Single : C 36 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : C 37 ASN : amide:sc= -0.89 K(o=-0.89,f=-2.9!) USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 46 HIS : no HD1:sc= -2.44 K(o=-2.4,f=-0.74) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0 USER MOD Single : C 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 160:sc= 0 USER MOD Single : C 59 ASN : amide:sc= -7.28! C(o=-7.3!,f=-8.4!) USER MOD Single : C 60 TYR OH : rot 180:sc= 0 USER MOD Single : C 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 5.431 3.309 -25.053 1.00 0.00 N ATOM 2 CA THR C 9 4.375 4.015 -24.276 1.00 0.00 C ATOM 3 C THR C 9 3.717 3.035 -23.303 1.00 0.00 C ATOM 4 O THR C 9 2.887 2.232 -23.682 1.00 0.00 O ATOM 5 CB THR C 9 3.316 4.564 -25.236 1.00 0.00 C ATOM 6 OG1 THR C 9 3.942 4.973 -26.445 1.00 0.00 O ATOM 7 CG2 THR C 9 2.614 5.761 -24.594 1.00 0.00 C ATOM 0 HA THR C 9 4.824 4.837 -23.719 1.00 0.00 H new ATOM 0 HB THR C 9 2.582 3.787 -25.450 1.00 0.00 H new ATOM 0 HG1 THR C 9 4.777 4.474 -26.566 1.00 0.00 H new ATOM 0 HG21 THR C 9 1.860 6.151 -25.278 1.00 0.00 H new ATOM 0 HG22 THR C 9 2.135 5.447 -23.667 1.00 0.00 H new ATOM 0 HG23 THR C 9 3.346 6.539 -24.379 1.00 0.00 H new ATOM 14 N PHE C 10 4.079 3.092 -22.051 1.00 0.00 N ATOM 15 CA PHE C 10 3.472 2.162 -21.059 1.00 0.00 C ATOM 16 C PHE C 10 2.117 2.713 -20.610 1.00 0.00 C ATOM 17 O PHE C 10 1.624 3.684 -21.149 1.00 0.00 O ATOM 18 CB PHE C 10 4.397 2.029 -19.848 1.00 0.00 C ATOM 19 CG PHE C 10 5.564 1.103 -20.198 1.00 0.00 C ATOM 20 CD1 PHE C 10 6.344 1.350 -21.314 1.00 0.00 C ATOM 21 CD2 PHE C 10 5.856 0.011 -19.402 1.00 0.00 C ATOM 22 CE1 PHE C 10 7.398 0.517 -21.626 1.00 0.00 C ATOM 23 CE2 PHE C 10 6.910 -0.822 -19.716 1.00 0.00 C ATOM 24 CZ PHE C 10 7.681 -0.569 -20.828 1.00 0.00 C ATOM 0 H PHE C 10 4.768 3.742 -21.673 1.00 0.00 H new ATOM 0 HA PHE C 10 3.334 1.182 -21.516 1.00 0.00 H new ATOM 0 HB2 PHE C 10 4.772 3.009 -19.554 1.00 0.00 H new ATOM 0 HB3 PHE C 10 3.845 1.630 -18.997 1.00 0.00 H new ATOM 0 HD1 PHE C 10 6.126 2.200 -21.944 1.00 0.00 H new ATOM 0 HD2 PHE C 10 5.255 -0.191 -18.528 1.00 0.00 H new ATOM 0 HE1 PHE C 10 8.003 0.717 -22.498 1.00 0.00 H new ATOM 0 HE2 PHE C 10 7.130 -1.673 -19.089 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.506 -1.221 -21.074 1.00 0.00 H new ATOM 34 N VAL C 11 1.517 2.107 -19.622 1.00 0.00 N ATOM 35 CA VAL C 11 0.195 2.600 -19.145 1.00 0.00 C ATOM 36 C VAL C 11 0.078 2.368 -17.640 1.00 0.00 C ATOM 37 O VAL C 11 0.270 1.272 -17.152 1.00 0.00 O ATOM 38 CB VAL C 11 -0.923 1.844 -19.865 1.00 0.00 C ATOM 39 CG1 VAL C 11 -2.210 2.672 -19.820 1.00 0.00 C ATOM 40 CG2 VAL C 11 -0.522 1.606 -21.322 1.00 0.00 C ATOM 0 H VAL C 11 1.884 1.295 -19.126 1.00 0.00 H new ATOM 0 HA VAL C 11 0.108 3.666 -19.357 1.00 0.00 H new ATOM 0 HB VAL C 11 -1.089 0.886 -19.372 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -3.007 2.134 -20.333 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.497 2.843 -18.782 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -2.044 3.630 -20.313 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -1.319 1.067 -21.835 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -0.356 2.564 -21.815 1.00 0.00 H new ATOM 0 HG23 VAL C 11 0.395 1.017 -21.356 1.00 0.00 H new ATOM 50 N ALA C 12 -0.238 3.393 -16.899 1.00 0.00 N ATOM 51 CA ALA C 12 -0.367 3.235 -15.425 1.00 0.00 C ATOM 52 C ALA C 12 -1.658 2.483 -15.097 1.00 0.00 C ATOM 53 O ALA C 12 -2.735 3.045 -15.110 1.00 0.00 O ATOM 54 CB ALA C 12 -0.404 4.615 -14.769 1.00 0.00 C ATOM 0 H ALA C 12 -0.413 4.334 -17.252 1.00 0.00 H new ATOM 0 HA ALA C 12 0.485 2.671 -15.047 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.499 4.502 -13.689 1.00 0.00 H new ATOM 0 HB2 ALA C 12 0.516 5.152 -14.999 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.256 5.177 -15.151 1.00 0.00 H new ATOM 60 N LEU C 13 -1.559 1.214 -14.805 1.00 0.00 N ATOM 61 CA LEU C 13 -2.781 0.430 -14.477 1.00 0.00 C ATOM 62 C LEU C 13 -3.370 0.940 -13.162 1.00 0.00 C ATOM 63 O LEU C 13 -4.568 1.091 -13.023 1.00 0.00 O ATOM 64 CB LEU C 13 -2.418 -1.048 -14.325 1.00 0.00 C ATOM 65 CG LEU C 13 -1.646 -1.518 -15.559 1.00 0.00 C ATOM 66 CD1 LEU C 13 -0.950 -2.844 -15.246 1.00 0.00 C ATOM 67 CD2 LEU C 13 -2.618 -1.715 -16.723 1.00 0.00 C ATOM 0 H LEU C 13 -0.685 0.688 -14.780 1.00 0.00 H new ATOM 0 HA LEU C 13 -3.511 0.545 -15.279 1.00 0.00 H new ATOM 0 HB2 LEU C 13 -1.815 -1.194 -13.429 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -3.322 -1.644 -14.201 1.00 0.00 H new ATOM 0 HG LEU C 13 -0.901 -0.770 -15.831 1.00 0.00 H new ATOM 0 HD11 LEU C 13 -0.399 -3.182 -16.124 1.00 0.00 H new ATOM 0 HD12 LEU C 13 -0.259 -2.705 -14.415 1.00 0.00 H new ATOM 0 HD13 LEU C 13 -1.696 -3.592 -14.976 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -2.069 -2.050 -17.603 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -3.362 -2.464 -16.453 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -3.117 -0.771 -16.944 1.00 0.00 H new ATOM 79 N TYR C 14 -2.535 1.207 -12.195 1.00 0.00 N ATOM 80 CA TYR C 14 -3.046 1.706 -10.887 1.00 0.00 C ATOM 81 C TYR C 14 -2.636 3.169 -10.706 1.00 0.00 C ATOM 82 O TYR C 14 -1.503 3.539 -10.939 1.00 0.00 O ATOM 83 CB TYR C 14 -2.457 0.864 -9.750 1.00 0.00 C ATOM 84 CG TYR C 14 -2.263 -0.580 -10.223 1.00 0.00 C ATOM 85 CD1 TYR C 14 -3.134 -1.145 -11.135 1.00 0.00 C ATOM 86 CD2 TYR C 14 -1.207 -1.332 -9.755 1.00 0.00 C ATOM 87 CE1 TYR C 14 -2.948 -2.439 -11.572 1.00 0.00 C ATOM 88 CE2 TYR C 14 -1.021 -2.630 -10.192 1.00 0.00 C ATOM 89 CZ TYR C 14 -1.891 -3.193 -11.103 1.00 0.00 C ATOM 90 OH TYR C 14 -1.706 -4.488 -11.539 1.00 0.00 O ATOM 0 H TYR C 14 -1.522 1.101 -12.254 1.00 0.00 H new ATOM 0 HA TYR C 14 -4.133 1.627 -10.868 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -1.503 1.283 -9.431 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -3.121 0.888 -8.886 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -3.967 -0.568 -11.508 1.00 0.00 H new ATOM 0 HD2 TYR C 14 -0.519 -0.904 -9.041 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -3.635 -2.867 -12.287 1.00 0.00 H new ATOM 0 HE2 TYR C 14 -0.189 -3.208 -9.818 1.00 0.00 H new ATOM 0 HH TYR C 14 -0.913 -4.869 -11.107 1.00 0.00 H new ATOM 100 N ASP C 15 -3.549 4.004 -10.293 1.00 0.00 N ATOM 101 CA ASP C 15 -3.212 5.443 -10.099 1.00 0.00 C ATOM 102 C ASP C 15 -2.017 5.564 -9.150 1.00 0.00 C ATOM 103 O ASP C 15 -2.003 4.993 -8.078 1.00 0.00 O ATOM 104 CB ASP C 15 -4.416 6.172 -9.499 1.00 0.00 C ATOM 105 CG ASP C 15 -5.680 5.789 -10.272 1.00 0.00 C ATOM 106 OD1 ASP C 15 -5.549 5.164 -11.311 1.00 0.00 O ATOM 107 OD2 ASP C 15 -6.757 6.130 -9.811 1.00 0.00 O ATOM 0 H ASP C 15 -4.514 3.752 -10.081 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.959 5.890 -11.060 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -4.527 5.910 -8.447 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -4.262 7.250 -9.544 1.00 0.00 H new ATOM 112 N TYR C 16 -1.015 6.306 -9.535 1.00 0.00 N ATOM 113 