USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 620 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 25 SER OG : rot 170:sc= -1.21 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -164:sc= -1.25 (180deg=-0.664) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.14 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0399 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 140:sc= -0.822 USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot -159:sc= -1.65 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0989 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= 0.124 (180deg=0.00751) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc=-0.00619 K(o=-0.0062,f=-1) USER MOD Single : A 61 SER OG : rot 96:sc= 1.25 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -1.04 USER MOD Single : A 71 THR OG1 : rot 12:sc= 1.67 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.944 4.268 -27.731 1.00 13.64 N ATOM 2 CA GLY A 1 2.852 4.509 -26.745 1.00 13.19 C ATOM 3 C GLY A 1 1.938 3.281 -26.682 1.00 12.36 C ATOM 4 O GLY A 1 2.099 2.345 -27.464 1.00 12.08 O ATOM 0 H1 GLY A 1 4.860 4.261 -27.239 1.00 13.64 H new ATOM 0 H2 GLY A 1 3.794 3.350 -28.197 1.00 13.64 H new ATOM 0 H3 GLY A 1 3.940 5.024 -28.445 1.00 13.64 H new ATOM 0 HA2 GLY A 1 3.275 4.711 -25.761 1.00 13.19 H new ATOM 0 HA3 GLY A 1 2.277 5.389 -27.032 1.00 13.19 H new ATOM 10 N PRO A 2 0.965 3.266 -25.754 1.00 12.13 N ATOM 11 CA PRO A 2 0.038 2.128 -25.619 1.00 11.53 C ATOM 12 C PRO A 2 -1.116 2.191 -26.618 1.00 10.87 C ATOM 13 O PRO A 2 -1.361 3.222 -27.243 1.00 11.06 O ATOM 14 CB PRO A 2 -0.472 2.293 -24.192 1.00 11.92 C ATOM 15 CG PRO A 2 -0.302 3.763 -23.822 1.00 12.50 C ATOM 16 CD PRO A 2 0.725 4.364 -24.788 1.00 12.69 C ATOM 0 HA PRO A 2 0.518 1.169 -25.817 1.00 11.53 H new ATOM 0 HB2 PRO A 2 -1.518 1.996 -24.120 1.00 11.92 H new ATOM 0 HB3 PRO A 2 0.088 1.656 -23.507 1.00 11.92 H new ATOM 0 HG2 PRO A 2 -1.253 4.290 -23.897 1.00 12.50 H new ATOM 0 HG3 PRO A 2 0.037 3.862 -22.791 1.00 12.50 H new ATOM 0 HD2 PRO A 2 0.340 5.257 -25.281 1.00 12.69 H new ATOM 0 HD3 PRO A 2 1.641 4.654 -24.273 1.00 12.69 H new ATOM 24 N ALA A 3 -1.822 1.072 -26.757 1.00 10.31 N ATOM 25 CA ALA A 3 -2.950 1.005 -27.683 1.00 9.88 C ATOM 26 C ALA A 3 -4.218 0.582 -26.947 1.00 8.87 C ATOM 27 O ALA A 3 -5.135 1.380 -26.750 1.00 8.87 O ATOM 28 CB ALA A 3 -2.666 0.004 -28.804 1.00 10.41 C ATOM 0 H ALA A 3 -1.637 0.208 -26.247 1.00 10.31 H new ATOM 0 HA ALA A 3 -3.092 1.997 -28.112 1.00 9.88 H new ATOM 0 HB1 ALA A 3 -3.517 -0.032 -29.484 1.00 10.41 H new ATOM 0 HB2 ALA A 3 -1.777 0.315 -29.352 1.00 10.41 H new ATOM 0 HB3 ALA A 3 -2.501 -0.985 -28.376 1.00 10.41 H new ATOM 34 N SER A 4 -4.259 -0.685 -26.545 1.00 8.23 N ATOM 35 CA SER A 4 -5.420 -1.210 -25.830 1.00 7.43 C ATOM 36 C SER A 4 -5.440 -0.693 -24.395 1.00 6.45 C ATOM 37 O SER A 4 -4.638 0.161 -24.020 1.00 6.46 O ATOM 38 CB SER A 4 -5.390 -2.738 -25.809 1.00 7.71 C ATOM 39 OG SER A 4 -6.721 -3.233 -25.766 1.00 8.01 O ATOM 0 H SER A 4 -3.511 -1.361 -26.699 1.00 8.23 H new ATOM 0 HA SER A 4 -6.316 -0.873 -26.350 1.00 7.43 H new ATOM 0 HB2 SER A 4 -4.878 -3.115 -26.694 1.00 7.71 H new ATOM 0 HB3 SER A 4 -4.831 -3.090 -24.942 1.00 7.71 H new ATOM 0 HG SER A 4 -6.705 -4.213 -25.754 1.00 8.01 H new ATOM 45 N VAL A 5 -6.373 -1.229 -23.600 1.00 5.93 N ATOM 46 CA VAL A 5 -6.524 -0.846 -22.194 1.00 5.29 C ATOM 47 C VAL A 5 -6.371 0.678 -21.979 1.00 4.34 C ATOM 48 O VAL A 5 -5.574 1.117 -21.151 1.00 4.23 O ATOM 49 CB VAL A 5 -5.508 -1.617 -21.339 1.00 5.68 C ATOM 50 CG1 VAL A 5 -4.075 -1.247 -21.738 1.00 5.89 C ATOM 51 CG2 VAL A 5 -5.733 -1.296 -19.863 1.00 6.25 C ATOM 0 H VAL A 5 -7.040 -1.935 -23.911 1.00 5.93 H new ATOM 0 HA VAL A 5 -7.536 -1.106 -21.885 1.00 5.29 H new ATOM 0 HB VAL A 5 -5.649 -2.685 -21.506 1.00 5.68 H new ATOM 0 HG11 VAL A 5 -3.370 -1.804 -21.121 1.00 5.89 H new ATOM 0 HG12 VAL A 5 -3.914 -1.496 -22.787 1.00 5.89 H new ATOM 0 HG13 VAL A 5 -3.921 -0.178 -21.591 1.00 5.89 H new ATOM 0 HG21 VAL A 5 -5.011 -1.844 -19.257 1.00 6.25 H new ATOM 0 HG22 VAL A 5 -5.605 -0.226 -19.700 1.00 6.25 H new ATOM 0 HG23 VAL A 5 -6.743 -1.589 -19.577 1.00 6.25 H new ATOM 61 N PRO A 6 -7.144 1.503 -22.709 1.00 4.14 N ATOM 62 CA PRO A 6 -7.065 2.970 -22.558 1.00 3.76 C ATOM 63 C PRO A 6 -7.784 3.473 -21.308 1.00 3.28 C ATOM 64 O PRO A 6 -7.182 4.110 -20.443 1.00 3.74 O ATOM 65 CB PRO A 6 -7.760 3.470 -23.819 1.00 4.55 C ATOM 66 CG PRO A 6 -8.683 2.355 -24.288 1.00 5.11 C ATOM 67 CD PRO A 6 -8.137 1.044 -23.713 1.00 4.91 C ATOM 0 HA PRO A 6 -6.040 3.321 -22.442 1.00 3.76 H new ATOM 0 HB2 PRO A 6 -8.326 4.379 -23.613 1.00 4.55 H new ATOM 0 HB3 PRO A 6 -7.030 3.717 -24.590 1.00 4.55 H new ATOM 0 HG2 PRO A 6 -9.703 2.530 -23.946 1.00 5.11 H new ATOM 0 HG3 PRO A 6 -8.715 2.314 -25.377 1.00 5.11 H new ATOM 0 HD2 PRO A 6 -8.925 0.445 -23.256 1.00 4.91 H new ATOM 0 HD3 PRO A 6 -7.675 0.427 -24.484 1.00 4.91 H new ATOM 75 N THR A 7 -9.078 3.179 -21.224 1.00 2.95 N ATOM 76 CA THR A 7 -9.873 3.606 -20.076 1.00 3.10 C ATOM 77 C THR A 7 -10.766 2.470 -19.591 1.00 2.71 C ATOM 78 O THR A 7 -11.869 2.697 -19.094 1.00 3.34 O ATOM 79 CB THR A 7 -10.747 4.805 -20.447 1.00 4.00 C ATOM 80 OG1 THR A 7 -10.071 5.604 -21.408 1.00 4.61 O ATOM 81 CG2 THR A 7 -11.032 5.639 -19.197 1.00 4.67 C ATOM 0 H THR A 7 -9.595 2.653 -21.929 1.00 2.95 H new ATOM 0 HA THR A 7 -9.186 3.891 -19.279 1.00 3.10 H new ATOM 0 HB THR A 7 -11.689 4.451 -20.867 1.00 4.00 H new ATOM 0 HG1 THR A 7 -10.631 6.372 -21.647 1.00 4.61 H new ATOM 0 HG21 THR A 7 -11.655 6.493 -19.464 1.00 4.67 H new ATOM 0 HG22 THR A 7 -11.552 5.026 -18.461 1.00 4.67 H new ATOM 0 HG23 THR A 7 -10.092 5.994 -18.774 1.00 4.67 H new ATOM 89 N THR A 8 -10.277 1.242 -19.740 1.00 2.31 N ATOM 90 CA THR A 8 -11.039 0.072 -19.313 1.00 2.57 C ATOM 91 C THR A 8 -10.634 -0.336 -17.899 1.00 2.19 C ATOM 92 O THR A 8 -9.740 0.259 -17.299 1.00 2.24 O ATOM 93 CB THR A 8 -10.794 -1.104 -20.260 1.00 3.29 C ATOM 94 OG1 THR A 8 -9.434 -1.105 -20.670 1.00 3.87 O ATOM 95 CG2 THR A 8 -11.698 -0.969 -21.487 1.00 3.77 C ATOM 0 H THR A 8 -9.366 1.032 -20.149 1.00 2.31 H new ATOM 0 HA THR A 8 -12.097 0.334 -19.330 1.00 2.57 H new ATOM 0 HB THR A 8 -11.019 -2.038 -19.746 1.00 3.29 H new ATOM 0 HG1 THR A 8 -9.100 -2.026 -20.692 1.00 3.87 H new ATOM 0 HG21 THR A 8 -11.523 -1.807 -22.162 1.00 3.77 H new ATOM 0 HG22 THR A 8 -12.741 -0.968 -21.172 1.00 3.77 H new ATOM 0 HG23 THR A 8 -11.474 -0.035 -22.003 1.00 3.77 H new ATOM 103 N CYS A 9 -11.305 -1.358 -17.375 1.00 2.05 N ATOM 104 CA CYS A 9 -11.006 -1.839 -16.027 1.00 1.84 C ATOM 105 C CYS A 9 -9.772 -2.733 -16.057 1.00 1.86 C ATOM 106 O CYS A 9 -9.207 -2.999 -17.118 1.00 2.40 O ATOM 107 CB CYS A 9 -12.184 -2.638 -15.447 1.00 1.97 C ATOM 108 SG CYS A 9 -13.739 -1.739 -15.695 1.00 2.39 S ATOM 0 H CYS A 9 -12.050 -1.864 -17.854 1.00 2.05 H new ATOM 0 HA CYS A 9 -10.826 -0.969 -15.396 1.00 1.84 H new ATOM 0 HB2 CYS A 9 -12.241 -3.615 -15.927 1.00 1.97 H new ATOM 0 HB3 CYS A 9 -12.024 -2.814 -14.383 1.00 1.97 H new ATOM 113 N CYS A 10 -9.356 -3.196 -14.882 1.00 1.73 N ATOM 114 CA CYS A 10 -8.183 -4.063 -14.792 1.00 1.73 C ATOM 115 C CYS A 10 -8.498 -5.296 -13.950 1.00 1.76 C ATOM 116 O CYS A 10 -8.297 -5.305 -12.736 1.00 2.04 O ATOM 117 CB CYS A 10 -7.004 -3.309 -14.161 1.00 1.70 C ATOM 118 SG CYS A 10 -5.457 -3.789 -14.976 1.00 2.06 S ATOM 0 H CYS A 10 -9.805 -2.990 -13.990 1.00 1.73 H new ATOM 0 HA CYS A 10 -7.913 -4.373 -15.802 1.00 1.73 H new ATOM 0 HB2 CYS A 10 -7.156 -2.234 -14.255 1.00 1.70 H new ATOM 0 HB3 CYS A 10 -6.948 -3.531 -13.095 1.00 1.70 H new ATOM 123 N PHE A 11 -8.996 -6.337 -14.612 1.00 1.84 N ATOM 124 CA PHE A 11 -9.339 -7.575 -13.919 1.00 1.87 C ATOM 125 C PHE A 11 -8.082 -8.390 -13.631 1.00 1.89 C ATOM 126 O PHE A 11 -7.019 -8.142 -14.202 1.00 2.03 O ATOM 127 CB PHE A 11 -10.296 -8.415 -14.765 1.00 2.02 C ATOM 128 CG PHE A 11 -11.658 -7.766 -14.774 1.00 2.03 C ATOM 129 CD1 PHE A 11 -12.319 -7.506 -13.567 1.00 2.35 C ATOM 130 CD2 PHE A 11 -12.262 -7.422 -15.990 1.00 2.39 C ATOM 131 CE1 PHE A 11 -13.581 -6.903 -13.575 1.00 2.43 C ATOM 132 CE2 PHE A 11 -13.525 -6.819 -15.998 1.00 2.43 C ATOM 133 CZ PHE A 11 -14.185 -6.559 -14.791 1.00 2.16 C ATOM 0 H PHE A 11 -9.170 -6.349 -15.617 1.00 1.84 H new ATOM 0 HA PHE A 11 -9.824 -7.311 -12.979 1.00 1.87 H new ATOM 0 HB2 PHE A 11 -9.917 -8.504 -15.783 1.00 2.02 H new ATOM 0 HB3 PHE A 11 -10.365 -9.425 -14.361 1.00 2.02 H new ATOM 0 HD1 PHE A 11 -11.854 -7.771 -12.629 1.00 2.35 H new ATOM 0 HD2 PHE A 11 -11.753 -7.622 -16.921 1.00 2.39 H new ATOM 0 HE1 PHE A 11 -14.090 -6.703 -12.644 1.00 2.43 H new ATOM 0 HE2 PHE A 11 -13.991 -6.554 -16.936 1.00 2.43 H new ATOM 0 HZ PHE A 11 -15.159 -6.093 -14.798 1.00 2.16 H new ATOM 143 N ASN A 12 -8.216 -9.366 -12.737 1.00 1.97 N ATOM 144 CA ASN A 12 -7.086 -10.217 -12.373 1.00 2.02 C ATOM 145 C ASN A 12 -5.960 -9.379 -11.768 1.00 1.88 C ATOM 146 O ASN A 12 -4.937 -9.126 -12.405 1.00 1.90 O ATOM 147 CB ASN A 12 -6.557 -10.964 -13.601 1.00 2.19 C ATOM 148 CG ASN A 12 -5.986 -12.311 -13.171 1.00 2.61 C ATOM 149 OD1 ASN A 12 -5.253 -12.396 -12.187 1.00 3.12 O ATOM 150 ND2 ASN A 12 -6.282 -13.381 -13.858 1.00 3.11 N ATOM 0 H ASN A 12 -9.087 -9.586 -12.255 1.00 1.97 H new ATOM 0 HA ASN A 12 -7.433 -10.941 -11.636 1.00 2.02 H new ATOM 0 HB2 ASN A 12 -7.360 -11.111 -14.324 1.00 2.19 H new ATOM 0 HB3 ASN A 12 -5.787 -10.372 -14.096 1.00 2.19 H new ATOM 0 HD21 ASN A 12 -5.905 -14.287 -13.579 1.00 3.11 H new ATOM 0 HD22 ASN A 12 -6.890 -13.311 -14.674 1.00 3.11 H new ATOM 157 N LEU A 13 -6.165 -8.950 -10.527 1.00 1.77 N ATOM 158 CA LEU A 13 -5.165 -8.139 -9.836 1.00 1.64 C ATOM 159 C LEU A 13 -3.887 -8.942 -9.619 1.00 1.72 C ATOM 160 O LEU A 13 -3.929 -10.132 -9.305 1.00 1.94 O ATOM 161 CB LEU A 13 -5.698 -7.672 -8.482 1.00 1.56 C ATOM 162 CG LEU A 13 -6.942 -6.811 -8.698 1.00 1.51 C ATOM 163 CD1 LEU A 13 -7.737 -6.725 -7.396 1.00 1.49 C ATOM 164 CD2 LEU A 13 -6.519 -5.404 -9.130 1.00 1.39 C ATOM 0 H LEU A 13 -7.005 -9.147 -9.983 1.00 1.77 H new ATOM 0 HA LEU A 13 -4.947 -7.271 -10.458 1.00 1.64 H new ATOM 0 HB2 LEU A 13 -5.941 -8.532 -7.858 1.00 1.56 H new ATOM 0 HB3 LEU A 13 -4.934 -7.101 -7.955 1.00 1.56 H new ATOM 0 HG LEU A 13 -7.563 -7.260 -9.473 1.00 1.51 H new ATOM 0 HD11 LEU A 13 -8.624 -6.111 -7.551 1.00 1.49 H new ATOM 0 HD12 LEU A 13 -8.038 -7.726 -7.087 1.00 1.49 H new ATOM 0 HD13 LEU A 13 -7.117 -6.277 -6.620 1.00 1.49 H new ATOM 0 HD21 LEU A 13 -7.406 -4.789 -9.284 1.00 1.39 H new ATOM 0 HD22 LEU A 13 -5.898 -4.957 -8.354 1.00 1.39 H new ATOM 0 HD23 LEU A 13 -5.952 -5.464 -10.059 1.00 1.39 H new ATOM 176 N ALA A 14 -2.750 -8.277 -9.795 1.00 1.59 N ATOM 177 CA ALA A 14 -1.458 -8.935 -9.619 1.00 1.66 C ATOM 178 C ALA A 14 -1.298 -9.423 -8.184 1.00 1.65 C ATOM 179 O ALA A 14 -1.622 -8.714 -7.231 1.00 1.57 O ATOM 180 CB ALA A 14 -0.318 -7.970 -9.947 1.00 1.59 C ATOM 0 H ALA A 14 -2.695 -7.293 -10.057 1.00 1.59 H new ATOM 0 HA ALA A 14 -1.420 -9.787 -10.298 1.00 1.66 H new ATOM 0 HB1 ALA A 14 0.638 -8.476 -9.811 1.00 1.59 H new ATOM 0 HB2 ALA A 14 -0.409 -7.638 -10.981 1.00 1.59 H new ATOM 0 HB3 ALA A 14 -0.369 -7.107 -9.283 1.00 1.59 H new ATOM 186 N ASN A 15 -0.791 -10.644 -8.040 1.00 1.79 N ATOM 187 CA ASN A 15 -0.587 -11.222 -6.715 1.00 1.82 C ATOM 188 C ASN A 15 0.862 -11.040 -6.278 1.00 1.80 C ATOM 189 O ASN A 15 1.152 -10.854 -5.096 1.00 1.76 O ATOM 190 CB ASN A 15 -0.923 -12.714 -6.723 1.00 2.04 C ATOM 191 CG ASN A 15 -1.209 -13.179 -5.299 1.00 2.36 C ATOM 192 OD1 ASN A 15 -2.255 -12.861 -4.733 1.00 2.95 O ATOM 193 ND2 ASN A 15 -0.332 -13.921 -4.679 1.00 2.78 N ATOM 0 H ASN A 15 -0.516 -11.247 -8.815 1.00 1.79 H new ATOM 0 HA ASN A 15 -1.247 -10.708 -6.016 1.00 1.82 H new ATOM 0 HB2 ASN A 15 -1.789 -12.899 -7.358 1.00 2.04 H new ATOM 0 HB3 ASN A 15 -0.093 -13.282 -7.143 1.00 2.04 H new ATOM 0 HD21 ASN A 15 -0.514 -14.237 -3.726 1.00 2.78 H new ATOM 0 HD22 ASN A 15 0.535 -14.185 -5.147 1.00 2.78 H new ATOM 200 N ARG A 16 1.769 -11.093 -7.250 1.00 1.88 N ATOM 201 CA ARG A 16 3.191 -10.931 -6.960 1.00 1.89 C ATOM 202 C ARG A 16 3.519 -9.458 -6.740 1.00 1.70 C ATOM 203 O ARG A 16 2.694 -8.580 -6.988 1.00 1.66 O ATOM 204 CB ARG A 16 4.037 -11.463 -8.118 1.00 2.03 C ATOM 205 CG ARG A 16 4.158 -12.984 -8.006 1.00 2.27 C ATOM 206 CD ARG A 16 4.258 -13.593 -9.406 1.00 2.52 C ATOM 207 NE ARG A 16 3.769 -14.973 -9.405 1.00 3.05 N ATOM 208 CZ ARG A 16 4.005 -15.814 -10.423 1.00 3.51 C ATOM 209 NH1 ARG A 16 4.692 -15.434 -11.474 1.00 3.65 N ATOM 210 NH2 ARG A 16 3.544 -17.034 -10.366 1.00 4.27 N ATOM 0 H ARG A 16 1.549 -11.245 -8.234 1.00 1.88 H new ATOM 0 HA ARG A 16 3.420 -11.496 -6.056 1.00 1.89 H new ATOM 0 HB2 ARG A 16 3.580 -11.193 -9.070 1.00 2.03 H new ATOM 0 HB3 ARG A 16 5.027 -11.007 -8.099 1.00 2.03 H new ATOM 0 HG2 ARG A 16 5.038 -13.247 -7.420 1.00 2.27 H new ATOM 0 HG3 ARG A 16 3.293 -13.391 -7.482 1.00 2.27 H new ATOM 0 HD2 ARG A 16 3.678 -12.997 -10.110 1.00 2.52 H new ATOM 0 HD3 ARG A 16 5.293 -13.569 -9.746 1.00 2.52 H new ATOM 0 HE ARG A 16 3.232 -15.306 -8.604 1.00 3.05 H new ATOM 0 HH11 ARG A 16 5.058 -14.483 -11.528 1.00 3.65 H new ATOM 0 HH12 ARG A 16 4.860 -16.089 -12.237 1.00 3.65 H new ATOM 0 HH21 ARG A 16 3.010 -17.340 -9.553 1.00 4.27 H new ATOM 0 HH22 ARG A 16 3.718 -17.681 -11.135 1.00 4.27 H new ATOM 224 N LYS A 17 4.736 -9.199 -6.270 1.00 1.67 N ATOM 225 CA LYS A 17 5.165 -7.826 -6.018 1.00 1.53 C ATOM 226 C LYS A 17 6.034 -7.319 -7.164 1.00 1.51 C ATOM 227 O LYS A 17 7.018 -7.952 -7.546 1.00 1.61 O ATOM 228 CB LYS A 17 5.960 -7.741 -4.712 1.00 1.59 C ATOM 229 CG LYS A 17 5.160 -8.389 -3.579 1.00 1.98 C ATOM 230 CD LYS A 17 5.582 -7.776 -2.241 1.00 2.07 C ATOM 231 CE LYS A 17 6.682 -8.632 -1.613 1.00 2.71 C ATOM 232 NZ LYS A 17 7.603 -7.761 -0.829 1.00 3.18 N ATOM 0 H LYS A 17 5.435 -9.911 -6.058 1.00 1.67 H new ATOM 0 HA LYS A 17 4.272 -7.206 -5.938 1.00 1.53 H new ATOM 0 HB2 LYS A 17 6.920 -8.244 -4.826 1.00 1.59 H new ATOM 0 HB3 LYS A 17 6.172 -6.699 -4.471 1.00 1.59 H new ATOM 0 HG2 LYS A 17 4.093 -8.237 -3.740 1.00 1.98 H new ATOM 0 HG3 LYS A 17 5.331 -9.465 -3.568 1.00 1.98 H new ATOM 0 HD2 LYS A 17 5.940 -6.758 -2.392 1.00 2.07 H new ATOM 0 HD3 LYS A 17 4.725 -7.716 -1.570 1.00 2.07 H new ATOM 0 HE2 LYS A 17 6.242 -9.390 -0.965 1.00 2.71 H new ATOM 0 HE3 LYS A 17 7.236 -9.159 -2.390 1.00 2.71 H new ATOM 0 HZ1 LYS A 17 8.351 -8.343 -0.402 1.00 3.18 H new ATOM 0 HZ2 LYS A 17 8.032 -7.053 -1.459 1.00 3.18 H new ATOM 0 HZ3 LYS A 17 7.069 -7.278 -0.079 1.00 3.18 H new ATOM 246 N ILE A 18 5.655 -6.167 -7.710 1.00 1.40 N ATOM 247 CA ILE A 18 6.400 -5.572 -8.816 1.00 1.41 C ATOM 248 C ILE A 18 7.494 -4.642 -8.272 1.00 1.34 C ATOM 249 O ILE A 18 7.262 -3.919 -7.303 1.00 1.25 O ATOM 250 CB ILE A 18 5.450 -4.769 -9.713 1.00 1.35 C ATOM 251 CG1 ILE A 18 4.300 -5.672 -10.168 1.00 1.44 C ATOM 252 CG2 ILE A 18 6.202 -4.249 -10.939 1.00 1.42 C ATOM 253 CD1 ILE A 18 3.264 -4.842 -10.931 1.00 1.39 C ATOM 0 H ILE A 18 4.842 -5.630 -7.408 1.00 1.40 H new ATOM 0 HA ILE A 18 6.861 -6.370 -9.398 1.00 1.41 H new ATOM 0 HB ILE A 18 5.056 -3.923 -9.151 1.00 1.35 H new ATOM 0 HG12 ILE A 18 4.681 -6.470 -10.805 1.00 1.44 H new ATOM 0 HG13 ILE A 18 3.835 -6.148 -9.305 1.00 1.44 H new ATOM 0 HG21 ILE A 18 5.519 -3.680 -11.570 1.00 1.42 H new ATOM 0 HG22 ILE A 18 7.021 -3.605 -10.618 1.00 1.42 H new ATOM 0 HG23 ILE A 18 6.602 -5.091 -11.504 1.00 1.42 H new ATOM 0 HD11 ILE A 18 2.447 -5.487 -11.254 1.00 1.39 H new ATOM 0 HD12 ILE A 18 2.873 -4.060 -10.280 1.00 1.39 H new ATOM 0 HD13 ILE A 18 3.733 -4.387 -11.803 1.00 1.39 H new ATOM 265 N PRO A 19 8.700 -4.640 -8.873 1.00 1.42 N ATOM 266 CA PRO A 19 9.795 -3.773 -8.399 1.00 1.41 C ATOM 267 C PRO A 19 9.638 -2.322 -8.842 1.00 1.34 C ATOM 268 O PRO A 19 8.926 -2.020 -9.800 1.00 1.33 O ATOM 269 CB PRO A 19 11.024 -4.410 -9.034 1.00 1.55 C ATOM 270 CG PRO A 19 10.544 -5.192 -10.249 1.00 1.63 C ATOM 271 CD PRO A 19 9.052 -5.480 -10.045 1.00 1.56 C ATOM 0 HA PRO A 19 9.836 -3.715 -7.311 1.00 1.41 H new ATOM 0 HB2 PRO A 19 11.746 -3.647 -9.327 1.00 1.55 H new ATOM 0 HB3 PRO A 19 11.526 -5.069 -8.326 1.00 1.55 H new ATOM 0 HG2 PRO A 19 10.703 -4.619 -11.162 1.00 1.63 H new ATOM 0 HG3 PRO A 19 11.104 -6.121 -10.354 1.00 1.63 H new ATOM 0 HD2 PRO A 19 8.466 -5.210 -10.924 1.00 1.56 H new ATOM 0 HD3 PRO A 19 8.869 -6.537 -9.852 1.00 1.56 H new ATOM 279 N LEU A 20 10.306 -1.430 -8.119 1.00 1.32 N ATOM 280 CA LEU A 20 10.236 -0.003 -8.424 1.00 1.31 C ATOM 281 C LEU A 20 11.166 0.358 -9.577 1.00 1.40 C ATOM 282 O LEU A 20 10.823 1.166 -10.441 1.00 1.43 O ATOM 283 CB LEU A 20 10.623 0.825 -7.195 