CA TYR C 16 0.178 6.466 -8.657 1.00 0.00 C ATOM 114 C TYR C 16 0.182 7.869 -8.049 1.00 0.00 C ATOM 115 O TYR C 16 0.337 8.855 -8.742 1.00 0.00 O ATOM 116 CB TYR C 16 1.450 6.272 -9.485 1.00 0.00 C ATOM 117 CG TYR C 16 2.677 6.451 -8.588 1.00 0.00 C ATOM 118 CD1 TYR C 16 2.800 5.734 -7.415 1.00 0.00 C ATOM 119 CD2 TYR C 16 3.679 7.333 -8.939 1.00 0.00 C ATOM 120 CE1 TYR C 16 3.906 5.895 -6.606 1.00 0.00 C ATOM 121 CE2 TYR C 16 4.785 7.495 -8.130 1.00 0.00 C ATOM 122 CZ TYR C 16 4.907 6.778 -6.958 1.00 0.00 C ATOM 123 OH TYR C 16 6.014 6.940 -6.149 1.00 0.00 O ATOM 0 H TYR C 16 -0.971 6.809 -10.421 1.00 0.00 H new ATOM 0 HA TYR C 16 0.142 5.723 -7.860 1.00 0.00 H new ATOM 0 HB2 TYR C 16 1.456 5.279 -9.934 1.00 0.00 H new ATOM 0 HB3 TYR C 16 1.477 6.991 -10.303 1.00 0.00 H new ATOM 0 HD1 TYR C 16 2.023 5.041 -7.128 1.00 0.00 H new ATOM 0 HD2 TYR C 16 3.597 7.901 -9.854 1.00 0.00 H new ATOM 0 HE1 TYR C 16 3.989 5.327 -5.691 1.00 0.00 H new ATOM 0 HE2 TYR C 16 5.561 8.189 -8.417 1.00 0.00 H new ATOM 0 HH TYR C 16 6.618 7.599 -6.550 1.00 0.00 H new ATOM 133 N GLU C 17 0.011 7.967 -6.759 1.00 0.00 N ATOM 134 CA GLU C 17 0.005 9.306 -6.107 1.00 0.00 C ATOM 135 C GLU C 17 1.426 9.660 -5.663 1.00 0.00 C ATOM 136 O GLU C 17 1.776 9.526 -4.507 1.00 0.00 O ATOM 137 CB GLU C 17 -0.919 9.277 -4.889 1.00 0.00 C ATOM 138 CG GLU C 17 -2.006 10.342 -5.046 1.00 0.00 C ATOM 139 CD GLU C 17 -3.376 9.720 -4.769 1.00 0.00 C ATOM 140 OE1 GLU C 17 -3.527 9.110 -3.724 1.00 0.00 O ATOM 141 OE2 GLU C 17 -4.249 9.863 -5.609 1.00 0.00 O ATOM 0 H GLU C 17 -0.125 7.177 -6.128 1.00 0.00 H new ATOM 0 HA GLU C 17 -0.353 10.054 -6.814 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -1.373 8.291 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -0.346 9.459 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU C 17 -1.824 11.167 -4.357 1.00 0.00 H new ATOM 0 HG3 GLU C 17 -1.980 10.757 -6.054 1.00 0.00 H new ATOM 148 N SER C 18 2.247 10.110 -6.573 1.00 0.00 N ATOM 149 CA SER C 18 3.647 10.473 -6.209 1.00 0.00 C ATOM 150 C SER C 18 3.651 11.235 -4.882 1.00 0.00 C ATOM 151 O SER C 18 2.891 12.162 -4.683 1.00 0.00 O ATOM 152 CB SER C 18 4.245 11.356 -7.305 1.00 0.00 C ATOM 153 OG SER C 18 4.020 12.722 -6.990 1.00 0.00 O ATOM 0 H SER C 18 2.008 10.242 -7.556 1.00 0.00 H new ATOM 0 HA SER C 18 4.242 9.565 -6.107 1.00 0.00 H new ATOM 0 HB2 SER C 18 5.314 11.165 -7.398 1.00 0.00 H new ATOM 0 HB3 SER C 18 3.794 11.115 -8.267 1.00 0.00 H new ATOM 0 HG SER C 18 4.864 13.138 -6.718 1.00 0.00 H new ATOM 159 N ARG C 19 4.504 10.850 -3.971 1.00 0.00 N ATOM 160 CA ARG C 19 4.560 11.550 -2.657 1.00 0.00 C ATOM 161 C ARG C 19 5.708 12.563 -2.667 1.00 0.00 C ATOM 162 O ARG C 19 6.387 12.756 -1.677 1.00 0.00 O ATOM 163 CB ARG C 19 4.791 10.525 -1.545 1.00 0.00 C ATOM 164 CG ARG C 19 3.597 10.532 -0.588 1.00 0.00 C ATOM 165 CD ARG C 19 2.814 9.226 -0.738 1.00 0.00 C ATOM 166 NE ARG C 19 2.544 8.650 0.611 1.00 0.00 N ATOM 167 CZ ARG C 19 1.614 7.745 0.764 1.00 0.00 C ATOM 168 NH1 ARG C 19 0.916 7.339 -0.262 1.00 0.00 N ATOM 169 NH2 ARG C 19 1.383 7.243 1.947 1.00 0.00 N ATOM 0 H ARG C 19 5.164 10.080 -4.081 1.00 0.00 H new ATOM 0 HA ARG C 19 3.619 12.071 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG C 19 4.921 9.531 -1.973 1.00 0.00 H new ATOM 0 HB3 ARG C 19 5.707 10.761 -1.003 1.00 0.00 H new ATOM 0 HG2 ARG C 19 3.942 10.645 0.440 1.00 0.00 H new ATOM 0 HG3 ARG C 19 2.950 11.383 -0.803 1.00 0.00 H new ATOM 0 HD2 ARG C 19 1.876 9.410 -1.261 1.00 0.00 H new ATOM 0 HD3 ARG C 19 3.381 8.517 -1.341 1.00 0.00 H new ATOM 0 HE ARG C 19 3.087 8.963 1.416 1.00 0.00 H new ATOM 0 HH11 ARG C 19 1.096 7.728 -1.187 1.00 0.00 H new ATOM 0 HH12 ARG C 19 0.191 6.632 -0.138 1.00 0.00 H new ATOM 0 HH21 ARG C 19 1.928 7.557 2.750 1.00 0.00 H new ATOM 0 HH22 ARG C 19 0.657 6.536 2.068 1.00 0.00 H new ATOM 183 N THR C 20 5.929 13.212 -3.778 1.00 0.00 N ATOM 184 CA THR C 20 7.033 14.211 -3.851 1.00 0.00 C ATOM 185 C THR C 20 7.012 14.893 -5.221 1.00 0.00 C ATOM 186 O THR C 20 6.239 14.539 -6.089 1.00 0.00 O ATOM 187 CB THR C 20 8.376 13.502 -3.654 1.00 0.00 C ATOM 188 OG1 THR C 20 9.421 14.464 -3.643 1.00 0.00 O ATOM 189 CG2 THR C 20 8.603 12.511 -4.797 1.00 0.00 C ATOM 0 H THR C 20 5.393 13.094 -4.638 1.00 0.00 H new ATOM 0 HA THR C 20 6.899 14.959 -3.070 1.00 0.00 H new ATOM 0 HB THR C 20 8.368 12.964 -2.706 1.00 0.00 H new ATOM 0 HG1 THR C 20 10.048 14.274 -4.372 1.00 0.00 H new ATOM 0 HG21 THR C 20 9.559 12.006 -4.657 1.00 0.00 H new ATOM 0 HG22 THR C 20 7.801 11.773 -4.804 1.00 0.00 H new ATOM 0 HG23 THR C 20 8.611 13.046 -5.746 1.00 0.00 H new ATOM 197 N GLU C 21 7.855 15.868 -5.423 1.00 0.00 N ATOM 198 CA GLU C 21 7.881 16.570 -6.737 1.00 0.00 C ATOM 199 C GLU C 21 8.820 15.831 -7.695 1.00 0.00 C ATOM 200 O GLU C 21 9.047 16.260 -8.809 1.00 0.00 O ATOM 201 CB GLU C 21 8.379 18.003 -6.542 1.00 0.00 C ATOM 202 CG GLU C 21 7.363 18.982 -7.134 1.00 0.00 C ATOM 203 CD GLU C 21 7.011 20.045 -6.091 1.00 0.00 C ATOM 204 OE1 GLU C 21 7.731 21.027 -6.010 1.00 0.00 O ATOM 205 OE2 GLU C 21 6.029 19.860 -5.392 1.00 0.00 O ATOM 0 H GLU C 21 8.527 16.209 -4.735 1.00 0.00 H new ATOM 0 HA GLU C 21 6.875 16.588 -7.156 1.00 0.00 H new ATOM 0 HB2 GLU C 21 8.522 18.208 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU C 21 9.348 18.131 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU C 21 7.774 19.455 -8.026 1.00 0.00 H new ATOM 0 HG3 GLU C 21 6.464 18.448 -7.442 1.00 0.00 H new ATOM 212 N THR C 22 9.367 14.724 -7.272 1.00 0.00 N ATOM 213 CA THR C 22 10.290 13.963 -8.160 1.00 0.00 C ATOM 214 C THR C 22 9.477 13.049 -9.081 1.00 0.00 C ATOM 215 O THR C 22 9.317 13.321 -10.253 1.00 0.00 O ATOM 216 CB THR C 22 11.236 13.118 -7.304 1.00 0.00 C ATOM 217 OG1 THR C 22 11.199 13.581 -5.961 1.00 0.00 O ATOM 218 CG2 THR C 22 12.661 13.236 -7.846 1.00 0.00 C ATOM 0 H THR C 22 9.215 14.314 -6.350 1.00 0.00 H new ATOM 0 HA THR C 22 10.871 14.660 -8.765 1.00 0.00 H new ATOM 0 HB THR C 22 10.922 12.075 -7.338 1.00 0.00 H new ATOM 0 HG1 THR C 22 11.803 13.039 -5.411 1.00 0.00 H new ATOM 0 HG21 THR C 22 13.334 12.634 -7.235 1.00 0.00 H new ATOM 0 HG22 THR C 22 12.689 12.880 -8.876 1.00 0.00 H new ATOM 0 HG23 THR C 22 12.977 14.279 -7.814 1.00 0.00 H new ATOM 226 N ASP C 23 8.962 11.969 -8.559 1.00 0.00 N ATOM 227 CA ASP C 23 8.161 11.043 -9.409 1.00 0.00 C ATOM 228 C ASP C 23 6.885 11.750 -9.869 1.00 0.00 C ATOM 229 O ASP C 23 6.318 12.554 -9.156 1.00 0.00 O ATOM 230 CB ASP C 23 7.790 9.798 -8.600 1.00 0.00 C ATOM 231 CG ASP C 23 9.061 9.150 -8.049 1.00 0.00 C ATOM 232 OD1 ASP C 23 9.730 9.786 -7.252 1.00 0.00 O ATOM 233 OD2 ASP C 23 9.344 8.027 -8.434 1.00 0.00 O ATOM 0 H ASP C 23 9.061 11.688 -7.583 1.00 0.00 H new ATOM 0 HA ASP C 23 8.749 10.749 -10.279 1.00 0.00 H new ATOM 0 HB2 ASP C 23 7.123 10.069 -7.782 1.00 0.00 H new ATOM 0 HB3 ASP C 23 7.251 9.090 -9.229 1.00 0.00 H new ATOM 238 N LEU C 24 6.429 11.458 -11.057 1.00 0.00 N ATOM 239 CA LEU C 24 5.189 12.116 -11.560 1.00 0.00 C ATOM 240 C LEU C 24 3.970 11.280 -11.168 1.00 0.00 C ATOM 241 O LEU C 24 3.981 10.068 -11.252 1.00 0.00 O ATOM 242 CB LEU C 24 5.257 12.232 -13.084 1.00 0.00 C ATOM 243 CG LEU C 24 5.893 13.569 -13.467 1.00 0.00 C ATOM 244 CD1 LEU C 24 6.021 13.656 -14.988 1.00 0.00 C ATOM 245 CD2 LEU C 24 5.011 14.715 -12.963 1.00 0.00 C ATOM 0 H LEU C 24 6.860 10.794 -11.700 1.00 0.00 H new ATOM 0 HA LEU C 24 5.103 13.110 -11.121 1.00 0.00 H new ATOM 0 HB2 LEU C 24 5.840 11.409 -13.496 1.00 0.00 H new ATOM 0 HB3 LEU C 24 4.256 12.158 -13.510 1.00 0.00 H new ATOM 0 HG LEU C 24 6.882 13.644 -13.015 1.00 0.00 H new ATOM 0 HD11 LEU C 24 6.474 14.609 -15.261 1.00 0.00 H new ATOM 0 HD12 LEU C 24 6.648 12.840 -15.348 1.00 0.00 H new ATOM 0 HD13 LEU C 24 5.032 13.581 -15.441 1.00 0.00 H new ATOM 0 HD21 LEU C 24 5.463 15.669 -13.235 1.00 0.00 H new ATOM 0 HD22 LEU C 24 4.022 14.640 -13.416 1.00 0.00 H new ATOM 0 HD23 LEU C 24 4.919 14.653 -11.879 1.00 0.00 H new ATOM 257 N SER C 25 2.917 11.919 -10.736 1.00 0.00 N ATOM 258 CA SER C 25 1.697 11.162 -10.338 1.00 0.00 C ATOM 259 C SER C 25 0.802 10.964 -11.563 1.00 0.00 C ATOM 260 O SER C 25 0.635 11.856 -12.371 1.00 0.00 O ATOM 261 CB SER C 25 0.934 11.952 -9.273 1.00 0.00 C ATOM 262 OG SER C 25 1.707 13.074 -8.874 1.00 0.00 O ATOM 0 H SER C 25 2.849 12.932 -10.642 1.00 0.00 H new ATOM 0 HA SER C 25 1.984 10.191 -9.935 1.00 0.00 H new ATOM 0 HB2 SER C 25 -0.027 12.281 -9.668 1.00 0.00 H new ATOM 0 HB3 SER C 25 0.725 11.316 -8.413 1.00 0.00 H new ATOM 0 HG SER C 25 2.331 12.807 -8.167 1.00 0.00 H new ATOM 268 N PHE C 26 0.223 9.804 -11.709 1.00 0.00 N ATOM 269 CA PHE C 26 -0.658 9.558 -12.884 1.00 0.00 C ATOM 270 C PHE C 26 -1.905 8.793 -12.440 1.00 0.00 C ATOM 271 O PHE C 26 -2.022 8.383 -11.302 1.00 0.00 O ATOM 272 CB PHE C 26 0.097 8.739 -13.933 1.00 0.00 C ATOM 273 CG PHE C 26 0.936 7.662 -13.246 1.00 0.00 C ATOM 274 CD1 PHE C 26 0.344 6.487 -12.833 1.00 0.00 C ATOM 275 CD2 PHE C 26 2.293 7.841 -13.044 1.00 0.00 C ATOM 276 CE1 PHE C 26 1.094 5.499 -12.227 1.00 0.00 C ATOM 277 CE2 PHE C 26 3.044 6.853 -12.439 1.00 0.00 C ATOM 278 CZ PHE C 26 2.445 5.683 -12.031 1.00 0.00 C ATOM 0 H PHE C 26 0.322 9.018 -11.067 1.00 0.00 H new ATOM 0 HA PHE C 26 -0.954 10.514 -13.317 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -0.609 8.277 -14.624 1.00 0.00 H new ATOM 0 HB3 PHE C 26 0.740 9.392 -14.523 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -0.715 6.338 -12.985 1.00 0.00 H new ATOM 0 HD2 PHE C 26 2.767 8.758 -13.361 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.622 4.582 -11.907 1.00 0.00 H new ATOM 0 HE2 PHE C 26 4.103 6.998 -12.286 1.00 0.00 H new ATOM 0 HZ PHE C 26 3.033 4.911 -11.558 1.00 0.00 H new ATOM 288 N LYS C 27 -2.841 8.600 -13.330 1.00 0.00 N ATOM 289 CA LYS C 27 -4.079 7.863 -12.965 1.00 0.00 C ATOM 290 C LYS C 27 -4.140 6.548 -13.744 1.00 0.00 C ATOM 291 O LYS C 27 -3.193 6.159 -14.400 1.00 0.00 O ATOM 292 CB LYS C 27 -5.295 8.718 -13.324 1.00 0.00 C ATOM 293 CG LYS C 27 -4.992 9.536 -14.581 1.00 0.00 C ATOM 294 CD LYS C 27 -6.299 9.850 -15.311 1.00 0.00 C ATOM 295 CE LYS C 27 -6.963 11.067 -14.664 1.00 0.00 C ATOM 296 NZ LYS C 27 -7.947 10.612 -13.641 1.00 0.00 N ATOM 0 H LYS C 27 -2.799 8.923 -14.297 1.00 0.00 H new ATOM 0 HA LYS C 27 -4.077 7.652 -11.896 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -6.163 8.081 -13.492 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -5.543 9.382 -12.496 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -4.482 10.461 -14.312 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -4.321 8.981 -15.236 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -6.102 10.047 -16.365 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -6.968 8.991 -15.267 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -6.208 11.703 -14.201 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -7.463 11.668 -15.423 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -8.912 10.807 -13.977 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -7.835 9.590 -13.482 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -7.781 11.121 -12.749 1.00 0.00 H new ATOM 310 N LYS C 28 -5.247 5.862 -13.679 1.00 0.00 N ATOM 311 CA LYS C 28 -5.370 4.572 -14.415 1.00 0.00 C ATOM 312 C LYS C 28 -5.721 4.854 -15.877 1.00 0.00 C ATOM 313 O LYS C 28 -6.708 5.498 -16.176 1.00 0.00 O ATOM 314 CB LYS C 28 -6.475 3.725 -13.781 1.00 0.00 C ATOM 315 CG LYS C 28 -6.668 2.443 -14.594 1.00 0.00 C ATOM 316 CD LYS C 28 -8.019 2.493 -15.310 1.00 0.00 C ATOM 317 CE LYS C 28 -9.144 2.292 -14.292 1.00 0.00 C ATOM 318 NZ LYS C 28 -9.225 0.851 -13.918 1.00 0.00 N ATOM 0 H LYS C 28 -6.073 6.139 -13.148 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.424 4.032 -14.363 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -6.214 3.479 -12.752 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -7.406 4.290 -13.747 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -5.863 2.336 -15.321 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -6.624 1.573 -13.938 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -8.139 3.451 -15.816 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -8.065 1.719 -16.076 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -8.959 2.899 -13.406 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -10.093 2.623 -14.713 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -10.135 0.664 -13.451 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -9.148 0.265 -14.774 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -8.448 0.617 -13.267 1.00 0.00 H new ATOM 332 N GLY C 29 -4.922 4.378 -16.793 1.00 0.00 N ATOM 333 CA GLY C 29 -5.211 4.621 -18.234 1.00 0.00 C ATOM 334 C GLY C 29 -4.334 5.765 -18.751 1.00 0.00 C ATOM 335 O GLY C 29 -4.425 6.160 -19.896 1.00 0.00 O ATOM 0 H GLY C 29 -4.082 3.831 -16.605 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -5.021 3.716 -18.810 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.264 4.869 -18.367 1.00 0.00 H new ATOM 339 N GLU C 30 -3.485 6.299 -17.916 1.00 0.00 N ATOM 340 CA GLU C 30 -2.605 7.416 -18.362 1.00 0.00 C ATOM 341 C GLU C 30 -1.375 6.846 -19.070 1.00 0.00 C ATOM 342 O GLU C 30 -0.554 6.181 -18.470 1.00 0.00 O ATOM 343 CB GLU C 30 -2.161 8.232 -17.146 1.00 0.00 C ATOM 344 CG GLU C 30 -1.504 9.531 -17.617 1.00 0.00 C ATOM 345 CD GLU C 30 -2.590 10.546 -17.983 1.00 0.00 C ATOM 346 OE1 GLU C 30 -3.029 11.260 -17.096 1.00 0.00 O ATOM 347 OE2 GLU C 30 -2.962 10.593 -19.144 1.00 0.00 O ATOM 0 H GLU C 30 -3.363 6.010 -16.945 1.00 0.00 H new ATOM 0 HA GLU C 30 -3.155 8.058 -19.050 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -3.019 8.455 -16.511 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -1.460 7.655 -16.543 1.00 0.00 H new ATOM 0 HG2 GLU C 30 -0.864 9.934 -16.832 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -0.866 9.337 -18.479 1.00 0.00 H new ATOM 354 N ARG C 31 -1.242 7.098 -20.344 1.00 0.00 N ATOM 355 CA ARG C 31 -0.064 6.571 -21.089 1.00 0.00 C ATOM 356 