1.00 1.31 C ATOM 284 CG LEU A 20 9.800 0.374 -5.985 1.00 1.26 C ATOM 285 CD1 LEU A 20 10.268 1.130 -4.740 1.00 1.32 C ATOM 286 CD2 LEU A 20 8.316 0.666 -6.233 1.00 1.19 C ATOM 0 H LEU A 20 10.898 -1.666 -7.323 1.00 1.32 H new ATOM 0 HA LEU A 20 9.209 0.222 -8.712 1.00 1.31 H new ATOM 0 HB2 LEU A 20 11.687 0.708 -6.987 1.00 1.31 H new ATOM 0 HB3 LEU A 20 10.451 1.884 -7.389 1.00 1.31 H new ATOM 0 HG LEU A 20 9.937 -0.697 -5.834 1.00 1.26 H new ATOM 0 HD11 LEU A 20 9.683 0.810 -3.878 1.00 1.32 H new ATOM 0 HD12 LEU A 20 11.322 0.919 -4.561 1.00 1.32 H new ATOM 0 HD13 LEU A 20 10.133 2.201 -4.892 1.00 1.32 H new ATOM 0 HD21 LEU A 20 7.733 0.344 -5.370 1.00 1.19 H new ATOM 0 HD22 LEU A 20 8.176 1.736 -6.386 1.00 1.19 H new ATOM 0 HD23 LEU A 20 7.982 0.126 -7.119 1.00 1.19 H new ATOM 298 N GLN A 21 12.353 -0.242 -9.577 1.00 1.48 N ATOM 299 CA GLN A 21 13.338 0.029 -10.624 1.00 1.59 C ATOM 300 C GLN A 21 12.772 -0.300 -12.003 1.00 1.61 C ATOM 301 O GLN A 21 13.133 0.322 -13.002 1.00 1.69 O ATOM 302 CB GLN A 21 14.603 -0.798 -10.395 1.00 1.68 C ATOM 303 CG GLN A 21 15.728 -0.268 -11.287 1.00 1.78 C ATOM 304 CD GLN A 21 17.073 -0.520 -10.613 1.00 1.91 C ATOM 305 OE1 GLN A 21 17.835 -1.389 -11.040 1.00 2.31 O ATOM 306 NE2 GLN A 21 17.415 0.195 -9.577 1.00 2.28 N ATOM 0 H GLN A 21 12.656 -0.913 -8.871 1.00 1.48 H new ATOM 0 HA GLN A 21 13.582 1.090 -10.581 1.00 1.59 H new ATOM 0 HB2 GLN A 21 14.900 -0.746 -9.347 1.00 1.68 H new ATOM 0 HB3 GLN A 21 14.410 -1.847 -10.620 1.00 1.68 H new ATOM 0 HG2 GLN A 21 15.698 -0.760 -12.259 1.00 1.78 H new ATOM 0 HG3 GLN A 21 15.593 0.799 -11.466 1.00 1.78 H new ATOM 0 HE21 GLN A 21 16.784 0.914 -9.223 1.00 2.28 H new ATOM 0 HE22 GLN A 21 18.313 0.035 -9.121 1.00 2.28 H new ATOM 315 N ARG A 22 11.881 -1.285 -12.046 1.00 1.58 N ATOM 316 CA ARG A 22 11.269 -1.689 -13.307 1.00 1.64 C ATOM 317 C ARG A 22 9.979 -0.909 -13.578 1.00 1.57 C ATOM 318 O ARG A 22 9.444 -0.950 -14.686 1.00 1.65 O ATOM 319 CB ARG A 22 10.944 -3.183 -13.277 1.00 1.67 C ATOM 320 CG ARG A 22 10.970 -3.745 -14.700 1.00 1.81 C ATOM 321 CD ARG A 22 12.344 -4.355 -14.983 1.00 2.19 C ATOM 322 NE ARG A 22 13.233 -3.366 -15.597 1.00 2.69 N ATOM 323 CZ ARG A 22 14.493 -3.661 -15.950 1.00 3.31 C ATOM 324 NH1 ARG A 22 14.990 -4.860 -15.757 1.00 3.61 N ATOM 325 NH2 ARG A 22 15.238 -2.738 -16.493 1.00 4.07 N ATOM 0 H ARG A 22 11.569 -1.814 -11.231 1.00 1.58 H new ATOM 0 HA ARG A 22 11.983 -1.475 -14.102 1.00 1.64 H new ATOM 0 HB2 ARG A 22 11.667 -3.710 -12.654 1.00 1.67 H new ATOM 0 HB3 ARG A 22 9.963 -3.343 -12.830 1.00 1.67 H new ATOM 0 HG2 ARG A 22 10.194 -4.501 -14.818 1.00 1.81 H new ATOM 0 HG3 ARG A 22 10.757 -2.954 -15.419 1.00 1.81 H new ATOM 0 HD2 ARG A 22 12.784 -4.720 -14.055 1.00 2.19 H new ATOM 0 HD3 ARG A 22 12.236 -5.215 -15.644 1.00 2.19 H new ATOM 0 HE ARG A 22 12.883 -2.422 -15.761 1.00 2.69 H new ATOM 0 HH11 ARG A 22 14.416 -5.588 -15.332 1.00 3.61 H new ATOM 0 HH12 ARG A 22 15.951 -5.064 -16.032 1.00 3.61 H new ATOM 0 HH21 ARG A 22 14.861 -1.803 -16.645 1.00 4.07 H new ATOM 0 HH22 ARG A 22 16.198 -2.952 -16.765 1.00 4.07 H new ATOM 339 N LEU A 23 9.473 -0.206 -12.562 1.00 1.46 N ATOM 340 CA LEU A 23 8.239 0.562 -12.720 1.00 1.41 C ATOM 341 C LEU A 23 8.485 1.837 -13.521 1.00 1.51 C ATOM 342 O LEU A 23 9.551 2.447 -13.445 1.00 1.58 O ATOM 343 CB LEU A 23 7.664 0.938 -11.349 1.00 1.30 C ATOM 344 CG LEU A 23 6.527 -0.020 -10.982 1.00 1.21 C ATOM 345 CD1 LEU A 23 6.122 0.201 -9.518 1.00 1.12 C ATOM 346 CD2 LEU A 23 5.323 0.240 -11.895 1.00 1.22 C ATOM 0 H LEU A 23 9.893 -0.153 -11.634 1.00 1.46 H new ATOM 0 HA LEU A 23 7.528 -0.065 -13.258 1.00 1.41 H new ATOM 0 HB2 LEU A 23 8.447 0.894 -10.592 1.00 1.30 H new ATOM 0 HB3 LEU A 23 7.296 1.964 -11.368 1.00 1.30 H new ATOM 0 HG LEU A 23 6.863 -1.049 -11.112 1.00 1.21 H new ATOM 0 HD11 LEU A 23 5.313 -0.481 -9.257 1.00 1.12 H new ATOM 0 HD12 LEU A 23 6.979 0.012 -8.871 1.00 1.12 H new ATOM 0 HD13 LEU A 23 5.787 1.230 -9.385 1.00 1.12 H new ATOM 0 HD21 LEU A 23 4.514 -0.442 -11.633 1.00 1.22 H new ATOM 0 HD22 LEU A 23 4.986 1.269 -11.768 1.00 1.22 H new ATOM 0 HD23 LEU A 23 5.612 0.078 -12.933 1.00 1.22 H new ATOM 358 N GLU A 24 7.466 2.235 -14.278 1.00 1.55 N ATOM 359 CA GLU A 24 7.548 3.447 -15.089 1.00 1.66 C ATOM 360 C GLU A 24 6.497 4.456 -14.629 1.00 1.63 C ATOM 361 O GLU A 24 6.758 5.656 -14.551 1.00 1.71 O ATOM 362 CB GLU A 24 7.317 3.122 -16.565 1.00 1.79 C ATOM 363 CG GLU A 24 7.809 4.286 -17.428 1.00 2.10 C ATOM 364 CD GLU A 24 9.329 4.370 -17.350 1.00 2.48 C ATOM 365 OE1 GLU A 24 9.981 3.717 -18.149 1.00 2.89 O ATOM 366 OE2 GLU A 24 9.820 5.087 -16.494 1.00 3.03 O ATOM 0 H GLU A 24 6.578 1.739 -14.347 1.00 1.55 H new ATOM 0 HA GLU A 24 8.544 3.872 -14.968 1.00 1.66 H new ATOM 0 HB2 GLU A 24 7.846 2.207 -16.834 1.00 1.79 H new ATOM 0 HB3 GLU A 24 6.257 2.943 -16.747 1.00 1.79 H new ATOM 0 HG2 GLU A 24 7.495 4.144 -18.462 1.00 2.10 H new ATOM 0 HG3 GLU A 24 7.364 5.220 -17.085 1.00 2.10 H new ATOM 373 N SER A 25 5.305 3.949 -14.320 1.00 1.54 N ATOM 374 CA SER A 25 4.211 4.801 -13.863 1.00 1.52 C ATOM 375 C SER A 25 3.038 3.940 -13.403 1.00 1.41 C ATOM 376 O SER A 25 3.153 2.718 -13.300 1.00 1.40 O ATOM 377 CB SER A 25 3.743 5.727 -14.985 1.00 1.67 C ATOM 378 OG SER A 25 3.015 4.972 -15.944 1.00 2.07 O ATOM 0 H SER A 25 5.074 2.957 -14.378 1.00 1.54 H new ATOM 0 HA SER A 25 4.574 5.405 -13.031 1.00 1.52 H new ATOM 0 HB2 SER A 25 3.117 6.521 -14.579 1.00 1.67 H new ATOM 0 HB3 SER A 25 4.600 6.207 -15.457 1.00 1.67 H new ATOM 0 HG SER A 25 2.578 5.580 -16.576 1.00 2.07 H new ATOM 384 N TYR A 26 1.906 4.583 -13.131 1.00 1.39 N ATOM 385 CA TYR A 26 0.722 3.852 -12.689 1.00 1.30 C ATOM 386 C TYR A 26 -0.553 4.613 -13.063 1.00 1.36 C ATOM 387 O TYR A 26 -0.546 5.835 -13.207 1.00 1.44 O ATOM 388 CB TYR A 26 0.777 3.590 -11.167 1.00 1.15 C ATOM 389 CG TYR A 26 0.465 4.845 -10.367 1.00 1.13 C ATOM 390 CD1 TYR A 26 1.197 6.021 -10.580 1.00 1.74 C ATOM 391 CD2 TYR A 26 -0.559 4.824 -9.411 1.00 1.57 C ATOM 392 CE1 TYR A 26 0.903 7.173 -9.841 1.00 1.73 C ATOM 393 CE2 TYR A 26 -0.852 5.976 -8.672 1.00 1.62 C ATOM 394 CZ TYR A 26 -0.121 7.150 -8.887 1.00 1.19 C ATOM 395 OH TYR A 26 -0.410 8.286 -8.158 1.00 1.28 O ATOM 0 H TYR A 26 1.783 5.593 -13.207 1.00 1.39 H new ATOM 0 HA TYR A 26 0.706 2.889 -13.198 1.00 1.30 H new ATOM 0 HB2 TYR A 26 0.065 2.807 -10.907 1.00 1.15 H new ATOM 0 HB3 TYR A 26 1.767 3.223 -10.897 1.00 1.15 H new ATOM 0 HD1 TYR A 26 1.988 6.038 -11.315 1.00 1.74 H new ATOM 0 HD2 TYR A 26 -1.123 3.918 -9.244 1.00 1.57 H new ATOM 0 HE1 TYR A 26 1.466 8.079 -10.007 1.00 1.73 H new ATOM 0 HE2 TYR A 26 -1.642 5.959 -7.936 1.00 1.62 H new ATOM 0 HH TYR A 26 -0.885 8.036 -7.338 1.00 1.28 H new ATOM 405 N ARG A 27 -1.643 3.869 -13.217 1.00 1.34 N ATOM 406 CA ARG A 27 -2.922 4.477 -13.575 1.00 1.42 C ATOM 407 C ARG A 27 -4.043 3.908 -12.712 1.00 1.32 C ATOM 408 O ARG A 27 -4.533 2.804 -12.953 1.00 1.29 O ATOM 409 CB ARG A 27 -3.245 4.215 -15.047 1.00 1.57 C ATOM 410 CG ARG A 27 -4.091 5.366 -15.597 1.00 1.91 C ATOM 411 CD ARG A 27 -3.219 6.613 -15.749 1.00 2.15 C ATOM 412 NE ARG A 27 -3.739 7.481 -16.808 1.00 2.51 N ATOM 413 CZ ARG A 27 -3.737 7.111 -18.097 1.00 2.96 C ATOM 414 NH1 ARG A 27 -3.265 5.945 -18.471 1.00 3.26 N ATOM 415 NH2 ARG A 27 -4.213 7.927 -18.998 1.00 3.60 N ATOM 0 H ARG A 27 -1.669 2.856 -13.102 1.00 1.34 H new ATOM 0 HA ARG A 27 -2.843 5.551 -13.406 1.00 1.42 H new ATOM 0 HB2 ARG A 27 -2.323 4.120 -15.621 1.00 1.57 H new ATOM 0 HB3 ARG A 27 -3.783 3.273 -15.150 1.00 1.57 H new ATOM 0 HG2 ARG A 27 -4.519 5.089 -16.560 1.00 1.91 H new ATOM 0 HG3 ARG A 27 -4.925 5.572 -14.926 1.00 1.91 H new ATOM 0 HD2 ARG A 27 -3.189 7.159 -14.806 1.00 2.15 H new ATOM 0 HD3 ARG A 27 -2.195 6.321 -15.981 1.00 2.15 H new ATOM 0 HE ARG A 27 -4.114 8.396 -16.557 1.00 2.51 H new ATOM 0 HH11 ARG A 27 -2.890 5.300 -17.776 1.00 3.26 H new ATOM 0 HH12 ARG A 27 -3.273 5.684 -19.457 1.00 3.26 H new ATOM 0 HH21 ARG A 27 -4.582 8.836 -18.719 1.00 3.60 H new ATOM 0 HH22 ARG A 27 -4.216 7.655 -19.981 1.00 3.60 H new ATOM 429 N ARG A 28 -4.445 4.676 -11.704 1.00 1.31 N ATOM 430 CA ARG A 28 -5.513 4.242 -10.808 1.00 1.25 C ATOM 431 C ARG A 28 -6.856 4.291 -11.526 1.00 1.35 C ATOM 432 O ARG A 28 -7.028 5.012 -12.509 1.00 1.48 O ATOM 433 CB ARG A 28 -5.574 5.139 -9.569 1.00 1.26 C ATOM 434 CG ARG A 28 -5.939 4.304 -8.340 1.00 1.25 C ATOM 435 CD ARG A 28 -6.681 5.180 -7.329 1.00 1.52 C ATOM 436 NE ARG A 28 -7.072 4.396 -6.155 1.00 1.69 N ATOM 437 CZ ARG A 28 -7.945 4.858 -5.248 1.00 2.01 C ATOM 438 NH1 ARG A 28 -8.493 6.044 -5.374 1.00 2.51 N ATOM 439 NH2 ARG A 28 -8.256 4.116 -4.221 1.00 2.49 N ATOM 0 H ARG A 28 -4.053 5.592 -11.488 1.00 1.31 H new ATOM 0 HA ARG A 28 -5.301 3.218 -10.500 1.00 1.25 H new ATOM 0 HB2 ARG A 28 -4.612 5.627 -9.415 1.00 1.26 H new ATOM 0 HB3 ARG A 28 -6.312 5.928 -9.716 1.00 1.26 H new ATOM 0 HG2 ARG A 28 -6.563 3.460 -8.633 1.00 1.25 H new ATOM 0 HG3 ARG A 28 -5.038 3.891 -7.887 1.00 1.25 H new ATOM 0 HD2 ARG A 28 -6.044 6.010 -7.023 1.00 1.52 H new ATOM 0 HD3 ARG A 28 -7.566 5.612 -7.795 1.00 1.52 H new ATOM 0 HE ARG A 28 -6.667 3.469 -6.023 1.00 1.69 H new ATOM 0 HH11 ARG A 28 -8.257 6.633 -6.173 1.00 2.51 H new ATOM 0 HH12 ARG A 28 -9.155 6.377 -4.673 1.00 2.51 H new ATOM 0 HH21 ARG A 28 -7.836 3.193 -4.113 1.00 2.49 H new ATOM 0 HH22 ARG A 28 -8.919 4.459 -3.526 1.00 2.49 H new ATOM 453 N ILE A 29 -7.806 3.514 -11.022 1.00 1.33 N ATOM 454 CA ILE A 29 -9.136 3.466 -11.614 1.00 1.45 C ATOM 455 C ILE A 29 -10.200 3.675 -10.543 1.00 1.43 C ATOM 456 O ILE A 29 -10.165 3.056 -9.480 1.00 1.36 O ATOM 457 CB ILE A 29 -9.371 2.117 -12.292 1.00 1.51 C ATOM 458 CG1 ILE A 29 -8.214 1.812 -13.249 1.00 1.57 C ATOM 459 CG2 ILE A 29 -10.678 2.167 -13.078 1.00 1.67 C ATOM 460 CD1 ILE A 29 -8.368 0.394 -13.802 1.00 1.70 C ATOM 0 H ILE A 29 -7.681 2.911 -10.209 1.00 1.33 H new ATOM 0 HA ILE A 29 -9.204 4.261 -12.356 1.00 1.45 H new ATOM 0 HB ILE A 29 -9.428 1.336 -11.534 1.00 1.51 H new ATOM 0 HG12 ILE A 29 -8.205 2.533 -14.066 1.00 1.57 H new ATOM 0 HG13 ILE A 29 -7.262 1.909 -12.727 1.00 1.57 H new ATOM 0 HG21 ILE A 29 -10.848 1.206 -13.563 1.00 1.67 H new ATOM 0 HG22 ILE A 29 -11.503 2.382 -12.399 1.00 1.67 H new ATOM 0 HG23 ILE A 29 -10.618 2.949 -13.835 1.00 1.67 H new ATOM 0 HD11 ILE A 29 -7.545 0.178 -14.483 1.00 1.70 H new ATOM 0 HD12 ILE A 29 -8.356 -0.321 -12.979 1.00 1.70 H new ATOM 0 HD13 ILE A 29 -9.313 0.313 -14.339 1.00 1.70 H new ATOM 472 N THR A 30 -11.150 4.556 -10.842 1.00 1.59 N ATOM 473 CA THR A 30 -12.234 4.850 -9.905 1.00 1.64 C ATOM 474 C THR A 30 -13.285 5.731 -10.577 1.00 1.87 C ATOM 475 O THR A 30 -13.884 6.603 -9.947 1.00 2.31 O ATOM 476 CB THR A 30 -11.691 5.566 -8.661 1.00 1.74 C ATOM 477 OG1 THR A 30 -10.484 6.239 -8.992 1.00 2.30 O ATOM 478 CG2 THR A 30 -11.419 4.543 -7.556 1.00 2.22 C ATOM 0 H THR A 30 -11.193 5.076 -11.718 1.00 1.59 H new ATOM 0 HA THR A 30 -12.689 3.907 -9.603 1.00 1.64 H new ATOM 0 HB THR A 30 -12.427 6.289 -8.310 1.00 1.74 H new ATOM 0 HG1 THR A 30 -10.137 6.698 -8.199 1.00 2.30 H new ATOM 0 HG21 THR A 30 -11.033 5.054 -6.674 1.00 2.22 H new ATOM 0 HG22 THR A 30 -12.345 4.028 -7.301 1.00 2.22 H new ATOM 0 HG23 THR A 30 -10.684 3.817 -7.905 1.00 2.22 H new ATOM 486 N SER A 31 -13.500 5.494 -11.868 1.00 2.05 N ATOM 487 CA SER A 31 -14.479 6.271 -12.622 1.00 2.29 C ATOM 488 C SER A 31 -15.889 5.997 -12.110 1.00 2.24 C ATOM 489 O SER A 31 -16.649 6.921 -11.818 1.00 2.70 O ATOM 490 CB SER A 31 -14.412 5.917 -14.109 1.00 3.07 C ATOM 491 OG SER A 31 -14.892 7.014 -14.874 1.00 3.47 O ATOM 0 H SER A 31 -13.015 4.778 -12.409 1.00 2.05 H new ATOM 0 HA SER A 31 -14.244 7.327 -12.488 1.00 2.29 H new ATOM 0 HB2 SER A 31 -13.386 5.682 -14.393 1.00 3.07 H new ATOM 0 HB3 SER A 31 -15.010 5.028 -14.311 1.00 3.07 H new ATOM 0 HG SER A 31 -14.849 6.792 -15.827 1.00 3.47 H new ATOM 497 N GLY A 32 -16.230 4.717 -12.007 1.00 2.23 N ATOM 498 CA GLY A 32 -17.554 4.328 -11.532 1.00 2.54 C ATOM 499 C GLY A 32 -18.174 3.272 -12.444 1.00 2.44 C ATOM 500 O GLY A 32 -18.983 2.454 -12.009 1.00 2.68 O ATOM 0 H GLY A 32 -15.616 3.938 -12.243 1.00 2.23 H new ATOM 0 HA2 GLY A 32 -17.480 3.939 -10.517 1.00 2.54 H new ATOM 0 HA3 GLY A 32 -18.201 5.204 -11.491 1.00 2.54 H new ATOM 504 N LYS A 33 -17.787 3.301 -13.718 1.00 2.37 N ATOM 505 CA LYS A 33 -18.314 2.342 -14.684 1.00 2.49 C ATOM 506 C LYS A 33 -17.778 0.944 -14.395 1.00 2.30 C ATOM 507 O LYS A 33 -18.457 -0.057 -14.625 1.00 2.48 O ATOM 508 CB LYS A 33 -17.920 2.742 -16.107 1.00 2.87 C ATOM 509 CG LYS A 33 -18.852 2.057 -17.108 1.00 3.62 C ATOM 510 CD LYS A 33 -18.404 2.387 -18.533 1.00 4.07 C ATOM 511 CE LYS A 33 -19.609 2.324 -19.474 1.00 4.74 C ATOM 512 NZ LYS A 33 -19.136 2.119 -20.872 1.00 5.35 N ATOM 0 H LYS A 33 -17.119 3.970 -14.101 1.00 2.37 H new ATOM 0 HA LYS A 33 -19.400 2.340 -14.596 1.00 2.49 H new ATOM 0 HB2 LYS A 33 -17.979 3.824 -16.221 1.00 2.87 H new ATOM 0 HB3 LYS A 33 -16.886 2.457 -16.303 1.00 2.87 H new ATOM 0 HG2 LYS A 33 -18.840 0.978 -16.953 1.00 3.62 H new ATOM 0 HG3 LYS A 33 -19.878 2.390 -16.952 1.00 3.62 H new ATOM 0 HD2 LYS A 33 -17.956 3.380 -18.564 1.00 4.07 H new ATOM 0 HD3 LYS A 33 -17.638 1.682 -18.857 1.00 4.07 H new ATOM 0 HE2 LYS A 33 -20.272 1.510 -19.180 1.00 4.74 H new ATOM 0 HE3 LYS A 33 -20.186 3.246 -19.405 1.00 4.74 H new ATOM 0 HZ1 LYS A 33 -19.954 2.076 -21.513 1.00 5.35 H new ATOM 0 HZ2 LYS A 33 -18.520 2.910 -21.150 1.00 5.35 H new ATOM 0 HZ3 LYS A 33 -18.603 1.228 -20.931 1.00 5.35 H new ATOM 526 N CYS A 34 -16.550 0.886 -13.886 1.00 2.10 N ATOM 527 CA CYS A 34 -15.932 -0.398 -13.566 1.00 1.97 C ATOM 528 C CYS A 34 -16.662 -1.064 -12.396 1.00 2.00 C ATOM 529 O CYS A 34 -17.318 -0.386 -11.605 1.00 2.06 O ATOM 530 CB CYS A 34 -14.459 -0.211 -13.194 1.00 1.79 C ATOM 531 SG CYS A 34 -13.478 -0.001 -14.699 1.00 1.82 S ATOM 0 H CYS A 34 -15.970 1.701 -13.688 1.00 2.10 H new ATOM 0 HA CYS A 34 -16.002 -1.033 -14.449 1.00 1.97 H new ATOM 0 HB2 CYS A 34 -14.344 0.659 -12.548 1.00 1.79 H new ATOM 0 HB3 CYS A 34 -14.102 -1.074 -12.632 1.00 1.79 H new ATOM 536 N PRO A 35 -16.561 -2.398 -12.268 1.00 2.03 N ATOM 537 CA PRO A 35 -17.229 -3.126 -11.173 1.00 2.12 C ATOM 538 C PRO A 35 -16.443 -3.073 -9.865 1.00 1.98 C ATOM 539 O PRO A 35 -17.012 -3.167 -8.778 1.00 2.08 O ATOM 540 CB PRO A 35 -17.282 -4.550 -11.714 1.00 2.27 C ATOM 541 CG PRO A 35 -16.165 -4.678 -12.744 1.00 2.22 C ATOM 542 CD PRO A 35 -15.785 -3.262 -13.189 1.00 2.06 C ATOM 0 HA PRO A 35 -18.202 -2.703 -10.922 1.00 2.12 H new ATOM 0 HB2 PRO A 35 -17.149 -5.273 -10.909 1.00 2.27 H new ATOM 0 HB3 PRO A 35 -18.251 -4.754 -12.169 1.00 2.27 H new ATOM 0 HG2 PRO A 35 -15.304 -5.189 -12.314 1.00 2.22 H new ATOM 0 HG3 PRO A 35 -16.495 -5.272 -13.596 1.00 2.22 H new ATOM 0 HD2 PRO A 35 -14.713 -3.086 -13.099 1.00 2.06 H new ATOM 0 HD3 PRO A 35 -16.052 -3.082 -14.230 1.00 2.06 H new ATOM 550 N GLN A 36 -15.128 -2.921 -9.984 1.00 1.80 N ATOM 551 CA GLN A 36 -14.269 -2.856 -8.804 1.00 1.69 C ATOM 552 C GLN A 36 -13.135 -1.857 -9.019 1.00 1.54 C ATOM 553 O GLN A 36 -12.405 -1.924 -10.009 1.00 1.55 O ATOM 554 CB GLN A 36 -13.671 -4.233 -8.491 1.00 1.77 C ATOM 555 CG GLN A 36 -13.060 -4.841 -9.761 1.00 1.97 C ATOM 556 CD GLN A 36 -11.751 -5.545 -9.415 1.00 2.66 C ATOM 557 OE1 GLN A 36 -10.696 -5.208 -9.954 1.00 3.13 O ATOM 558 NE2 GLN A 36 -11.756 -6.513 -8.540 1.00 3.28 N ATOM 0 H GLN A 36 -14.637 -2.841 -10.874 1.00 1.80 H new ATOM 0 HA GLN A 36 -14.884 -2.531 -7.964 1.00 1.69 H new ATOM 0 HB2 GLN A 36 -12.907 -4.140 -7.719 1.00 1.77 H new ATOM 0 HB3 GLN A 36 -14.444 -4.893 -8.097 1.00 1.77 H new ATOM 0 HG2 GLN A 36 -13.757 -5.549 -10.209 1.00 1.97 H new ATOM 0 HG3 GLN A 36 -12.880 -4.060 -10.500 1.00 1.97 H new ATOM 0 HE21 GLN A 36 -12.629 -6.792 -8.093 1.00 3.28 H new ATOM 0 HE22 GLN A 36 -10.886 -6.990 -8.303 1.00 3.28 H new ATOM 567 N LYS A 37 -12.996 -0.929 -8.076 1.00 1.47 N ATOM 568 CA LYS A 37 -11.947 0.083 -8.165 1.00 1.36 C ATOM 569 C LYS A 37 -10.581 -0.550 -7.918 1.00 1.24 C ATOM 570 O LYS A 37 -10.333 -1.132 -6.862 1.00 1.26 O ATOM 571 CB LYS A 37 -12.180 1.187 -7.128 1.00 1.41 C ATOM 572 CG LYS A 37 -12.327 0.568 -5.730 1.00 2.00 C ATOM 573 CD LYS A 37 -13.622 1.060 -5.075 1.00 2.27 C ATOM 574 CE LYS A 37 -13.431 2.494 -4.578 1.00 2.94 C ATOM 575 NZ LYS A 37 -14.757 3.163 -4.467 1.00 3.31 N ATOM 0 H LYS A 37 -13.590 -0.856 -7.250 1.00 1.47 H new ATOM 0 HA LYS A 37 -11.975 0.514 -9.166 1.00 1.36 H new ATOM 0 HB2 LYS A 37 -11.347 1.890 -7.138 1.00 1.41 H new ATOM 0 HB3 LYS A 37 -13.077 1.752 -7.381 1.00 1.41 H new ATOM 0 HG2 LYS A 37 -12.337 -0.519 -5.804 1.00 2.00 