C ARG C 31 1.161 7.434 -20.781 1.00 0.00 C ATOM 357 O ARG C 31 1.076 8.643 -20.704 1.00 0.00 O ATOM 358 CB ARG C 31 -0.352 6.611 -22.591 1.00 0.00 C ATOM 359 CG ARG C 31 -0.830 5.234 -23.056 1.00 0.00 C ATOM 360 CD ARG C 31 -1.895 5.403 -24.142 1.00 0.00 C ATOM 361 NE ARG C 31 -1.460 4.695 -25.378 1.00 0.00 N ATOM 362 CZ ARG C 31 -1.326 3.396 -25.377 1.00 0.00 C ATOM 363 NH1 ARG C 31 -1.578 2.710 -24.295 1.00 0.00 N ATOM 364 NH2 ARG C 31 -0.943 2.781 -26.463 1.00 0.00 N ATOM 0 H ARG C 31 -1.898 7.646 -20.901 1.00 0.00 H new ATOM 0 HA ARG C 31 0.130 5.543 -20.783 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -1.111 7.363 -22.807 1.00 0.00 H new ATOM 0 HB3 ARG C 31 0.546 6.899 -23.137 1.00 0.00 H new ATOM 0 HG2 ARG C 31 0.010 4.657 -23.442 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.239 4.676 -22.214 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -2.848 5.003 -23.797 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -2.051 6.461 -24.352 1.00 0.00 H new ATOM 0 HE ARG C 31 -1.266 5.226 -26.227 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -1.881 3.189 -23.447 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -1.472 1.696 -24.298 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -0.749 3.315 -27.310 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -0.838 1.766 -26.464 1.00 0.00 H new ATOM 378 N LEU C 32 2.300 6.822 -20.602 1.00 0.00 N ATOM 379 CA LEU C 32 3.527 7.613 -20.298 1.00 0.00 C ATOM 380 C LEU C 32 4.664 7.164 -21.218 1.00 0.00 C ATOM 381 O LEU C 32 4.709 6.032 -21.657 1.00 0.00 O ATOM 382 CB LEU C 32 3.931 7.389 -18.839 1.00 0.00 C ATOM 383 CG LEU C 32 2.683 7.424 -17.954 1.00 0.00 C ATOM 384 CD1 LEU C 32 2.455 6.040 -17.341 1.00 0.00 C ATOM 385 CD2 LEU C 32 2.879 8.451 -16.837 1.00 0.00 C ATOM 0 H LEU C 32 2.434 5.812 -20.653 1.00 0.00 H new ATOM 0 HA LEU C 32 3.326 8.672 -20.460 1.00 0.00 H new ATOM 0 HB2 LEU C 32 4.438 6.430 -18.734 1.00 0.00 H new ATOM 0 HB3 LEU C 32 4.636 8.158 -18.523 1.00 0.00 H new ATOM 0 HG LEU C 32 1.818 7.703 -18.555 1.00 0.00 H new ATOM 0 HD11 LEU C 32 1.566 6.063 -16.710 1.00 0.00 H new ATOM 0 HD12 LEU C 32 2.316 5.308 -18.137 1.00 0.00 H new ATOM 0 HD13 LEU C 32 3.320 5.762 -16.739 1.00 0.00 H new ATOM 0 HD21 LEU C 32 1.990 8.477 -16.206 1.00 0.00 H new ATOM 0 HD22 LEU C 32 3.744 8.173 -16.235 1.00 0.00 H new ATOM 0 HD23 LEU C 32 3.043 9.436 -17.273 1.00 0.00 H new ATOM 397 N GLN C 33 5.586 8.042 -21.512 1.00 0.00 N ATOM 398 CA GLN C 33 6.718 7.661 -22.402 1.00 0.00 C ATOM 399 C GLN C 33 7.858 7.089 -21.558 1.00 0.00 C ATOM 400 O GLN C 33 8.811 7.770 -21.238 1.00 0.00 O ATOM 401 CB GLN C 33 7.212 8.898 -23.156 1.00 0.00 C ATOM 402 CG GLN C 33 6.919 8.734 -24.649 1.00 0.00 C ATOM 403 CD GLN C 33 7.941 9.532 -25.460 1.00 0.00 C ATOM 404 OE1 GLN C 33 8.430 10.549 -25.011 1.00 0.00 O ATOM 405 NE2 GLN C 33 8.285 9.112 -26.647 1.00 0.00 N ATOM 0 H GLN C 33 5.603 9.004 -21.174 1.00 0.00 H new ATOM 0 HA GLN C 33 6.382 6.910 -23.117 1.00 0.00 H new ATOM 0 HB2 GLN C 33 6.719 9.792 -22.773 1.00 0.00 H new ATOM 0 HB3 GLN C 33 8.282 9.031 -22.997 1.00 0.00 H new ATOM 0 HG2 GLN C 33 6.962 7.681 -24.925 1.00 0.00 H new ATOM 0 HG3 GLN C 33 5.910 9.081 -24.873 1.00 0.00 H new ATOM 0 HE21 GLN C 33 7.875 8.258 -27.025 1.00 0.00 H new ATOM 0 HE22 GLN C 33 8.964 9.638 -27.197 1.00 0.00 H new ATOM 414 N ILE C 34 7.767 5.838 -21.195 1.00 0.00 N ATOM 415 CA ILE C 34 8.843 5.219 -20.372 1.00 0.00 C ATOM 416 C ILE C 34 10.205 5.511 -21.006 1.00 0.00 C ATOM 417 O ILE C 34 10.330 5.629 -22.208 1.00 0.00 O ATOM 418 CB ILE C 34 8.621 3.706 -20.301 1.00 0.00 C ATOM 419 CG1 ILE C 34 7.436 3.408 -19.382 1.00 0.00 C ATOM 420 CG2 ILE C 34 9.877 3.030 -19.743 1.00 0.00 C ATOM 421 CD1 ILE C 34 7.686 4.035 -18.009 1.00 0.00 C ATOM 0 H ILE C 34 6.993 5.218 -21.434 1.00 0.00 H new ATOM 0 HA ILE C 34 8.818 5.637 -19.365 1.00 0.00 H new ATOM 0 HB ILE C 34 8.414 3.323 -21.300 1.00 0.00 H new ATOM 0 HG12 ILE C 34 6.518 3.806 -19.814 1.00 0.00 H new ATOM 0 HG13 ILE C 34 7.301 2.331 -19.283 1.00 0.00 H new ATOM 0 HG21 ILE C 34 9.719 1.953 -19.693 1.00 0.00 H new ATOM 0 HG22 ILE C 34 10.724 3.242 -20.395 1.00 0.00 H new ATOM 0 HG23 ILE C 34 10.083 3.414 -18.744 1.00 0.00 H new ATOM 0 HD11 ILE C 34 6.842 3.823 -17.353 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.595 3.616 -17.578 1.00 0.00 H new ATOM 0 HD13 ILE C 34 7.800 5.114 -18.117 1.00 0.00 H new ATOM 433 N VAL C 35 11.227 5.626 -20.202 1.00 0.00 N ATOM 434 CA VAL C 35 12.582 5.910 -20.754 1.00 0.00 C ATOM 435 C VAL C 35 13.544 4.797 -20.338 1.00 0.00 C ATOM 436 O VAL C 35 14.326 4.309 -21.130 1.00 0.00 O ATOM 437 CB VAL C 35 13.087 7.247 -20.207 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.476 7.539 -20.778 1.00 0.00 C ATOM 439 CG2 VAL C 35 12.121 8.362 -20.615 1.00 0.00 C ATOM 0 H VAL C 35 11.182 5.536 -19.187 1.00 0.00 H new ATOM 0 HA VAL C 35 12.527 5.959 -21.842 1.00 0.00 H new ATOM 0 HB VAL C 35 13.145 7.197 -19.120 1.00 0.00 H new ATOM 0 HG11 VAL C 35 14.837 8.491 -20.389 1.00 0.00 H new ATOM 0 HG12 VAL C 35 15.163 6.745 -20.487 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.419 7.590 -21.865 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.480 9.315 -20.226 1.00 0.00 H new ATOM 0 HG22 VAL C 35 12.063 8.413 -21.702 1.00 0.00 H new ATOM 0 HG23 VAL C 35 11.132 8.153 -20.208 1.00 0.00 H new ATOM 449 N ASN C 36 13.491 4.392 -19.102 1.00 0.00 N ATOM 450 CA ASN C 36 14.399 3.310 -18.629 1.00 0.00 C ATOM 451 C ASN C 36 13.587 2.039 -18.378 1.00 0.00 C ATOM 452 O ASN C 36 12.429 2.093 -18.012 1.00 0.00 O ATOM 453 CB ASN C 36 15.081 3.747 -17.331 1.00 0.00 C ATOM 454 CG ASN C 36 16.543 3.295 -17.346 1.00 0.00 C ATOM 455 OD1 ASN C 36 16.826 2.114 -17.323 1.00 0.00 O ATOM 456 ND2 ASN C 36 17.489 4.192 -17.384 1.00 0.00 N ATOM 0 H ASN C 36 12.856 4.764 -18.396 1.00 0.00 H new ATOM 0 HA ASN C 36 15.157 3.113 -19.387 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.025 4.830 -17.225 1.00 0.00 H new ATOM 0 HB3 ASN C 36 14.565 3.316 -16.473 1.00 0.00 H new ATOM 0 HD21 ASN C 36 18.467 3.902 -17.394 1.00 0.00 H new ATOM 0 HD22 ASN C 36 17.251 5.184 -17.403 1.00 0.00 H new ATOM 463 N ASN C 37 14.183 0.894 -18.572 1.00 0.00 N ATOM 464 CA ASN C 37 13.440 -0.377 -18.342 1.00 0.00 C ATOM 465 C ASN C 37 14.398 -1.562 -18.480 1.00 0.00 C ATOM 466 O ASN C 37 14.835 -1.895 -19.564 1.00 0.00 O ATOM 467 CB ASN C 37 12.320 -0.506 -19.376 1.00 0.00 C ATOM 468 CG ASN C 37 12.885 -0.245 -20.773 1.00 0.00 C ATOM 469 OD1 ASN C 37 13.139 0.885 -21.138 1.00 0.00 O ATOM 470 ND2 ASN C 37 13.097 -1.253 -21.576 1.00 0.00 N ATOM 0 H ASN C 37 15.149 0.784 -18.879 1.00 0.00 H new ATOM 0 HA ASN C 37 13.012 -0.371 -17.339 1.00 0.00 H new ATOM 0 HB2 ASN C 37 11.881 -1.502 -19.330 1.00 0.00 H new ATOM 0 HB3 ASN C 37 11.523 0.204 -19.156 1.00 0.00 H new ATOM 0 HD21 ASN C 37 13.476 -1.091 -22.509 1.00 0.00 H new ATOM 0 HD22 ASN C 37 12.884 -2.202 -21.270 1.00 0.00 H new ATOM 477 N THR C 38 14.728 -2.201 -17.393 1.00 0.00 N ATOM 478 CA THR C 38 15.657 -3.363 -17.467 1.00 0.00 C ATOM 479 C THR C 38 15.221 -4.420 -16.446 1.00 0.00 C ATOM 480 O THR C 38 14.910 -5.543 -16.791 1.00 0.00 O ATOM 481 CB THR C 38 17.100 -2.874 -17.201 1.00 0.00 C ATOM 482 OG1 THR C 38 17.896 -3.140 -18.348 1.00 0.00 O ATOM 483 CG2 THR C 38 17.724 -3.575 -15.986 1.00 0.00 C ATOM 0 H THR C 38 14.395 -1.969 -16.457 1.00 0.00 H new ATOM 0 HA THR C 38 15.629 -3.817 -18.458 1.00 0.00 H new ATOM 0 HB THR C 38 17.063 -1.805 -16.992 1.00 0.00 H new ATOM 0 HG1 THR C 38 18.812 -2.832 -18.189 1.00 0.00 H new ATOM 0 HG21 THR C 38 18.737 -3.204 -15.833 1.00 0.00 H new ATOM 0 HG22 THR C 38 17.124 -3.369 -15.099 1.00 0.00 H new ATOM 0 HG23 THR C 38 17.754 -4.650 -16.162 1.00 0.00 H new ATOM 491 N GLU C 39 15.195 -4.065 -15.194 1.00 0.00 N ATOM 492 CA GLU C 39 14.781 -5.041 -14.149 1.00 0.00 C ATOM 493 C GLU C 39 14.343 -4.285 -12.894 1.00 0.00 C ATOM 494 O GLU C 39 13.397 -4.660 -12.229 1.00 0.00 O ATOM 495 CB GLU C 39 15.962 -5.951 -13.812 1.00 0.00 C ATOM 496 CG GLU C 39 15.584 -7.405 -14.103 1.00 0.00 C ATOM 497 CD GLU C 39 15.147 -8.087 -12.805 1.00 0.00 C ATOM 498 OE1 GLU C 39 15.753 -7.812 -11.783 1.00 0.00 O ATOM 499 OE2 GLU C 39 14.216 -8.872 -12.857 1.00 0.00 O ATOM 0 H GLU C 39 15.443 -3.138 -14.847 1.00 0.00 H new ATOM 0 HA GLU C 39 13.951 -5.644 -14.517 1.00 0.00 H new ATOM 0 HB2 GLU C 39 16.834 -5.666 -14.400 1.00 0.00 H new ATOM 0 HB3 GLU C 39 16.234 -5.838 -12.763 1.00 0.00 H new ATOM 0 HG2 GLU C 39 14.778 -7.443 -14.836 1.00 0.00 H new ATOM 0 HG3 GLU C 39 16.433 -7.933 -14.536 1.00 0.00 H new ATOM 506 N GLY C 40 15.026 -3.225 -12.565 1.00 0.00 N ATOM 507 CA GLY C 40 14.653 -2.442 -11.354 1.00 0.00 C ATOM 508 C GLY C 40 13.138 -2.223 -11.335 1.00 0.00 C ATOM 509 O GLY C 40 12.460 -2.425 -12.321 1.00 0.00 O ATOM 0 H GLY C 40 15.828 -2.866 -13.083 1.00 0.00 H new ATOM 0 HA2 GLY C 40 14.966 -2.972 -10.454 1.00 0.00 H new ATOM 0 HA3 GLY C 40 15.170 -1.482 -11.355 1.00 0.00 H new ATOM 513 N ASP C 41 12.604 -1.810 -10.218 1.00 0.00 N ATOM 514 CA ASP C 41 11.134 -1.579 -10.138 1.00 0.00 C ATOM 515 C ASP C 41 10.848 -0.078 -10.213 1.00 0.00 C ATOM 516 O ASP C 41 9.864 0.404 -9.688 1.00 0.00 O ATOM 517 CB ASP C 41 10.601 -2.134 -8.817 1.00 0.00 C ATOM 518 CG ASP C 41 10.753 -3.656 -8.805 1.00 0.00 C ATOM 519 OD1 ASP C 41 10.037 -4.309 -9.547 1.00 0.00 O ATOM 520 OD2 ASP C 41 11.581 -4.144 -8.054 1.00 0.00 O ATOM 0 H ASP C 41 13.121 -1.623 -9.359 1.00 0.00 H new ATOM 0 HA ASP C 41 10.642 -2.084 -10.969 1.00 0.00 H new ATOM 0 HB2 ASP C 41 11.146 -1.697 -7.980 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.553 -1.861 -8.692 1.00 0.00 H new ATOM 525 N TRP C 42 11.702 0.667 -10.861 1.00 0.00 N ATOM 526 CA TRP C 42 11.481 2.135 -10.970 1.00 0.00 C ATOM 527 C TRP C 42 12.092 2.644 -12.276 1.00 0.00 C ATOM 528 O TRP C 42 13.271 2.482 -12.524 1.00 0.00 O ATOM 529 CB TRP C 42 12.145 2.843 -9.788 1.00 0.00 C ATOM 530 CG TRP C 42 11.365 2.540 -8.508 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.701 1.602 -7.604 1.00 0.00 C ATOM 532 CD2 TRP C 42 10.256 3.167 -8.122 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.745 1.705 -6.678 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.806 2.654 -6.921 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.564 4.189 -8.739 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.664 3.165 -6.338 1.00 0.00 C ATOM 537 CZ3 TRP C 42 8.422 4.699 -8.156 1.00 0.00 C ATOM 538 CH2 TRP C 42 7.972 4.187 -6.956 1.00 0.00 C ATOM 0 H TRP C 42 12.544 0.320 -11.320 1.00 0.00 H new ATOM 0 HA TRP C 42 10.411 2.342 -10.961 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.178 2.510 -9.685 1.00 0.00 H new ATOM 0 HB3 TRP C 42 12.173 3.918 -9.964 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.544 0.927 -7.623 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.722 1.113 -5.848 1.00 0.00 H new ATOM 0 HE3 TRP C 42 9.916 4.590 -9.678 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 8.312 2.765 -5.398 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 7.880 5.499 -8.639 1.00 0.00 H new ATOM 0 HH2 TRP C 42 7.078 4.586 -6.500 1.00 0.00 H new ATOM 549 N TRP C 43 11.304 3.259 -13.114 1.00 0.00 N ATOM 550 CA TRP C 43 11.851 3.774 -14.401 1.00 0.00 C ATOM 551 C TRP C 43 11.529 5.263 -14.531 1.00 0.00 C ATOM 552 O TRP C 43 10.770 5.815 -13.758 1.00 0.00 O ATOM 553 CB TRP C 43 11.216 3.014 -15.568 1.00 0.00 C ATOM 554 CG TRP C 43 11.571 1.529 -15.466 1.00 0.00 C ATOM 555 CD1 TRP C 43 12.786 1.043 -15.161 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.719 0.528 -15.669 1.00 0.00 C ATOM 557 NE1 TRP C 43 12.612 -0.281 -15.195 1.00 0.00 N ATOM 558 CE2 TRP C 43 11.354 -0.688 -15.502 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.381 0.571 -16.001 1.00 0.00 C ATOM 560 CZ2 TRP C 43 10.647 -1.861 -15.667 1.00 0.00 C ATOM 561 CZ3 TRP C 43 8.674 -0.604 -16.166 1.00 0.00 C ATOM 562 CH2 TRP C 43 9.307 -1.819 -16.000 1.00 0.00 C ATOM 0 H TRP C 43 10.309 3.427 -12.965 1.00 0.00 H new ATOM 0 HA TRP C 43 12.931 3.631 -14.419 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.134 3.142 -15.553 1.00 0.00 H new ATOM 0 HB3 TRP C 43 11.571 3.419 -16.516 1.00 0.00 H new ATOM 0 HD1 TRP C 43 13.689 1.593 -14.941 1.00 0.00 H new ATOM 0 HE1 TRP C 43 13.369 -0.938 -15.004 1.00 0.00 H new ATOM 0 HE3 TRP C 43 8.887 1.522 -16.132 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 11.141 -2.812 -15.536 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 7.626 -0.572 -16.425 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.754 -2.738 -16.131 1.00 0.00 H new ATOM 573 N LEU C 44 12.100 5.918 -15.502 1.00 0.00 N ATOM 574 CA LEU C 44 11.827 7.371 -15.682 1.00 0.00 C ATOM 575 C LEU C 44 10.973 7.570 -16.934 1.00 0.00 C ATOM 576 O LEU C 44 11.365 7.216 -18.026 1.00 0.00 O ATOM 577 CB LEU C 44 13.147 8.127 -15.829 1.00 0.00 C ATOM 578 CG LEU C 44 12.866 9.584 -16.197 1.00 0.00 C ATOM 579 CD1 LEU C 44 13.131 10.483 -14.991 1.00 0.00 C ATOM 580 CD2 LEU C 44 13.788 9.997 -17.342 1.00 0.00 C ATOM 0 H LEU C 44 12.744 5.510 -16.179 1.00 0.00 H new ATOM 0 HA LEU C 44 11.293 7.755 -14.813 1.00 0.00 H new ATOM 0 HB2 LEU C 44 13.711 8.079 -14.897 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.762 7.659 -16.598 1.00 0.00 H new ATOM 0 HG LEU C 44 11.824 9.686 -16.501 1.00 0.00 H new ATOM 0 HD11 LEU C 44 12.929 11.520 -15.259 1.00 0.00 H new ATOM 0 HD12 LEU C 44 12.481 10.188 -14.167 1.00 0.00 H new ATOM 0 HD13 LEU C 44 14.172 10.383 -14.685 1.00 0.00 H new ATOM 0 HD21 LEU C 44 13.593 11.035 -17.610 1.00 0.00 H new ATOM 0 HD22 LEU C 44 14.827 9.892 -17.029 1.00 0.00 H new ATOM 0 HD23 LEU C 44 13.603 9.359 -18.206 1.00 0.00 H new ATOM 592 N ALA C 45 9.807 8.133 -16.784 1.00 0.00 N ATOM 593 CA ALA C 45 8.934 8.351 -17.968 1.00 0.00 C ATOM 594 C ALA C 45 8.675 9.847 -18.152 1.00 0.00 C ATOM 595 O ALA C 45 8.757 10.623 -17.219 1.00 0.00 O ATOM 596 CB ALA C 45 7.602 7.628 -17.759 1.00 0.00 C ATOM 0 H ALA C 45 9.422 8.451 -15.894 1.00 0.00 H new ATOM 0 