H new ATOM 0 HG3 LYS A 37 -11.471 0.838 -5.111 1.00 2.00 H new ATOM 0 HD2 LYS A 37 -14.443 1.019 -5.791 1.00 2.27 H new ATOM 0 HD3 LYS A 37 -13.891 0.409 -4.244 1.00 2.27 H new ATOM 0 HE2 LYS A 37 -12.931 2.491 -3.609 1.00 2.94 H new ATOM 0 HE3 LYS A 37 -12.790 3.046 -5.265 1.00 2.94 H new ATOM 0 HZ1 LYS A 37 -14.627 4.138 -4.129 1.00 3.31 H new ATOM 0 HZ2 LYS A 37 -15.217 3.178 -5.399 1.00 3.31 H new ATOM 0 HZ3 LYS A 37 -15.354 2.641 -3.795 1.00 3.31 H new ATOM 589 N ALA A 38 -9.700 -0.435 -8.907 1.00 1.19 N ATOM 590 CA ALA A 38 -8.361 -1.006 -8.788 1.00 1.12 C ATOM 591 C ALA A 38 -7.319 -0.067 -9.388 1.00 1.08 C ATOM 592 O ALA A 38 -7.642 1.018 -9.872 1.00 1.13 O ATOM 593 CB ALA A 38 -8.288 -2.351 -9.511 1.00 1.22 C ATOM 0 H ALA A 38 -9.885 0.042 -9.790 1.00 1.19 H new ATOM 0 HA ALA A 38 -8.153 -1.148 -7.727 1.00 1.12 H new ATOM 0 HB1 ALA A 38 -7.284 -2.763 -9.413 1.00 1.22 H new ATOM 0 HB2 ALA A 38 -9.008 -3.041 -9.070 1.00 1.22 H new ATOM 0 HB3 ALA A 38 -8.520 -2.210 -10.567 1.00 1.22 H new ATOM 599 N VAL A 39 -6.063 -0.503 -9.352 1.00 1.06 N ATOM 600 CA VAL A 39 -4.971 0.296 -9.898 1.00 1.05 C ATOM 601 C VAL A 39 -4.248 -0.480 -10.994 1.00 1.10 C ATOM 602 O VAL A 39 -4.309 -1.708 -11.053 1.00 1.14 O ATOM 603 CB VAL A 39 -3.962 0.666 -8.800 1.00 0.95 C ATOM 604 CG1 VAL A 39 -2.873 1.580 -9.373 1.00 0.89 C ATOM 605 CG2 VAL A 39 -4.687 1.396 -7.668 1.00 0.98 C ATOM 0 H VAL A 39 -5.778 -1.398 -8.954 1.00 1.06 H new ATOM 0 HA VAL A 39 -5.399 1.209 -10.312 1.00 1.05 H new ATOM 0 HB VAL A 39 -3.502 -0.246 -8.419 1.00 0.95 H new ATOM 0 HG11 VAL A 39 -2.163 1.837 -8.587 1.00 0.89 H new ATOM 0 HG12 VAL A 39 -2.351 1.064 -10.179 1.00 0.89 H new ATOM 0 HG13 VAL A 39 -3.329 2.491 -9.761 1.00 0.89 H new ATOM 0 HG21 VAL A 39 -3.972 1.659 -6.888 1.00 0.98 H new ATOM 0 HG22 VAL A 39 -5.149 2.303 -8.057 1.00 0.98 H new ATOM 0 HG23 VAL A 39 -5.457 0.747 -7.251 1.00 0.98 H new ATOM 615 N ILE A 40 -3.555 0.257 -11.852 1.00 1.16 N ATOM 616 CA ILE A 40 -2.806 -0.358 -12.943 1.00 1.25 C ATOM 617 C ILE A 40 -1.363 0.130 -12.911 1.00 1.21 C ATOM 618 O ILE A 40 -1.103 1.327 -12.802 1.00 1.20 O ATOM 619 CB ILE A 40 -3.422 -0.011 -14.302 1.00 1.40 C ATOM 620 CG1 ILE A 40 -4.940 -0.220 -14.256 1.00 1.45 C ATOM 621 CG2 ILE A 40 -2.822 -0.921 -15.375 1.00 1.53 C ATOM 622 CD1 ILE A 40 -5.565 0.269 -15.564 1.00 1.73 C ATOM 0 H ILE A 40 -3.495 1.275 -11.816 1.00 1.16 H new ATOM 0 HA ILE A 40 -2.841 -1.439 -12.811 1.00 1.25 H new ATOM 0 HB ILE A 40 -3.209 1.032 -14.537 1.00 1.40 H new ATOM 0 HG12 ILE A 40 -5.168 -1.275 -14.105 1.00 1.45 H new ATOM 0 HG13 ILE A 40 -5.367 0.322 -13.412 1.00 1.45 H new ATOM 0 HG21 ILE A 40 -3.258 -0.677 -16.344 1.00 1.53 H new ATOM 0 HG22 ILE A 40 -1.743 -0.774 -15.415 1.00 1.53 H new ATOM 0 HG23 ILE A 40 -3.037 -1.961 -15.132 1.00 1.53 H new ATOM 0 HD11 ILE A 40 -6.644 0.120 -15.530 1.00 1.73 H new ATOM 0 HD12 ILE A 40 -5.349 1.329 -15.696 1.00 1.73 H new ATOM 0 HD13 ILE A 40 -5.147 -0.293 -16.399 1.00 1.73 H new ATOM 634 N PHE A 41 -0.425 -0.806 -12.993 1.00 1.24 N ATOM 635 CA PHE A 41 0.989 -0.447 -12.958 1.00 1.23 C ATOM 636 C PHE A 41 1.653 -0.706 -14.304 1.00 1.38 C ATOM 637 O PHE A 41 1.273 -1.618 -15.039 1.00 1.49 O ATOM 638 CB PHE A 41 1.721 -1.259 -11.889 1.00 1.17 C ATOM 639 CG PHE A 41 1.402 -0.705 -10.523 1.00 1.03 C ATOM 640 CD1 PHE A 41 1.647 0.643 -10.239 1.00 1.01 C ATOM 641 CD2 PHE A 41 0.863 -1.541 -9.538 1.00 0.96 C ATOM 642 CE1 PHE A 41 1.353 1.157 -8.972 1.00 0.93 C ATOM 643 CE2 PHE A 41 0.569 -1.028 -8.270 1.00 0.87 C ATOM 644 CZ PHE A 41 0.813 0.321 -7.987 1.00 0.85 C ATOM 0 H PHE A 41 -0.612 -1.805 -13.083 1.00 1.24 H new ATOM 0 HA PHE A 41 1.050 0.616 -12.724 1.00 1.23 H new ATOM 0 HB2 PHE A 41 1.423 -2.306 -11.946 1.00 1.17 H new ATOM 0 HB3 PHE A 41 2.796 -1.224 -12.064 1.00 1.17 H new ATOM 0 HD1 PHE A 41 2.064 1.287 -10.999 1.00 1.01 H new ATOM 0 HD2 PHE A 41 0.674 -2.582 -9.757 1.00 0.96 H new ATOM 0 HE1 PHE A 41 1.542 2.198 -8.754 1.00 0.93 H new ATOM 0 HE2 PHE A 41 0.154 -1.673 -7.510 1.00 0.87 H new ATOM 0 HZ PHE A 41 0.585 0.717 -7.009 1.00 0.85 H new ATOM 654 N LYS A 42 2.664 0.102 -14.607 1.00 1.40 N ATOM 655 CA LYS A 42 3.400 -0.046 -15.856 1.00 1.55 C ATOM 656 C LYS A 42 4.887 -0.186 -15.560 1.00 1.55 C ATOM 657 O LYS A 42 5.434 0.501 -14.698 1.00 1.50 O ATOM 658 CB LYS A 42 3.175 1.162 -16.768 1.00 1.64 C ATOM 659 CG LYS A 42 3.875 0.942 -18.114 1.00 2.00 C ATOM 660 CD LYS A 42 3.142 1.721 -19.209 1.00 2.06 C ATOM 661 CE LYS A 42 3.832 3.071 -19.425 1.00 2.75 C ATOM 662 NZ LYS A 42 3.504 3.983 -18.293 1.00 2.95 N ATOM 0 H LYS A 42 2.990 0.861 -14.009 1.00 1.40 H new ATOM 0 HA LYS A 42 3.037 -0.939 -16.365 1.00 1.55 H new ATOM 0 HB2 LYS A 42 2.107 1.315 -16.925 1.00 1.64 H new ATOM 0 HB3 LYS A 42 3.560 2.064 -16.292 1.00 1.64 H new ATOM 0 HG2 LYS A 42 4.913 1.270 -18.053 1.00 2.00 H new ATOM 0 HG3 LYS A 42 3.890 -0.120 -18.358 1.00 2.00 H new ATOM 0 HD2 LYS A 42 3.139 1.149 -20.137 1.00 2.06 H new ATOM 0 HD3 LYS A 42 2.101 1.874 -18.926 1.00 2.06 H new ATOM 0 HE2 LYS A 42 4.911 2.933 -19.494 1.00 2.75 H new ATOM 0 HE3 LYS A 42 3.506 3.512 -20.367 1.00 2.75 H new ATOM 0 HZ1 LYS A 42 3.734 4.962 -18.558 1.00 2.95 H new ATOM 0 HZ2 LYS A 42 2.490 3.913 -18.074 1.00 2.95 H new ATOM 0 HZ3 LYS A 42 4.059 3.711 -17.456 1.00 2.95 H new ATOM 676 N THR A 43 5.529 -1.088 -16.286 1.00 1.64 N ATOM 677 CA THR A 43 6.956 -1.324 -16.096 1.00 1.67 C ATOM 678 C THR A 43 7.756 -0.679 -17.223 1.00 1.80 C ATOM 679 O THR A 43 7.211 0.052 -18.051 1.00 1.84 O ATOM 680 CB THR A 43 7.251 -2.826 -16.070 1.00 1.74 C ATOM 681 OG1 THR A 43 6.999 -3.379 -17.354 1.00 1.89 O ATOM 682 CG2 THR A 43 6.356 -3.508 -15.034 1.00 1.67 C ATOM 0 H THR A 43 5.092 -1.664 -17.005 1.00 1.64 H new ATOM 0 HA THR A 43 7.248 -0.881 -15.144 1.00 1.67 H new ATOM 0 HB THR A 43 8.296 -2.986 -15.804 1.00 1.74 H new ATOM 0 HG1 THR A 43 7.189 -4.340 -17.339 1.00 1.89 H new ATOM 0 HG21 THR A 43 6.568 -4.577 -15.017 1.00 1.67 H new ATOM 0 HG22 THR A 43 6.551 -3.084 -14.049 1.00 1.67 H new ATOM 0 HG23 THR A 43 5.310 -3.350 -15.296 1.00 1.67 H new ATOM 690 N LYS A 44 9.055 -0.959 -17.248 1.00 1.88 N ATOM 691 CA LYS A 44 9.926 -0.402 -18.281 1.00 2.01 C ATOM 692 C LYS A 44 9.818 -1.187 -19.595 1.00 2.17 C ATOM 693 O LYS A 44 10.436 -0.818 -20.594 1.00 2.32 O ATOM 694 CB LYS A 44 11.382 -0.421 -17.814 1.00 2.03 C ATOM 695 CG LYS A 44 12.194 0.586 -18.632 1.00 2.23 C ATOM 696 CD LYS A 44 12.237 1.928 -17.897 1.00 2.47 C ATOM 697 CE LYS A 44 13.504 2.005 -17.043 1.00 2.77 C ATOM 698 NZ LYS A 44 13.990 3.413 -17.003 1.00 3.19 N ATOM 0 H LYS A 44 9.526 -1.562 -16.573 1.00 1.88 H new ATOM 0 HA LYS A 44 9.602 0.624 -18.458 1.00 2.01 H new ATOM 0 HB2 LYS A 44 11.438 -0.174 -16.754 1.00 2.03 H new ATOM 0 HB3 LYS A 44 11.799 -1.421 -17.931 1.00 2.03 H new ATOM 0 HG2 LYS A 44 13.206 0.212 -18.787 1.00 2.23 H new ATOM 0 HG3 LYS A 44 11.747 0.714 -19.618 1.00 2.23 H new ATOM 0 HD2 LYS A 44 12.220 2.748 -18.615 1.00 2.47 H new ATOM 0 HD3 LYS A 44 11.354 2.037 -17.267 1.00 2.47 H new ATOM 0 HE2 LYS A 44 13.297 1.651 -16.033 1.00 2.77 H new ATOM 0 HE3 LYS A 44 14.275 1.354 -17.457 1.00 2.77 H new ATOM 0 HZ1 LYS A 44 14.851 3.467 -16.423 1.00 3.19 H new ATOM 0 HZ2 LYS A 44 14.203 3.734 -17.969 1.00 3.19 H new ATOM 0 HZ3 LYS A 44 13.256 4.022 -16.589 1.00 3.19 H new ATOM 712 N LEU A 45 9.036 -2.270 -19.596 1.00 2.17 N ATOM 713 CA LEU A 45 8.879 -3.076 -20.805 1.00 2.34 C ATOM 714 C LEU A 45 7.644 -2.647 -21.602 1.00 2.39 C ATOM 715 O LEU A 45 7.144 -3.399 -22.438 1.00 2.52 O ATOM 716 CB LEU A 45 8.741 -4.554 -20.440 1.00 2.37 C ATOM 717 CG LEU A 45 10.128 -5.196 -20.371 1.00 2.46 C ATOM 718 CD1 LEU A 45 10.117 -6.328 -19.342 1.00 2.44 C ATOM 719 CD2 LEU A 45 10.496 -5.762 -21.746 1.00 2.68 C ATOM 0 H LEU A 45 8.511 -2.603 -18.787 1.00 2.17 H new ATOM 0 HA LEU A 45 9.767 -2.924 -21.419 1.00 2.34 H new ATOM 0 HB2 LEU A 45 8.233 -4.656 -19.481 1.00 2.37 H new ATOM 0 HB3 LEU A 45 8.128 -5.067 -21.181 1.00 2.37 H new ATOM 0 HG LEU A 45 10.861 -4.445 -20.077 1.00 2.46 H new ATOM 0 HD11 LEU A 45 11.105 -6.785 -19.293 1.00 2.44 H new ATOM 0 HD12 LEU A 45 9.854 -5.927 -18.363 1.00 2.44 H new ATOM 0 HD13 LEU A 45 9.384 -7.079 -19.635 1.00 2.44 H new ATOM 0 HD21 LEU A 45 11.484 -6.220 -21.698 1.00 2.68 H new ATOM 0 HD22 LEU A 45 9.762 -6.513 -22.039 1.00 2.68 H new ATOM 0 HD23 LEU A 45 10.504 -4.957 -22.481 1.00 2.68 H new ATOM 731 N ALA A 46 7.157 -1.432 -21.342 1.00 2.31 N ATOM 732 CA ALA A 46 5.982 -0.925 -22.051 1.00 2.37 C ATOM 733 C ALA A 46 4.780 -1.843 -21.838 1.00 2.36 C ATOM 734 O ALA A 46 3.930 -1.990 -22.717 1.00 2.48 O ATOM 735 CB ALA A 46 6.268 -0.820 -23.550 1.00 2.57 C ATOM 0 H ALA A 46 7.552 -0.789 -20.656 1.00 2.31 H new ATOM 0 HA ALA A 46 5.754 0.063 -21.651 1.00 2.37 H new ATOM 0 HB1 ALA A 46 5.384 -0.441 -24.063 1.00 2.57 H new ATOM 0 HB2 ALA A 46 7.103 -0.139 -23.714 1.00 2.57 H new ATOM 0 HB3 ALA A 46 6.521 -1.805 -23.942 1.00 2.57 H new ATOM 741 N LYS A 47 4.719 -2.459 -20.662 1.00 2.22 N ATOM 742 CA LYS A 47 3.616 -3.363 -20.343 1.00 2.20 C ATOM 743 C LYS A 47 2.878 -2.886 -19.096 1.00 2.02 C ATOM 744 O LYS A 47 3.473 -2.310 -18.186 1.00 1.89 O ATOM 745 CB LYS A 47 4.136 -4.781 -20.101 1.00 2.26 C ATOM 746 CG LYS A 47 4.583 -5.394 -21.430 1.00 2.67 C ATOM 747 CD LYS A 47 3.354 -5.835 -22.228 1.00 2.87 C ATOM 748 CE LYS A 47 3.781 -6.237 -23.641 1.00 3.20 C ATOM 749 NZ LYS A 47 2.572 -6.383 -24.501 1.00 3.49 N ATOM 0 H LYS A 47 5.411 -2.352 -19.920 1.00 2.22 H new ATOM 0 HA LYS A 47 2.932 -3.368 -21.191 1.00 2.20 H new ATOM 0 HB2 LYS A 47 4.970 -4.759 -19.400 1.00 2.26 H new ATOM 0 HB3 LYS A 47 3.356 -5.394 -19.650 1.00 2.26 H new ATOM 0 HG2 LYS A 47 5.160 -4.667 -22.002 1.00 2.67 H new ATOM 0 HG3 LYS A 47 5.237 -6.247 -21.248 1.00 2.67 H new ATOM 0 HD2 LYS A 47 2.866 -6.674 -21.731 1.00 2.87 H new ATOM 0 HD3 LYS A 47 2.626 -5.025 -22.273 1.00 2.87 H new ATOM 0 HE2 LYS A 47 4.449 -5.484 -24.059 1.00 3.20 H new ATOM 0 HE3 LYS A 47 4.336 -7.175 -23.612 1.00 3.20 H new ATOM 0 HZ1 LYS A 47 2.861 -6.656 -25.462 1.00 3.49 H new ATOM 0 HZ2 LYS A 47 1.950 -7.116 -24.104 1.00 3.49 H new ATOM 0 HZ3 LYS A 47 2.060 -5.478 -24.537 1.00 3.49 H new ATOM 763 N ASP A 48 1.572 -3.134 -19.067 1.00 2.03 N ATOM 764 CA ASP A 48 0.753 -2.728 -17.928 1.00 1.88 C ATOM 765 C ASP A 48 0.237 -3.952 -17.179 1.00 1.86 C ATOM 766 O ASP A 48 0.115 -5.038 -17.745 1.00 2.00 O ATOM 767 CB ASP A 48 -0.439 -1.892 -18.398 1.00 1.92 C ATOM 768 CG ASP A 48 0.058 -0.727 -19.245 1.00 1.98 C ATOM 769 OD1 ASP A 48 0.734 0.130 -18.699 1.00 2.27 O ATOM 770 OD2 ASP A 48 -0.245 -0.706 -20.426 1.00 2.28 O ATOM 0 H ASP A 48 1.061 -3.609 -19.811 1.00 2.03 H new ATOM 0 HA ASP A 48 1.375 -2.131 -17.262 1.00 1.88 H new ATOM 0 HB2 ASP A 48 -1.124 -2.510 -18.978 1.00 1.92 H new ATOM 0 HB3 ASP A 48 -0.996 -1.519 -17.539 1.00 1.92 H new ATOM 775 N ILE A 49 -0.062 -3.763 -15.897 1.00 1.70 N ATOM 776 CA ILE A 49 -0.564 -4.859 -15.071 1.00 1.69 C ATOM 777 C ILE A 49 -1.633 -4.352 -14.108 1.00 1.56 C ATOM 778 O ILE A 49 -1.713 -3.158 -13.819 1.00 1.46 O ATOM 779 CB ILE A 49 0.576 -5.491 -14.268 1.00 1.66 C ATOM 780 CG1 ILE A 49 1.715 -5.876 -15.216 1.00 1.80 C ATOM 781 CG2 ILE A 49 0.067 -6.744 -13.549 1.00 1.71 C ATOM 782 CD1 ILE A 49 2.906 -6.388 -14.403 1.00 2.11 C ATOM 0 H ILE A 49 0.033 -2.871 -15.411 1.00 1.70 H new ATOM 0 HA ILE A 49 -0.998 -5.609 -15.732 1.00 1.69 H new ATOM 0 HB ILE A 49 0.940 -4.774 -13.532 1.00 1.66 H new ATOM 0 HG12 ILE A 49 1.379 -6.645 -15.912 1.00 1.80 H new ATOM 0 HG13 ILE A 49 2.012 -5.014 -15.813 1.00 1.80 H new ATOM 0 HG21 ILE A 49 0.881 -7.192 -12.978 1.00 1.71 H new ATOM 0 HG22 ILE A 49 -0.744 -6.472 -12.873 1.00 1.71 H new ATOM 0 HG23 ILE A 49 -0.299 -7.462 -14.283 1.00 1.71 H new ATOM 0 HD11 ILE A 49 3.717 -6.662 -15.078 1.00 2.11 H new ATOM 0 HD12 ILE A 49 3.247 -5.606 -13.725 1.00 2.11 H new ATOM 0 HD13 ILE A 49 2.604 -7.262 -13.826 1.00 2.11 H new ATOM 794 N CYS A 50 -2.452 -5.276 -13.615 1.00 1.60 N ATOM 795 CA CYS A 50 -3.515 -4.917 -12.680 1.00 1.51 C ATOM 796 C CYS A 50 -3.020 -5.040 -11.243 1.00 1.38 C ATOM 797 O CYS A 50 -2.298 -5.976 -10.898 1.00 1.44 O ATOM 798 CB CYS A 50 -4.728 -5.833 -12.866 1.00 1.63 C ATOM 799 SG CYS A 50 -5.281 -5.764 -14.588 1.00 1.82 S ATOM 0 H CYS A 50 -2.402 -6.269 -13.844 1.00 1.60 H new ATOM 0 HA CYS A 50 -3.805 -3.886 -12.882 1.00 1.51 H new ATOM 0 HB2 CYS A 50 -4.468 -6.857 -12.598 1.00 1.63 H new ATOM 0 HB3 CYS A 50 -5.535 -5.524 -12.201 1.00 1.63 H new ATOM 804 N ALA A 51 -3.416 -4.084 -10.408 1.00 1.23 N ATOM 805 CA ALA A 51 -3.004 -4.094 -9.007 1.00 1.13 C ATOM 806 C ALA A 51 -4.124 -3.575 -8.112 1.00 1.06 C ATOM 807 O ALA A 51 -4.868 -2.667 -8.484 1.00 1.05 O ATOM 808 CB ALA A 51 -1.764 -3.221 -8.808 1.00 1.03 C ATOM 0 H ALA A 51 -4.014 -3.301 -10.672 1.00 1.23 H new ATOM 0 HA ALA A 51 -2.773 -5.124 -8.735 1.00 1.13 H new ATOM 0 HB1 ALA A 51 -1.471 -3.240 -7.758 1.00 1.03 H new ATOM 0 HB2 ALA A 51 -0.947 -3.604 -9.420 1.00 1.03 H new ATOM 0 HB3 ALA A 51 -1.989 -2.196 -9.104 1.00 1.03 H new ATOM 814 N ASP A 52 -4.232 -4.160 -6.921 1.00 1.07 N ATOM 815 CA ASP A 52 -5.260 -3.750 -5.968 1.00 1.06 C ATOM 816 C ASP A 52 -4.720 -2.630 -5.068 1.00 0.96 C ATOM 817 O ASP A 52 -3.537 -2.625 -4.734 1.00 0.93 O ATOM 818 CB ASP A 52 -5.680 -4.938 -5.095 1.00 1.20 C ATOM 819 CG ASP A 52 -7.179 -4.870 -4.818 1.00 1.59 C ATOM 820 OD1 ASP A 52 -7.909 -4.470 -5.710 1.00 2.22 O ATOM 821 OD2 ASP A 52 -7.574 -5.218 -3.717 1.00 2.15 O ATOM 0 H ASP A 52 -3.626 -4.913 -6.595 1.00 1.07 H new ATOM 0 HA ASP A 52 -6.125 -3.389 -6.525 1.00 1.06 H new ATOM 0 HB2 ASP A 52 -5.435 -5.874 -5.597 1.00 1.20 H new ATOM 0 HB3 ASP A 52 -5.126 -4.925 -4.156 1.00 1.20 H new ATOM 826 N PRO A 53 -5.566 -1.665 -4.667 1.00 0.98 N ATOM 827 CA PRO A 53 -5.115 -0.551 -3.809 1.00 1.00 C ATOM 828 C PRO A 53 -4.996 -0.928 -2.328 1.00 1.09 C ATOM 829 O PRO A 53 -4.643 -0.092 -1.495 1.00 1.21 O ATOM 830 CB PRO A 53 -6.210 0.486 -4.018 1.00 1.10 C ATOM 831 CG PRO A 53 -7.459 -0.265 -4.467 1.00 1.13 C ATOM 832 CD PRO A 53 -7.003 -1.616 -5.025 1.00 1.07 C ATOM 0 HA PRO A 53 -4.112 -0.213 -4.071 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -6.401 1.035 -3.096 1.00 1.10 H new ATOM 0 HB3 PRO A 53 -5.910 1.217 -4.768 1.00 1.10 H new ATOM 0 HG2 PRO A 53 -8.144 -0.406 -3.631 1.00 1.13 H new ATOM 0 HG3 PRO A 53 -7.996 0.303 -5.227 1.00 1.13 H new ATOM 0 HD2 PRO A 53 -7.557 -2.443 -4.580 1.00 1.07 H new ATOM 0 HD3 PRO A 53 -7.151 -1.677 -6.103 1.00 1.07 H new ATOM 840 N LYS A 54 -5.286 -2.187 -2.003 1.00 1.09 N ATOM 841 CA LYS A 54 -5.195 -2.638 -0.616 1.00 1.23 C ATOM 842 C LYS A 54 -4.024 -3.605 -0.434 1.00 1.25 C ATOM 843 O LYS A 54 -4.019 -4.422 0.487 1.00 1.42 O ATOM 844 CB LYS A 54 -6.490 -3.341 -0.195 1.00 1.34 C ATOM 845 CG LYS A 54 -6.794 -4.500 -1.159 1.00 1.87 C ATOM 846 CD LYS A 54 -6.921 -5.814 -0.375 1.00 2.30 C ATOM 847 CE LYS A 54 -5.619 -6.615 -0.484 1.00 2.83 C ATOM 848 NZ LYS A 54 -5.216 -7.091 0.869 1.00 3.39 N ATOM 0 H LYS A 54 -5.581 -2.902 -2.668 1.00 1.09 H new ATOM 0 HA LYS A 54 -5.036 -1.759 0.008 1.00 1.23 H new ATOM 0 HB2 LYS A 54 -6.395 -3.719 0.823 1.00 1.34 H new ATOM 0 HB3 LYS A 54 -7.316 -2.630 -0.195 1.00 1.34 H new ATOM 0 HG2 LYS A 54 -7.718 -4.300 -1.702 1.00 1.87 H new ATOM 0 HG3 LYS A 54 -6.000 -4.585 -1.901 1.00 1.87 H new ATOM 0 HD2 LYS A 54 -7.142 -5.603 0.671 1.00 2.30 H new ATOM 0 HD3 LYS A 54 -7.753 -6.401 -0.764 1.00 2.30 H new ATOM 0 HE2 LYS A 54 -5.756 -7.464 -1.154 1.00 2.83 H new ATOM 0 HE3 LYS A 54 -4.832 -5.994 -0.913 1.00 2.83 H new ATOM 0 HZ1 LYS A 54 -4.668 -7.970 0.779 1.00 3.39 H new ATOM 0 HZ2 LYS A 54 -4.633 -6.365 1.333 1.00 3.39 H new ATOM 0 HZ3 LYS A 54 -6.066 -7.270 1.441 1.00 3.39 H new ATOM 862 N LYS A 55 -3.031 -3.508 -1.317 1.00 1.14 N ATOM 863 CA LYS A 55 -1.865 -4.384 -1.232 1.00 1.19 C ATOM 864 C LYS A 55 -0.694 -3.652 -0.582 1.00 1.18 C ATOM 865 O LYS A 55 -0.738 -2.438 -0.378 1.00 1.12 O ATOM 866 CB LYS A 55 -1.453 -4.864 -2.630 1.00 1.15 C ATOM 867 CG LYS A 55 -1.034 -6.340 -2.573 1.00 1.31 C ATOM 868 CD LYS A 55 -1.632 -7.092 -3.766 1.00 1.80 C ATOM 869 CE LYS A 55 -3.138 -7.269 -3.555 1.00 2.02 C ATOM 870 NZ LYS A 55 -3.695 -8.120 -4.644 1.00 2.31 N ATOM 0 H LYS A 55 -3.010 -2.841 -2.089 1.00 1.14 H new ATOM 0 HA LYS A 55 -2.132 -5.246 -0.621 1.00 1.19 H new ATOM 0 HB2 LYS A 55 -2.282 -4.739 -3.326 1.00 1.15 H new ATOM 0 HB3 LYS A 55 -0.629 -4.257 -3.004 1.00 1.15 H new ATOM 0 HG2 LYS A 55 0.053 -6.420 -2.588 1.00 1.31 H new ATOM 0 HG3 LYS A 55 -1.374 -6.789 -1.640 1.00 1.31 H new ATOM 0 HD2 LYS A 55 -1.445 -6.541 -4.688 1.00 1.80 H new ATOM 0 HD3 LYS A 55 -1.152 -8.065 -3.874 1.00 1.80 H new ATOM 0 HE2 LYS A 55 -3.329 -7.729 -2.586 1.00 2.02 H new ATOM 0 HE3 LYS A 55 -3.632 -6.297 -3.549 1.00 2.02 H new ATOM 0 HZ1 LYS A 55 -4.718 -8.241 -4.501 1.00 2.31 H new ATOM 0 HZ2 LYS A 55 -3.525 -7.663 -5.563 1.00 2.31 H new ATOM 0 HZ3 LYS A 55 -3.231 -9.051 -4.629 1.00 2.31 H new ATOM 884 N LYS A 56 0.353 -4.405 -0.254 1.00 1.29 N ATOM 885 CA LYS A 56 1.531 -3.823 0.378 1.00 1.34 C ATOM 886 C LYS A 56 2.464 -3.223 -0.667 1.00 1.24 C ATOM 887 O LYS A 56 2.930 -2.093 -0.526 1.00 1.23 O ATOM 888 CB LYS A 56 2.290 -4.882 1.177 1.00 1.51 C ATOM 889 CG LYS A 56 1.392 -5.422 2.292 1.00 2.15 C ATOM 890 CD LYS A 56 2.247 -5.782 3.509 1.00 2.42 C ATOM 891 CE LYS A 56 2.413 -4.549 4.399 1.00 3.16 C ATOM 892 NZ LYS A 56 1.298 -4.496 5.386 1.00 3.69 N ATOM 0 H LYS A 56 0.409 -5.411 -0.414 1.00 1.29 H new ATOM 0 HA LYS A 56 1.192 -3.035 1.051 1.00 1.34 H new ATOM 0 HB2 LYS A 56 2.601 -5.695 0.520 1.00 1.51 H new ATOM 0 HB3 LYS A 56 3.197 -4.451 1.602 1.00 1.51 H new ATOM 0 HG2 LYS A 56 0.647 -4.676 2.566 1.00 2.15 H new ATOM 0 HG3 LYS A 56 0.850 -6.301 1.943 1.00 2.15 H new ATOM 0 HD2 LYS A 56 1.777 -6.589 4.071 1.00 2.42 H new ATOM 0 HD3 LYS A 56 3.223 -6.145 3.187 1.00 2.42 H new ATOM 0 HE2 LYS A 56 3.371 -4.588 4.918 1.00 3.16 H new ATOM 0 HE3 LYS A 56 2.417 -3.645 3.790 1.00 3.16 H new ATOM 0 HZ1 LYS A 56 1.410 -3.658 5.992 1.00 3.69 H new ATOM 0 HZ2 LYS A 56 0.390 -4.440 4.882 1.00 3.69 H new ATOM 0 HZ3 LYS A 56 1.314 -5.353 5.975 1.00 3.69 H new ATOM 906 N TRP A 57 2.731 -3.991 -1.717 1.00 1.22 N ATOM 907 CA TRP A 57 3.611 -3.518 -2.777 1.00 1.16 C ATOM 908 C TRP A 57 2.892 -2.489 -3.645 1.00 1.02 C ATOM 909 O TRP A 57 3.519 -1.603 -4.225 1.00 0.98 O ATOM 910 CB TRP A 57 4.118 -4.676 -3.649 1.00 1.22 C ATOM 911 CG TRP A 57 2.973 -5.420 -4.259 1.00 1.22 C ATOM 912 CD1 TRP A 57 2.331 -6.463 -3.685 1.00 1.32 C ATOM 913 CD2 TRP A 57 2.341 -5.214 -5.555 1.00 1.16 C ATOM 914 NE1 TRP A 57 1.338 -6.904 -4.541 1.00 1.33 N ATOM 915 CE2 TRP A 57 1.305 -6.166 -5.708 1.00 1.24 C ATOM 916 CE3 TRP A 57 2.561 -4.300 -6.602 1.00 1.09 C ATOM 917 CZ2 TRP A 57 0.516 -6.211 -6.858 1.00 1.26 C ATOM 918 CZ3 TRP A 57 1.769 -4.342 -7.760 1.00 1.11 C ATOM 919 CH2 TRP A 57 0.748 -5.295 -7.888 1.00 1.20 C ATOM 0 H TRP A 57 2.357 -4.930 -1.856 1.00 1.22 H new ATOM 0 HA TRP A 57 4.474 -3.050 -2.304 1.00 1.16 H new ATOM 0 HB2 TRP A 57 4.766 -4.289 -4.435 1.00 1.22 H new ATOM 0 HB3 TRP A 57 4.719 -5.356 -3.046 1.00 1.22 H new ATOM 0 HD1 TRP A 57 2.557 -6.883 -2.716 1.00 1.32 H new ATOM 0 HE1 TRP A 57 0.708 -7.679 -4.336 1.00 1.33 H new ATOM 0 HE3 TRP A 57 3.344 -3.562 -6.514 1.00 1.09 H new ATOM 0 HZ2 TRP A 57 -0.268 -6.948 -6.952 1.00 1.26 H new ATOM 0 HZ3 TRP A 57 1.947 -3.636 -8.558 1.00 1.11 H new ATOM 0 HH2 TRP A 57 0.142 -5.321 -8.781 1.00 1.20 H new ATOM 930 N VAL A 58 1.565 -2.596 -3.711 1.00 0.97 N ATOM 931 CA VAL A 58 0.782 -1.645 -4.492 1.00 0.87 C ATOM 932 C VAL A 58 0.697 -0.325 -3.737 1.00 0.89 C ATOM 933 O VAL A 58 0.816 0.750 -4.322 1.00 0.88 O ATOM 934 CB VAL A 58 -0.637 -2.168 -4.747 1.00 0.86 C ATOM 935 CG1 VAL A 58 -1.406 -1.175 -5.632 1.00 0.81 C ATOM 936 CG2 VAL A 58 -0.560 -3.525 -5.450 1.00 0.93 C ATOM 0 H VAL A 58 1.020 -3.319 -3.241 1.00 0.97 H new ATOM 0 HA VAL A 58 1.276 -1.505 -5.454 1.00 0.87 H new ATOM 0 HB VAL A 58 -1.157 -2.278 -3.795 1.00 0.86 H new ATOM 0 HG11 VAL A 58 -2.413 -1.551 -5.810 1.00 0.81 H new ATOM 0 HG12 VAL A 58 -1.463 -0.209 -5.130 1.00 0.81 H new ATOM 0 HG13 VAL A 58 -0.888 -1.060 -6.584 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -1.568 -3.898 -5.632 1.00 0.93 H new ATOM 0 HG22 VAL A 58 -0.037 -3.413 -6.400 1.00 0.93 H new ATOM 0 HG23 VAL A 58 -0.020 -4.231 -4.819 1.00 0.93 H new ATOM 946 N GLN A 59 0.494 -0.424 -2.424 1.00 0.99 N ATOM 947 CA GLN A 59 0.399 0.767 -1.587 1.00 1.08 C ATOM 948 C GLN A 59 1.710 1.536 -1.639 1.00 1.13 C ATOM 949 O GLN A 59 1.732 2.750 -1.841 1.00 1.21 O ATOM 950 CB GLN A 59 0.092 0.390 -0.136 1.00 1.22 C ATOM 951 CG GLN A 59 -1.423 0.361 0.074 1.00 1.67 C ATOM 952 CD GLN A 59 -1.729 0.159 1.554 1.00 2.01 C ATOM 953 OE1 GLN A 59 -1.027 0.688 2.416 1.00 2.67 O ATOM 954 NE2 GLN A 59 -2.745 -0.581 1.903 1.00 2.31 N ATOM 0 H GLN A 59 0.393 -1.307 -1.923 1.00 0.99 H new ATOM 0 HA GLN A 59 -0.412 1.389 -1.967 1.00 1.08 H new ATOM 0 HB2 GLN A 59 0.521 -0.585 0.096 1.00 1.22 H new ATOM 0 HB3 GLN A 59 0.550 1.109 0.543 1.00 1.22 H new ATOM 0 HG2 GLN A 59 -1.867 1.293 -0.276 1.00 1.67 H new ATOM 0 HG3 GLN A 59 -1.867 -0.443 -0.513 1.00 1.67 H new ATOM 0 HE21 GLN A 59 -3.326 -1.019 1.188 1.00 2.31 H new ATOM 0 HE22 GLN A 59 -2.958 -0.722 2.891 1.00 2.31 H new ATOM 963 N ASP A 60 2.804 0.807 -1.481 1.00 1.13 N ATOM 964 CA ASP A 60 4.120 1.423 -1.543 1.00 1.20 C ATOM 965 C ASP A 60 4.378 1.913 -2.965 1.00 1.12 C ATOM 966 O ASP A 60 5.046 2.924 -3.181 1.00 1.20 O ATOM 967 CB ASP A 60 5.205 0.417 -1.144 1.00 1.26 C ATOM 968 CG ASP A 60 6.261 1.111 -0.287 1.00 1.41 C ATOM 969 OD1 ASP A 60 7.102 1.790 -0.852 1.00 1.87 O ATOM 970 OD2 ASP A 60 6.212 0.952 0.922 1.00 1.75 O ATOM 0 H ASP A 60 2.808 -0.199 -1.311 1.00 1.13 H new ATOM 0 HA ASP A 60 4.151 2.262 -0.848 1.00 1.20 H new ATOM 0 HB2 ASP A 60 4.761 -0.411 -0.591 1.00 1.26 H new ATOM 0 HB3 ASP A 60 5.667 -0.006 -2.036 1.00 1.26 H new ATOM 975 N SER A 61 3.828 1.178 -3.933 1.00 1.01 N ATOM 976 CA SER A 61 3.987 1.534 -5.336 1.00 0.96 C ATOM 977 C SER A 61 3.289 2.856 -5.633 1.00 0.98 C ATOM 978 O SER A 61 3.890 3.779 -6.184 1.00 1.05 O ATOM 979 CB SER A 61 3.399 0.447 -6.236 1.00 0.90 C ATOM 980 OG SER A 61 4.336 -0.615 -6.363 1.00 0.96 O ATOM 0 H SER A 61 3.273 0.338 -3.769 1.00 1.01 H new ATOM 0 HA SER A 61 5.054 1.633 -5.538 1.00 0.96 H new ATOM 0 HB2 SER A 61 2.465 0.075 -5.814 1.00 0.90 H new ATOM 0 HB3 SER A 61 3.164 0.859 -7.217 1.00 0.90 H new ATOM 0 HG SER A 61 4.125 -1.317 -5.713 1.00 0.96 H new ATOM 986 N MET A 62 2.011 2.941 -5.267 1.00 0.97 N ATOM 987 CA MET A 62 1.253 4.165 -5.509 1.00 1.03 C ATOM 988 C MET A 62 1.856 5.324 -4.721 1.00 1.17 C ATOM 989 O MET A 62 1.952 6.445 -5.218 1.00 1.25 O ATOM 990 CB MET A 62 -0.222 3.991 -5.121 1.00 1.03 C ATOM 991 CG MET A 62 -0.340 3.615 -3.642 1.00 1.58 C ATOM 992 SD MET A 62 -2.082 3.366 -3.221 1.00 1.92 S ATOM 993 CE MET A 62 -2.202 4.667 -1.969 1.00 1.85 C ATOM 0 H MET A 62 1.488 2.193 -4.811 1.00 0.97 H new ATOM 0 HA MET A 62 1.306 4.384 -6.575 1.00 1.03 H new ATOM 0 HB2 MET A 62 -0.767 4.915 -5.313 1.00 1.03 H new ATOM 0 HB3 MET A 62 -0.679 3.217 -5.738 1.00 1.03 H new ATOM 0 HG2 MET A 62 0.228 2.707 -3.440 1.00 1.58 H new ATOM 0 HG3 MET A 62 0.087 4.402 -3.020 1.00 1.58 H new ATOM 0 HE1 MET A 62 -3.215 4.692 -1.566 1.00 1.85 H new ATOM 0 HE2 MET A 62 -1.496 4.463 -1.164 1.00 1.85 H new ATOM 0 HE3 MET A 62 -1.967 5.630 -2.422 1.00 1.85 H new ATOM 1003 N LYS A 63 2.273 5.038 -3.492 1.00 1.24 N ATOM 1004 CA LYS A 63 2.882 6.061 -2.651 1.00 1.40 C ATOM 1005 C LYS A 63 4.241 6.447 -3.221 1.00 1.44 C ATOM 1006 O LYS A 63 4.648 7.608 -3.180 1.00 1.58 O ATOM 1007 CB LYS A 63 3.062 5.550 -1.221 1.00 1.47 C ATOM 1008 CG LYS A 63 3.155 6.737 -0.260 1.00 1.72 C ATOM 1009 CD LYS A 63 3.213 6.225 1.180 1.00 1.92 C ATOM 1010 CE LYS A 63 2.666 7.296 2.126 1.00 2.24 C ATOM 1011 NZ LYS A 63 3.170 7.043 3.506 1.00 2.73 N ATOM 0 H LYS A 63 2.202 4.117 -3.060 1.00 1.24 H new ATOM 0 HA LYS A 63 2.225 6.930 -2.633 1.00 1.40 H new ATOM 0 HB2 LYS A 63 2.224 4.910 -0.945 1.00 1.47 H new ATOM 0 HB3 LYS A 63 3.964 4.942 -1.152 1.00 1.47 H new ATOM 0 HG2 LYS A 63 4.042 7.330 -0.482 1.00 1.72 H new ATOM 0 HG3 LYS A 63 2.293 7.392 -0.390 1.00 1.72 H new ATOM 0 HD2 LYS A 63 2.630 5.309 1.275 1.00 1.92 H new ATOM 0 HD3 LYS A 63 4.240 5.978 1.448 1.00 1.92 H new ATOM 0 HE2 LYS A 63 2.975 8.286 1.790 1.00 2.24 H new ATOM 0 HE3 LYS A 63 1.576 7.282 2.117 1.00 2.24 H new ATOM 0 HZ1 LYS A 63 2.799 7.770 4.150 1.00 2.73 H new ATOM 0 HZ2 LYS A 63 2.854 6.105 3.824 1.00 2.73 H new ATOM 0 HZ3 LYS A 63 4.209 7.077 3.508 1.00 2.73 H new ATOM 1025 N TYR A 64 4.931 5.449 -3.763 1.00 1.34 N ATOM 1026 CA TYR A 64 6.243 5.664 -4.359 1.00 1.39 C ATOM 1027 C TYR A 64 6.117 6.608 -5.554 1.00 1.43 C ATOM 1028 O TYR A 64 6.818 7.616 -5.646 1.00 1.56 O ATOM 1029 CB TYR A 64 6.832 4.310 -4.802 1.00 1.30 C ATOM 1030 CG TYR A 64 8.107 4.499 -5.601 1.00 1.35 C ATOM 1031 CD1 