HA ALA C 45 9.429 7.959 -18.856 1.00 0.00 H new ATOM 0 HB1 ALA C 45 6.962 7.787 -18.626 1.00 0.00 H new ATOM 0 HB2 ALA C 45 7.783 6.561 -17.633 1.00 0.00 H new ATOM 0 HB3 ALA C 45 7.111 8.020 -16.868 1.00 0.00 H new ATOM 602 N HIS C 46 8.370 10.256 -19.352 1.00 0.00 N ATOM 603 CA HIS C 46 8.105 11.699 -19.606 1.00 0.00 C ATOM 604 C HIS C 46 6.687 11.861 -20.158 1.00 0.00 C ATOM 605 O HIS C 46 6.269 11.138 -21.042 1.00 0.00 O ATOM 606 CB HIS C 46 9.116 12.232 -20.624 1.00 0.00 C ATOM 607 CG HIS C 46 8.669 13.612 -21.111 1.00 0.00 C ATOM 608 ND1 HIS C 46 8.667 14.667 -20.409 1.00 0.00 N ATOM 609 CD2 HIS C 46 8.198 14.005 -22.350 1.00 0.00 C ATOM 610 CE1 HIS C 46 8.243 15.663 -21.093 1.00 0.00 C ATOM 611 NE2 HIS C 46 7.927 15.320 -22.332 1.00 0.00 N ATOM 0 H HIS C 46 8.293 9.651 -20.170 1.00 0.00 H new ATOM 0 HA HIS C 46 8.201 12.259 -18.676 1.00 0.00 H new ATOM 0 HB2 HIS C 46 10.105 12.297 -20.171 1.00 0.00 H new ATOM 0 HB3 HIS C 46 9.196 11.545 -21.467 1.00 0.00 H new ATOM 0 HD2 HIS C 46 8.068 13.354 -23.202 1.00 0.00 H new ATOM 0 HE1 HIS C 46 8.154 16.667 -20.704 1.00 0.00 H new ATOM 0 HE2 HIS C 46 7.568 15.907 -23.084 1.00 0.00 H new ATOM 619 N SER C 47 5.944 12.803 -19.646 1.00 0.00 N ATOM 620 CA SER C 47 4.554 13.008 -20.144 1.00 0.00 C ATOM 621 C SER C 47 4.558 14.069 -21.246 1.00 0.00 C ATOM 622 O SER C 47 4.784 15.236 -20.997 1.00 0.00 O ATOM 623 CB SER C 47 3.664 13.474 -18.990 1.00 0.00 C ATOM 624 OG SER C 47 2.957 12.364 -18.459 1.00 0.00 O ATOM 0 H SER C 47 6.238 13.439 -18.905 1.00 0.00 H new ATOM 0 HA SER C 47 4.169 12.070 -20.545 1.00 0.00 H new ATOM 0 HB2 SER C 47 4.271 13.937 -18.213 1.00 0.00 H new ATOM 0 HB3 SER C 47 2.963 14.231 -19.340 1.00 0.00 H new ATOM 0 HG SER C 47 2.388 12.662 -17.719 1.00 0.00 H new ATOM 630 N LEU C 48 4.309 13.672 -22.464 1.00 0.00 N ATOM 631 CA LEU C 48 4.298 14.657 -23.582 1.00 0.00 C ATOM 632 C LEU C 48 3.187 15.681 -23.344 1.00 0.00 C ATOM 633 O LEU C 48 3.322 16.845 -23.667 1.00 0.00 O ATOM 634 CB LEU C 48 4.045 13.929 -24.903 1.00 0.00 C ATOM 635 CG LEU C 48 5.122 12.862 -25.114 1.00 0.00 C ATOM 636 CD1 LEU C 48 4.770 12.018 -26.340 1.00 0.00 C ATOM 637 CD2 LEU C 48 6.476 13.540 -25.335 1.00 0.00 C ATOM 0 H LEU C 48 4.113 12.708 -22.733 1.00 0.00 H new ATOM 0 HA LEU C 48 5.261 15.166 -23.628 1.00 0.00 H new ATOM 0 HB2 LEU C 48 3.058 13.467 -24.892 1.00 0.00 H new ATOM 0 HB3 LEU C 48 4.055 14.639 -25.730 1.00 0.00 H new ATOM 0 HG LEU C 48 5.175 12.221 -24.234 1.00 0.00 H new ATOM 0 HD11 LEU C 48 5.537 11.258 -26.491 1.00 0.00 H new ATOM 0 HD12 LEU C 48 3.806 11.535 -26.184 1.00 0.00 H new ATOM 0 HD13 LEU C 48 4.717 12.659 -27.220 1.00 0.00 H new ATOM 0 HD21 LEU C 48 7.243 12.780 -25.485 1.00 0.00 H new ATOM 0 HD22 LEU C 48 6.423 14.181 -26.215 1.00 0.00 H new ATOM 0 HD23 LEU C 48 6.728 14.142 -24.462 1.00 0.00 H new ATOM 649 N THR C 49 2.089 15.258 -22.782 1.00 0.00 N ATOM 650 CA THR C 49 0.968 16.206 -22.524 1.00 0.00 C ATOM 651 C THR C 49 1.447 17.318 -21.587 1.00 0.00 C ATOM 652 O THR C 49 1.419 18.483 -21.929 1.00 0.00 O ATOM 653 CB THR C 49 -0.195 15.455 -21.873 1.00 0.00 C ATOM 654 OG1 THR C 49 -0.265 14.140 -22.406 1.00 0.00 O ATOM 655 CG2 THR C 49 -1.504 16.193 -22.155 1.00 0.00 C ATOM 0 H THR C 49 1.919 14.296 -22.490 1.00 0.00 H new ATOM 0 HA THR C 49 0.636 16.642 -23.466 1.00 0.00 H new ATOM 0 HB THR C 49 -0.036 15.403 -20.796 1.00 0.00 H new ATOM 0 HG1 THR C 49 -1.009 13.657 -21.989 1.00 0.00 H new ATOM 0 HG21 THR C 49 -2.331 15.657 -21.691 1.00 0.00 H new ATOM 0 HG22 THR C 49 -1.449 17.201 -21.744 1.00 0.00 H new ATOM 0 HG23 THR C 49 -1.666 16.248 -23.231 1.00 0.00 H new ATOM 663 N THR C 50 1.885 16.966 -20.409 1.00 0.00 N ATOM 664 CA THR C 50 2.364 18.004 -19.454 1.00 0.00 C ATOM 665 C THR C 50 3.725 18.532 -19.914 1.00 0.00 C ATOM 666 O THR C 50 3.855 19.672 -20.316 1.00 0.00 O ATOM 667 CB THR C 50 2.501 17.388 -18.059 1.00 0.00 C ATOM 668 OG1 THR C 50 1.219 17.001 -17.587 1.00 0.00 O ATOM 669 CG2 THR C 50 3.110 18.415 -17.103 1.00 0.00 C ATOM 0 H THR C 50 1.932 16.006 -20.067 1.00 0.00 H new ATOM 0 HA THR C 50 1.648 18.825 -19.421 1.00 0.00 H new ATOM 0 HB THR C 50 3.150 16.513 -18.110 1.00 0.00 H new ATOM 0 HG1 THR C 50 1.305 16.605 -16.695 1.00 0.00 H new ATOM 0 HG21 THR C 50 3.207 17.975 -16.110 1.00 0.00 H new ATOM 0 HG22 THR C 50 4.094 18.712 -17.466 1.00 0.00 H new ATOM 0 HG23 THR C 50 2.464 19.291 -17.050 1.00 0.00 H new ATOM 677 N GLY C 51 4.739 17.713 -19.860 1.00 0.00 N ATOM 678 CA GLY C 51 6.089 18.169 -20.295 1.00 0.00 C ATOM 679 C GLY C 51 7.042 18.157 -19.099 1.00 0.00 C ATOM 680 O GLY C 51 7.911 18.998 -18.976 1.00 0.00 O ATOM 0 H GLY C 51 4.691 16.748 -19.533 1.00 0.00 H new ATOM 0 HA2 GLY C 51 6.468 17.517 -21.082 1.00 0.00 H new ATOM 0 HA3 GLY C 51 6.028 19.173 -20.714 1.00 0.00 H new ATOM 684 N GLN C 52 6.888 17.210 -18.215 1.00 0.00 N ATOM 685 CA GLN C 52 7.786 17.145 -17.028 1.00 0.00 C ATOM 686 C GLN C 52 8.253 15.703 -16.817 1.00 0.00 C ATOM 687 O GLN C 52 7.517 14.763 -17.042 1.00 0.00 O ATOM 688 CB GLN C 52 7.027 17.621 -15.786 1.00 0.00 C ATOM 689 CG GLN C 52 7.242 19.125 -15.603 1.00 0.00 C ATOM 690 CD GLN C 52 5.913 19.789 -15.239 1.00 0.00 C ATOM 691 OE1 GLN C 52 5.440 20.656 -15.948 1.00 0.00 O ATOM 692 NE2 GLN C 52 5.288 19.419 -14.155 1.00 0.00 N ATOM 0 H GLN C 52 6.179 16.478 -18.263 1.00 0.00 H new ATOM 0 HA GLN C 52 8.652 17.786 -17.194 1.00 0.00 H new ATOM 0 HB2 GLN C 52 5.964 17.405 -15.891 1.00 0.00 H new ATOM 0 HB3 GLN C 52 7.376 17.083 -14.905 1.00 0.00 H new ATOM 0 HG2 GLN C 52 7.978 19.305 -14.819 1.00 0.00 H new ATOM 0 HG3 GLN C 52 7.640 19.561 -16.520 1.00 0.00 H new ATOM 0 HE21 GLN C 52 5.685 18.692 -13.560 1.00 0.00 H new ATOM 0 HE22 GLN C 52 4.402 19.857 -13.902 1.00 0.00 H new ATOM 701 N THR C 53 9.473 15.521 -16.388 1.00 0.00 N ATOM 702 CA THR C 53 9.987 14.141 -16.162 1.00 0.00 C ATOM 703 C THR C 53 9.486 13.634 -14.804 1.00 0.00 C ATOM 704 O THR C 53 9.192 14.407 -13.914 1.00 0.00 O ATOM 705 CB THR C 53 11.531 14.164 -16.222 1.00 0.00 C ATOM 706 OG1 THR C 53 11.968 13.311 -17.270 1.00 0.00 O ATOM 707 CG2 THR C 53 12.155 13.696 -14.899 1.00 0.00 C ATOM 0 H THR C 53 10.136 16.269 -16.184 1.00 0.00 H new ATOM 0 HA THR C 53 9.623 13.463 -16.934 1.00 0.00 H new ATOM 0 HB THR C 53 11.849 15.191 -16.403 1.00 0.00 H new ATOM 0 HG1 THR C 53 12.947 13.323 -17.314 1.00 0.00 H new ATOM 0 HG21 THR C 53 13.242 13.725 -14.979 1.00 0.00 H new ATOM 0 HG22 THR C 53 11.832 14.354 -14.092 1.00 0.00 H new ATOM 0 HG23 THR C 53 11.834 12.676 -14.686 1.00 0.00 H new ATOM 715 N GLY C 54 9.387 12.342 -14.638 1.00 0.00 N ATOM 716 CA GLY C 54 8.906 11.801 -13.336 1.00 0.00 C ATOM 717 C GLY C 54 9.115 10.286 -13.292 1.00 0.00 C ATOM 718 O GLY C 54 8.567 9.549 -14.089 1.00 0.00 O ATOM 0 H GLY C 54 9.617 11.642 -15.344 1.00 0.00 H new ATOM 0 HA2 GLY C 54 9.443 12.275 -12.515 1.00 0.00 H new ATOM 0 HA3 GLY C 54 7.850 12.035 -13.203 1.00 0.00 H new ATOM 722 N TYR C 55 9.911 9.815 -12.370 1.00 0.00 N ATOM 723 CA TYR C 55 10.155 8.354 -12.273 1.00 0.00 C ATOM 724 C TYR C 55 8.841 7.649 -11.932 1.00 0.00 C ATOM 725 O TYR C 55 8.319 7.782 -10.844 1.00 0.00 O ATOM 726 CB TYR C 55 11.179 8.083 -11.171 1.00 0.00 C ATOM 727 CG TYR C 55 12.386 9.011 -11.338 1.00 0.00 C ATOM 728 CD1 TYR C 55 13.264 8.845 -12.393 1.00 0.00 C ATOM 729 CD2 TYR C 55 12.626 10.014 -10.423 1.00 0.00 C ATOM 730 CE1 TYR C 55 14.366 9.668 -12.522 1.00 0.00 C ATOM 731 CE2 TYR C 55 13.725 10.838 -10.554 1.00 0.00 C ATOM 732 CZ TYR C 55 14.603 10.671 -11.605 1.00 0.00 C ATOM 733 OH TYR C 55 15.703 11.495 -11.737 1.00 0.00 O ATOM 0 H TYR C 55 10.402 10.383 -11.680 1.00 0.00 H new ATOM 0 HA TYR C 55 10.537 7.980 -13.223 1.00 0.00 H new ATOM 0 HB2 TYR C 55 10.723 8.238 -10.193 1.00 0.00 H new ATOM 0 HB3 TYR C 55 11.502 7.043 -11.211 1.00 0.00 H new ATOM 0 HD1 TYR C 55 13.087 8.067 -13.121 1.00 0.00 H new ATOM 0 HD2 TYR C 55 11.947 10.156 -9.595 1.00 0.00 H new ATOM 0 HE1 TYR C 55 15.048 9.525 -13.347 1.00 0.00 H new ATOM 0 HE2 TYR C 55 13.899 11.619 -9.829 1.00 0.00 H new ATOM 0 HH TYR C 55 15.714 12.146 -11.004 1.00 0.00 H new ATOM 743 N ILE C 56 8.300 6.900 -12.853 1.00 0.00 N ATOM 744 CA ILE C 56 7.020 6.191 -12.576 1.00 0.00 C ATOM 745 C ILE C 56 7.314 4.756 -12.116 1.00 0.00 C ATOM 746 O ILE C 56 8.127 4.074 -12.713 1.00 0.00 O ATOM 747 CB ILE C 56 6.175 6.152 -13.850 1.00 0.00 C ATOM 748 CG1 ILE C 56 6.931 5.393 -14.942 1.00 0.00 C ATOM 749 CG2 ILE C 56 5.899 7.582 -14.321 1.00 0.00 C ATOM 750 CD1 ILE C 56 6.147 4.136 -15.324 1.00 0.00 C ATOM 0 H ILE C 56 8.689 6.749 -13.784 1.00 0.00 H new ATOM 0 HA ILE C 56 6.477 6.719 -11.792 1.00 0.00 H new ATOM 0 HB ILE C 56 5.231 5.647 -13.645 1.00 0.00 H new ATOM 0 HG12 ILE C 56 7.066 6.030 -15.816 1.00 0.00 H new ATOM 0 HG13 ILE C 56 7.926 5.121 -14.589 1.00 0.00 H new ATOM 0 HG21 ILE C 56 5.297 7.556 -15.229 1.00 0.00 H new ATOM 0 HG22 ILE C 56 5.360 8.124 -13.544 1.00 0.00 H new ATOM 0 HG23 ILE C 56 6.843 8.086 -14.526 1.00 0.00 H new ATOM 0 HD11 ILE C 56 6.685 3.594 -16.102 1.00 0.00 H new ATOM 0 HD12 ILE C 56 6.035 3.497 -14.448 1.00 0.00 H new ATOM 0 HD13 ILE C 56 5.162 4.420 -15.694 1.00 0.00 H new ATOM 762 N PRO C 57 6.652 4.339 -11.062 1.00 0.00 N ATOM 763 CA PRO C 57 6.833 2.985 -10.512 1.00 0.00 C ATOM 764 C PRO C 57 6.333 1.944 -11.517 1.00 0.00 C ATOM 765 O PRO C 57 5.343 2.145 -12.191 1.00 0.00 O ATOM 766 CB PRO C 57 5.973 2.958 -9.241 1.00 0.00 C ATOM 767 CG PRO C 57 5.247 4.324 -9.135 1.00 0.00 C ATOM 768 CD PRO C 57 5.694 5.185 -10.327 1.00 0.00 C ATOM 0 HA PRO C 57 7.878 2.755 -10.303 1.00 0.00 H new ATOM 0 HB2 PRO C 57 5.250 2.143 -9.285 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.594 2.786 -8.362 1.00 0.00 H new ATOM 0 HG2 PRO C 57 4.166 4.185 -9.148 1.00 0.00 H new ATOM 0 HG3 PRO C 57 5.494 4.816 -8.194 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.847 5.462 -10.955 1.00 0.00 H new ATOM 0 HD3 PRO C 57 6.160 6.112 -9.993 1.00 0.00 H new ATOM 776 N SER C 58 7.009 0.834 -11.624 1.00 0.00 N ATOM 777 CA SER C 58 6.573 -0.213 -12.583 1.00 0.00 C ATOM 778 C SER C 58 5.385 -0.986 -12.001 1.00 0.00 C ATOM 779 O SER C 58 4.622 -1.600 -12.719 1.00 0.00 O ATOM 780 CB SER C 58 7.735 -1.174 -12.830 1.00 0.00 C ATOM 781 OG SER C 58 8.125 -1.771 -11.601 1.00 0.00 O ATOM 0 H SER C 58 7.846 0.609 -11.086 1.00 0.00 H new ATOM 0 HA SER C 58 6.270 0.252 -13.521 1.00 0.00 H new ATOM 0 HB2 SER C 58 7.439 -1.944 -13.543 1.00 0.00 H new ATOM 0 HB3 SER C 58 8.576 -0.639 -13.270 1.00 0.00 H new ATOM 0 HG SER C 58 8.624 -2.595 -11.781 1.00 0.00 H new ATOM 787 N ASN C 59 5.221 -0.959 -10.707 1.00 0.00 N ATOM 788 CA ASN C 59 4.082 -1.693 -10.083 1.00 0.00 C ATOM 789 C ASN C 59 2.750 -1.073 -10.514 1.00 0.00 C ATOM 790 O ASN C 59 1.748 -1.753 -10.621 1.00 0.00 O ATOM 791 CB ASN C 59 4.199 -1.611 -8.562 1.00 0.00 C ATOM 792 CG ASN C 59 4.633 -2.969 -8.007 1.00 0.00 C ATOM 793 OD1 ASN C 59 5.154 -3.794 -8.730 1.00 0.00 O ATOM 794 ND2 ASN C 59 4.437 -3.236 -6.745 1.00 0.00 N ATOM 0 H ASN C 59 5.826 -0.461 -10.054 1.00 0.00 H new ATOM 0 HA ASN C 59 4.115 -2.733 -10.407 1.00 0.00 H new ATOM 0 HB2 ASN C 59 4.923 -0.845 -8.284 1.00 0.00 H new ATOM 0 HB3 ASN C 59 3.243 -1.319 -8.129 1.00 0.00 H new ATOM 0 HD21 ASN C 59 4.722 -4.139 -6.365 1.00 0.00 H new ATOM 0 HD22 ASN C 59 3.999 -2.542 -6.139 1.00 0.00 H new ATOM 801 N TYR C 60 2.723 0.207 -10.764 1.00 0.00 N ATOM 802 CA TYR C 60 1.447 0.853 -11.185 1.00 0.00 C ATOM 803 C TYR C 60 1.408 1.024 -12.707 1.00 0.00 C ATOM 804 O TYR C 60 0.485 1.597 -13.247 1.00 0.00 O ATOM 805 CB TYR C 60 1.328 2.224 -10.513 1.00 0.00 C ATOM 806 CG TYR C 60 0.977 2.048 -9.029 1.00 0.00 C ATOM 807 CD1 TYR C 60 0.978 0.795 -8.446 1.00 0.00 C ATOM 808 CD2 TYR C 60 0.656 3.142 -8.253 1.00 0.00 C ATOM 809 CE1 TYR C 60 0.663 0.641 -7.111 1.00 0.00 C ATOM 810 CE2 TYR C 60 0.341 2.989 -6.918 1.00 0.00 C ATOM 811 CZ TYR C 60 0.341 1.737 -6.337 1.00 0.00 C ATOM 812 OH TYR C 60 0.025 1.583 -5.003 1.00 0.00 O ATOM 0 H TYR C 60 3.526 0.832 -10.695 1.00 0.00 H new ATOM 0 HA TYR C 60 0.614 0.218 -10.884 1.00 0.00 H new ATOM 0 HB2 TYR C 60 2.266 2.770 -10.612 1.00 0.00 H new ATOM 0 HB3 TYR C 60 0.560 2.817 -11.010 1.00 0.00 H new ATOM 0 HD1 TYR C 60 1.228 -0.072 -9.040 1.00 0.00 H new ATOM 0 HD2 TYR C 60 0.651 4.128 -8.694 1.00 0.00 H new ATOM 0 HE1 TYR C 60 0.669 -0.344 -6.669 1.00 0.00 H new ATOM 0 HE2 TYR C 60 0.093 3.856 -6.323 1.00 0.00 H new ATOM 0 HH TYR C 60 -0.174 2.459 -4.611 1.00 0.00 H new ATOM 822 N VAL C 61 2.395 0.531 -13.404 1.00 0.00 N ATOM 823 CA VAL C 61 2.395 0.676 -14.888 1.00 0.00 C ATOM 824 C VAL C 61 2.594 -0.694 -15.538 1.00 0.00 C ATOM 825 O VAL C 61 2.464 -1.722 -14.905 1.00 0.00 O ATOM 826 CB VAL C 61 3.518 1.641 -15.309 1.00 0.00 C ATOM 827 CG1 VAL C 61 4.837 0.884 -15.499 1.00 0.00 C ATOM 828 CG2 VAL C 61 3.135 2.341 -16.616 1.00 0.00 C ATOM 0 H VAL C 61 3.197 0.037 -13.013 1.00 0.00 H new ATOM 0 HA VAL C 61 1.439 1.083 -15.218 1.00 0.00 H new ATOM 0 HB VAL C 61 3.651 2.383 -14.522 1.00 0.00 H new ATOM 0 HG11 VAL C 61 5.618 1.583 -15.796 1.00 0.00 H new ATOM 0 HG12 VAL C 61 5.118 0.402 -14.562 1.00 0.00 H new ATOM 0 HG13 VAL C 61 4.714 0.127 -16.273 1.00 0.00 H new ATOM 0 HG21 VAL C 61 3.932 3.023 -16.911 1.00 0.00 H new ATOM 0 HG22 VAL C 61 2.987 1.596 -17.398 1.00 0.00 H new ATOM 0 HG23 VAL C 61 2.212 2.903 -16.471 1.00 0.00 H new ATOM 838 N ALA C 62 2.908 -0.707 -16.799 1.00 0.00 N ATOM 839 CA ALA C 62 3.118 -2.001 -17.507 1.00 0.00 C ATOM 840 C ALA C 62 3.308 -1.736 -19.004 1.00 0.00 C ATOM 841 O ALA C 62 2.738 -0.807 -19.543 1.00 0.00 O ATOM 842 CB ALA C 62 1.897 -2.901 -17.299 1.00 0.00 C ATOM 0 H ALA C 62 3.030 0.126 -17.375 1.00 0.00 H new ATOM 0 HA ALA C 62 4.004 -2.495 -17.109 1.00 0.00 H new ATOM 0 HB1 ALA C 62 2.050 -3.848 -17.817 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.760 -3.088 -16.234 1.00 0.00 H new ATOM 0 HB3 ALA C 62 1.010 -2.409 -17.698 1.00 0.00 H new ATOM 848 N PRO C 63 4.108 -2.562 -19.632 1.00 0.00 N ATOM 849 CA PRO C 63 4.392 -2.439 -21.071 1.00 0.00 C ATOM 850 C PRO C 63 3.103 -2.600 -21.884 1.00 0.00 C ATOM 851 O PRO C 63 2.257 -3.413 -21.570 1.00 0.00 O ATOM 852 CB PRO C 63 5.369 -3.582 -21.379 1.00 0.00 C ATOM 853 CG PRO C 63 5.623 -4.354 -20.058 1.00 0.00 C ATOM 854 CD PRO C 63 4.792 -3.680 -18.955 1.00 0.00 C ATOM 0 HA PRO C 63 4.807 -1.465 -21.328 1.00 0.00 H new ATOM 0 HB2 PRO C 63 4.954 -4.247 -22.137 1.00 0.00 H new ATOM 0 HB3 PRO C 63 6.304 -3.189 -21.778 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.338 -5.401 -20.166 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.683 -4.337 -19.803 1.00 0.00 H new ATOM 0 HD2 PRO C 63 4.076 -4.376 -18.518 1.00 0.00 H new ATOM 0 HD3 PRO C 63 5.426 -3.323 -18.143 1.00 0.00 H new ATOM 862 N SER C 64 2.949 -1.830 -22.926 1.00 0.00 N ATOM 863 CA SER C 64 1.717 -1.938 -23.757 1.00 0.00 C ATOM 864 C SER C 64 1.901 -1.141 -25.049 1.00 0.00 C ATOM 865 O SER C 64 2.023 0.070 -24.961 1.00 0.00 O ATOM 866 CB SER C 64 0.525 -1.378 -22.977 1.00 0.00 C ATOM 867 OG SER C 64 -0.602 -1.288 -23.836 1.00 0.00 O ATOM 868 OXT SER C 64 1.917 -1.753 -26.104 1.00 0.00 O ATOM 0 H SER C 64 3.623 -1.131 -23.238 1.00 0.00 H new ATOM 0 HA SER C 64 1.533 -2.985 -24.000 1.00 0.00 H new ATOM 0 HB2 SER C 64 0.298 -2.022 -22.127 1.00 0.00 H new ATOM 0 HB3 SER C 64 0.769 -0.395 -22.575 1.00 0.00 H new ATOM 0 HG SER C 64 -1.366 -0.931 -23.337 1.00 0.00 H new ATOM 875 N ARG R 71 13.897 2.656 -2.070 1.00 0.00 N ATOM 876 CA ARG R 71 12.644 3.171 -2.691 1.00 0.00 C ATOM 877 C ARG R 71 11.434 2.557 -1.985 1.00 0.00 C ATOM 878 O ARG R 71 10.557 3.256 -1.518 1.00 0.00 O ATOM 879 CB ARG R 71 12.618 2.790 -4.172 1.00 0.00 C ATOM 880 CG ARG R 71 11.711 3.756 -4.936 1.00 0.00 C ATOM 881 CD ARG R 71 12.170 5.195 -4.686 1.00 0.00 C ATOM 882 NE ARG R 71 12.328 5.898 -5.991 1.00 0.00 N ATOM 883 CZ ARG R 71 12.386 7.202 -6.031 1.00 0.00 C ATOM 884 NH1 ARG R 71 12.304 7.897 -4.928 1.00 0.00 N ATOM 885 NH2 ARG R 71 12.525 7.812 -7.177 1.00 0.00 N ATOM 0 HA ARG R 71 12.608 4.256 -2.593 1.00 0.00 H new ATOM 0 HB2 ARG R 71 13.627 2.821 -4.583 1.00 0.00 H new ATOM 0 HB3 ARG R 71 12.257 1.768 -4.288 1.00 0.00 H new ATOM 0 HG2 ARG R 71 11.742 3.534 -6.003 1.00 0.00 H new ATOM 0 HG3 ARG R 71 10.677 3.632 -4.614 1.00 0.00 H new ATOM 0 HD2 ARG R 71 11.443 5.718 -4.065 1.00 0.00 H new ATOM 0 HD3 ARG R 71 13.115 5.198 -4.142 1.00 0.00 H new ATOM 0 HE ARG R 71 12.391 5.359 -6.855 1.00 0.00 H new ATOM 0 HH11 ARG R 71 12.194 7.421 -4.032 1.00 0.00 H new ATOM 0 HH12 ARG R 71 12.350 8.915 -4.962 1.00 0.00 H new ATOM 0 HH21 ARG R 71 12.588 7.270 -8.039 1.00 0.00 H new ATOM 0 HH22 ARG R 71 12.570 8.830 -7.210 1.00 0.00 H new ATOM 901 N ALA R 72 11.380 1.255 -1.902 1.00 0.00 N ATOM 902 CA ALA R 72 10.228 0.597 -1.225 1.00 0.00 C ATOM 903 C ALA R 72 9.008 0.616 -2.149 1.00 0.00 C ATOM 904 O ALA R 72 8.185 1.508 -2.089 1.00 0.00 O ATOM 905 CB ALA R 72 9.901 1.347 0.068 1.00 0.00 C ATOM 0 H ALA R 72 12.085 0.619 -2.274 1.00 0.00 H new ATOM 0 HA ALA R 72 10.488 -0.436 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA R 72 9.058 0.866 0.564 1.00 0.00 H new ATOM 0 HB2 ALA R 72 10.768 1.330 0.728 1.00 0.00 H new ATOM 0 HB3 ALA R 72 9.643 2.380 -0.166 1.00 0.00 H new ATOM 911 N LEU R 73 8.888 -0.361 -3.006 1.00 0.00 N ATOM 912 CA LEU R 73 7.722 -0.402 -3.935 1.00 0.00 C ATOM 913 C LEU R 73 6.427 -0.242 -3.126 1.00 0.00 C ATOM 914 O LEU R 73 6.300 -0.801 -2.054 1.00 0.00 O ATOM 915 CB LEU R 73 7.705 -1.757 -4.658 1.00 0.00 C ATOM 916 CG LEU R 73 8.030 -1.598 -6.154 1.00 0.00 C ATOM 917 CD1 LEU R 73 6.748 -1.287 -6.924 1.00 0.00 C ATOM 918 CD2 LEU R 73 9.041 -0.470 -6.376 1.00 0.00 C ATOM 0 H LEU R 73 9.547 -1.133 -3.103 1.00 0.00 H new ATOM 0 HA LEU R 73 7.800 0.404 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU R 73 8.430 -2.427 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU R 73 6.725 -2.220 -4.544 1.00 0.00 H new ATOM 0 HG LEU R 73 8.465 -2.531 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU R 73 6.978 -1.174 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU R 73 6.037 -2.103 -6.792 1.00 0.00 H new ATOM 0 HD13 LEU R 73 6.313 -0.362 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU R 73 9.255 -0.377 -7.441 1.00 0.00 H new ATOM 0 HD22 LEU R 73 8.627 0.468 -6.006 1.00 0.00 H new ATOM 0 HD23 LEU R 73 9.962 -0.696 -5.840 1.00 0.00 H new ATOM 930 N PRO R 74 5.506 0.517 -3.663 1.00 0.00 N ATOM 931 CA PRO R 74 4.212 0.765 -3.005 1.00 0.00 C ATOM 932 C PRO R 74 3.407 -0.540 -2.911 1.00 0.00 C ATOM 933 O PRO R 74 3.414 -1.332 -3.833 1.00 0.00 O ATOM 934 CB PRO R 74 3.496 1.769 -3.909 1.00 0.00 C ATOM 935 CG PRO R 74 4.392 2.007 -5.152 1.00 0.00 C ATOM 936 CD PRO R 74 5.680 1.191 -4.961 1.00 0.00 C ATOM 0 HA PRO R 74 4.330 1.141 -1.989 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.520 1.386 -4.208 1.00 0.00 H new ATOM 0 HB3 PRO R 74 3.322 2.705 -3.378 1.00 0.00 H new ATOM 0 HG2 PRO R 74 3.875 1.699 -6.061 1.00 0.00 H new ATOM 0 HG3 PRO R 74 4.623 3.067 -5.260 1.00 0.00 H new ATOM 0 HD2 PRO R 74 5.815 0.470 -5.767 1.00 0.00 H new ATOM 0 HD3 PRO R 74 6.560 1.834 -4.958 1.00 0.00 H new ATOM 944 N PRO R 75 2.738 -0.724 -1.801 1.00 0.00 N ATOM 945 CA PRO R 75 1.923 -1.929 -1.570 1.00 0.00 C ATOM 946 C PRO R 75 0.789 -2.005 -2.598 1.00 0.00 C ATOM 947 O PRO R 75 0.064 -1.052 -2.806 1.00 0.00 O ATOM 948 CB PRO R 75 1.358 -1.757 -0.153 1.00 0.00 C ATOM 949 CG PRO R 75 1.876 -0.403 0.399 1.00 0.00 C ATOM 950 CD PRO R 75 2.748 0.242 -0.689 1.00 0.00 C ATOM 0 HA PRO R 75 2.502 -2.847 -1.670 1.00 0.00 H new ATOM 0 HB2 PRO R 75 0.268 -1.771 -0.171 1.00 0.00 H new ATOM 0 HB3 PRO R 75 1.677 -2.579 0.488 1.00 0.00 H new ATOM 0 HG2 PRO R 75 1.042 0.249 0.657 1.00 0.00 H new ATOM 0 HG3 PRO R 75 2.454 -0.557 1.310 1.00 0.00 H new ATOM 0 HD2 PRO R 75 2.345 1.206 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO R 75 3.761 0.421 -0.329 1.00 0.00 H new ATOM 958 N LEU R 76 0.632 -3.129 -3.240 1.00 0.00 N ATOM 959 CA LEU R 76 -0.453 -3.264 -4.252 1.00 0.00 C ATOM 960 C LEU R 76 -1.815 -3.159 -3.559 1.00 0.00 C ATOM 961 O LEU R 76 -1.920 -3.375 -2.368 1.00 0.00 O ATOM 962 CB LEU R 76 -0.337 -4.626 -4.943 1.00 0.00 C ATOM 963 CG LEU R 76 0.891 -4.632 -5.855 1.00 0.00 C ATOM 964 CD1 LEU R 76 1.040 -6.011 -6.501 1.00 0.00 C ATOM 965 CD2 LEU R 76 0.720 -3.573 -6.947 1.00 0.00 C ATOM 0 H LEU R 76 1.208 -3.960 -3.108 1.00 0.00 H new ATOM 0 HA LEU R 76 -0.360 -2.470 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU R 76 -0.254 -5.418 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -1.236 -4.828 -5.525 1.00 0.00 H new ATOM 0 HG LEU R 76 1.781 -4.408 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU R 76 1.915 -6.016 -7.151 1.00 0.00 H new ATOM 0 HD12 LEU R 76 1.161 -6.766 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU R 76 0.150 -6.235 -7.089 1.00 0.00 H new ATOM 0 HD21 LEU R 76 1.595 -3.577 -7.597 1.00 0.00 H new ATOM 0 HD22 LEU R 76 -0.170 -3.797 -7.535 1.00 0.00 H new ATOM 0 HD23 LEU R 76 0.614 -2.590 -6.487 1.00 0.00 H new