TYR A 64 9.179 5.218 -5.063 1.00 1.54 C ATOM 1032 CD2 TYR A 64 8.206 3.948 -6.884 1.00 1.43 C ATOM 1033 CE1 TYR A 64 10.353 5.386 -5.809 1.00 1.59 C ATOM 1034 CE2 TYR A 64 9.376 4.115 -7.630 1.00 1.50 C ATOM 1035 CZ TYR A 64 10.451 4.835 -7.093 1.00 1.48 C ATOM 1036 OH TYR A 64 11.607 5.000 -7.829 1.00 1.57 O ATOM 0 H TYR A 64 4.603 4.484 -3.801 1.00 1.34 H new ATOM 0 HA TYR A 64 6.910 6.117 -3.626 1.00 1.39 H new ATOM 0 HB2 TYR A 64 7.037 3.696 -3.925 1.00 1.30 H new ATOM 0 HB3 TYR A 64 6.100 3.772 -5.404 1.00 1.30 H new ATOM 0 HD1 TYR A 64 9.102 5.643 -4.073 1.00 1.54 H new ATOM 0 HD2 TYR A 64 7.377 3.393 -7.298 1.00 1.43 H new ATOM 0 HE1 TYR A 64 11.182 5.940 -5.394 1.00 1.59 H new ATOM 0 HE2 TYR A 64 9.451 3.689 -8.620 1.00 1.50 H new ATOM 0 HH TYR A 64 11.509 4.555 -8.696 1.00 1.57 H new ATOM 1046 N LEU A 65 5.217 6.267 -6.465 1.00 1.34 N ATOM 1047 CA LEU A 65 5.004 7.087 -7.649 1.00 1.41 C ATOM 1048 C LEU A 65 4.439 8.442 -7.252 1.00 1.53 C ATOM 1049 O LEU A 65 4.857 9.483 -7.761 1.00 1.67 O ATOM 1050 CB LEU A 65 4.039 6.394 -8.609 1.00 1.32 C ATOM 1051 CG LEU A 65 4.790 5.297 -9.361 1.00 1.27 C ATOM 1052 CD1 LEU A 65 3.804 4.476 -10.191 1.00 1.21 C ATOM 1053 CD2 LEU A 65 5.825 5.938 -10.284 1.00 1.41 C ATOM 0 H LEU A 65 4.628 5.436 -6.409 1.00 1.34 H new ATOM 0 HA LEU A 65 5.963 7.228 -8.148 1.00 1.41 H new ATOM 0 HB2 LEU A 65 3.201 5.967 -8.058 1.00 1.32 H new ATOM 0 HB3 LEU A 65 3.623 7.116 -9.312 1.00 1.32 H new ATOM 0 HG LEU A 65 5.291 4.643 -8.647 1.00 1.27 H new ATOM 0 HD11 LEU A 65 4.342 3.694 -10.727 1.00 1.21 H new ATOM 0 HD12 LEU A 65 3.064 4.021 -9.532 1.00 1.21 H new ATOM 0 HD13 LEU A 65 3.301 5.126 -10.907 1.00 1.21 H new ATOM 0 HD21 LEU A 65 6.364 5.159 -10.823 1.00 1.41 H new ATOM 0 HD22 LEU A 65 5.322 6.591 -10.997 1.00 1.41 H new ATOM 0 HD23 LEU A 65 6.529 6.522 -9.691 1.00 1.41 H new ATOM 1065 N ASP A 66 3.489 8.414 -6.328 1.00 1.50 N ATOM 1066 CA ASP A 66 2.869 9.644 -5.851 1.00 1.63 C ATOM 1067 C ASP A 66 3.905 10.521 -5.154 1.00 1.79 C ATOM 1068 O ASP A 66 3.836 11.748 -5.207 1.00 1.95 O ATOM 1069 CB ASP A 66 1.739 9.333 -4.868 1.00 1.59 C ATOM 1070 CG ASP A 66 0.458 9.036 -5.641 1.00 1.51 C ATOM 1071 OD1 ASP A 66 -0.017 9.927 -6.325 1.00 1.79 O ATOM 1072 OD2 ASP A 66 -0.029 7.922 -5.536 1.00 1.88 O ATOM 0 H ASP A 66 3.132 7.561 -5.896 1.00 1.50 H new ATOM 0 HA ASP A 66 2.461 10.171 -6.713 1.00 1.63 H new ATOM 0 HB2 ASP A 66 2.008 8.478 -4.247 1.00 1.59 H new ATOM 0 HB3 ASP A 66 1.584 10.178 -4.197 1.00 1.59 H new ATOM 1077 N GLN A 67 4.868 9.873 -4.501 1.00 1.77 N ATOM 1078 CA GLN A 67 5.915 10.600 -3.796 1.00 1.93 C ATOM 1079 C GLN A 67 6.924 11.176 -4.783 1.00 1.94 C ATOM 1080 O GLN A 67 7.285 12.351 -4.713 1.00 1.94 O ATOM 1081 CB GLN A 67 6.645 9.676 -2.818 1.00 1.99 C ATOM 1082 CG GLN A 67 5.934 9.702 -1.463 1.00 2.39 C ATOM 1083 CD GLN A 67 6.956 9.517 -0.349 1.00 2.65 C ATOM 1084 OE1 GLN A 67 7.023 10.320 0.582 1.00 3.11 O ATOM 1085 NE2 GLN A 67 7.766 8.494 -0.385 1.00 3.00 N ATOM 0 H GLN A 67 4.943 8.857 -4.447 1.00 1.77 H new ATOM 0 HA GLN A 67 5.444 11.413 -3.244 1.00 1.93 H new ATOM 0 HB2 GLN A 67 6.667 8.659 -3.210 1.00 1.99 H new ATOM 0 HB3 GLN A 67 7.681 9.996 -2.703 1.00 1.99 H new ATOM 0 HG2 GLN A 67 5.408 10.648 -1.335 1.00 2.39 H new ATOM 0 HG3 GLN A 67 5.185 8.912 -1.418 1.00 2.39 H new ATOM 0 HE21 GLN A 67 7.712 7.828 -1.155 1.00 3.00 H new ATOM 0 HE22 GLN A 67 8.453 8.361 0.357 1.00 3.00 H new ATOM 1094 N LYS A 68 7.372 10.331 -5.704 1.00 2.05 N ATOM 1095 CA LYS A 68 8.343 10.755 -6.708 1.00 2.09 C ATOM 1096 C LYS A 68 7.733 11.806 -7.630 1.00 2.06 C ATOM 1097 O LYS A 68 8.420 12.711 -8.104 1.00 2.22 O ATOM 1098 CB LYS A 68 8.802 9.561 -7.548 1.00 2.32 C ATOM 1099 CG LYS A 68 10.253 9.769 -7.983 1.00 2.71 C ATOM 1100 CD LYS A 68 11.193 9.218 -6.908 1.00 3.04 C ATOM 1101 CE LYS A 68 12.521 9.975 -6.953 1.00 3.75 C ATOM 1102 NZ LYS A 68 13.466 9.267 -7.863 1.00 4.18 N ATOM 0 H LYS A 68 7.082 9.356 -5.777 1.00 2.05 H new ATOM 0 HA LYS A 68 9.200 11.182 -6.187 1.00 2.09 H new ATOM 0 HB2 LYS A 68 8.713 8.641 -6.970 1.00 2.32 H new ATOM 0 HB3 LYS A 68 8.161 9.451 -8.423 1.00 2.32 H new ATOM 0 HG2 LYS A 68 10.435 9.266 -8.933 1.00 2.71 H new ATOM 0 HG3 LYS A 68 10.447 10.830 -8.142 1.00 2.71 H new ATOM 0 HD2 LYS A 68 10.737 9.321 -5.924 1.00 3.04 H new ATOM 0 HD3 LYS A 68 11.364 8.154 -7.070 1.00 3.04 H new ATOM 0 HE2 LYS A 68 12.359 10.995 -7.302 1.00 3.75 H new ATOM 0 HE3 LYS A 68 12.946 10.044 -5.952 1.00 3.75 H new ATOM 0 HZ1 LYS A 68 14.369 9.781 -7.894 1.00 4.18 H new ATOM 0 HZ2 LYS A 68 13.629 8.302 -7.511 1.00 4.18 H new ATOM 0 HZ3 LYS A 68 13.060 9.223 -8.819 1.00 4.18 H new ATOM 1116 N SER A 69 6.433 11.675 -7.879 1.00 2.09 N ATOM 1117 CA SER A 69 5.736 12.619 -8.748 1.00 2.28 C ATOM 1118 C SER A 69 5.290 13.851 -7.953 1.00 2.32 C ATOM 1119 O SER A 69 5.024 13.756 -6.755 1.00 2.61 O ATOM 1120 CB SER A 69 4.506 11.960 -9.375 1.00 2.57 C ATOM 1121 OG SER A 69 4.251 12.553 -10.642 1.00 2.77 O ATOM 0 H SER A 69 5.846 10.933 -7.497 1.00 2.09 H new ATOM 0 HA SER A 69 6.426 12.924 -9.535 1.00 2.28 H new ATOM 0 HB2 SER A 69 4.671 10.889 -9.488 1.00 2.57 H new ATOM 0 HB3 SER A 69 3.641 12.082 -8.723 1.00 2.57 H new ATOM 0 HG SER A 69 3.464 12.132 -11.048 1.00 2.77 H new ATOM 1127 N PRO A 70 5.203 15.025 -8.603 1.00 2.69 N ATOM 1128 CA PRO A 70 4.784 16.264 -7.921 1.00 3.05 C ATOM 1129 C PRO A 70 3.264 16.387 -7.811 1.00 3.18 C ATOM 1130 O PRO A 70 2.670 17.358 -8.279 1.00 3.67 O ATOM 1131 CB PRO A 70 5.351 17.344 -8.834 1.00 3.88 C ATOM 1132 CG PRO A 70 5.512 16.724 -10.219 1.00 4.16 C ATOM 1133 CD PRO A 70 5.510 15.201 -10.042 1.00 3.37 C ATOM 0 HA PRO A 70 5.136 16.317 -6.891 1.00 3.05 H new ATOM 0 HB2 PRO A 70 4.683 18.205 -8.873 1.00 3.88 H new ATOM 0 HB3 PRO A 70 6.310 17.701 -8.458 1.00 3.88 H new ATOM 0 HG2 PRO A 70 4.700 17.035 -10.876 1.00 4.16 H new ATOM 0 HG3 PRO A 70 6.441 17.055 -10.682 1.00 4.16 H new ATOM 0 HD2 PRO A 70 4.761 14.724 -10.674 1.00 3.37 H new ATOM 0 HD3 PRO A 70 6.474 14.764 -10.304 1.00 3.37 H new ATOM 1141 N THR A 71 2.645 15.385 -7.185 1.00 3.48 N ATOM 1142 CA THR A 71 1.187 15.370 -7.005 1.00 4.29 C ATOM 1143 C THR A 71 0.461 15.618 -8.336 1.00 5.01 C ATOM 1144 O THR A 71 0.146 16.760 -8.671 1.00 5.40 O ATOM 1145 CB THR A 71 0.755 16.433 -5.989 1.00 4.74 C ATOM 1146 OG1 THR A 71 0.959 17.729 -6.535 1.00 5.01 O ATOM 1147 CG2 THR A 71 1.577 16.284 -4.708 1.00 5.27 C ATOM 0 H THR A 71 3.126 14.575 -6.794 1.00 3.48 H new ATOM 0 HA THR A 71 0.915 14.382 -6.633 1.00 4.29 H new ATOM 0 HB THR A 71 -0.302 16.300 -5.759 1.00 4.74 H new ATOM 0 HG1 THR A 71 1.154 17.654 -7.492 1.00 5.01 H new ATOM 0 HG21 THR A 71 1.268 17.041 -3.987 1.00 5.27 H new ATOM 0 HG22 THR A 71 1.415 15.293 -4.285 1.00 5.27 H new ATOM 0 HG23 THR A 71 2.635 16.412 -4.938 1.00 5.27 H new ATOM 1155 N PRO A 72 0.186 14.556 -9.114 1.00 5.63 N ATOM 1156 CA PRO A 72 -0.507 14.699 -10.409 1.00 6.67 C ATOM 1157 C PRO A 72 -2.022 14.805 -10.255 1.00 7.41 C ATOM 1158 O PRO A 72 -2.578 14.498 -9.200 1.00 7.87 O ATOM 1159 CB PRO A 72 -0.125 13.409 -11.125 1.00 7.26 C ATOM 1160 CG PRO A 72 0.227 12.387 -10.050 1.00 6.87 C ATOM 1161 CD PRO A 72 0.540 13.160 -8.765 1.00 5.76 C ATOM 0 HA PRO A 72 -0.224 15.609 -10.938 1.00 6.67 H new ATOM 0 HB2 PRO A 72 -0.950 13.051 -11.741 1.00 7.26 H new ATOM 0 HB3 PRO A 72 0.722 13.574 -11.791 1.00 7.26 H new ATOM 0 HG2 PRO A 72 -0.602 11.697 -9.890 1.00 6.87 H new ATOM 0 HG3 PRO A 72 1.085 11.789 -10.356 1.00 6.87 H new ATOM 0 HD2 PRO A 72 -0.047 12.795 -7.922 1.00 5.76 H new ATOM 0 HD3 PRO A 72 1.590 13.069 -8.486 1.00 5.76 H new ATOM 1169 N LYS A 73 -2.683 15.245 -11.323 1.00 7.81 N ATOM 1170 CA LYS A 73 -4.135 15.390 -11.302 1.00 8.76 C ATOM 1171 C LYS A 73 -4.813 14.019 -11.414 1.00 9.13 C ATOM 1172 O LYS A 73 -4.168 13.034 -11.773 1.00 9.30 O ATOM 1173 CB LYS A 73 -4.602 16.273 -12.461 1.00 9.36 C ATOM 1174 CG LYS A 73 -4.641 17.734 -12.008 1.00 9.82 C ATOM 1175 CD LYS A 73 -3.213 18.250 -11.827 1.00 10.66 C ATOM 1176 CE LYS A 73 -3.235 19.772 -11.676 1.00 11.15 C ATOM 1177 NZ LYS A 73 -3.036 20.406 -13.010 1.00 11.77 N ATOM 0 H LYS A 73 -2.241 15.505 -12.205 1.00 7.81 H new ATOM 0 HA LYS A 73 -4.412 15.856 -10.356 1.00 8.76 H new ATOM 0 HB2 LYS A 73 -3.928 16.163 -13.310 1.00 9.36 H new ATOM 0 HB3 LYS A 73 -5.591 15.959 -12.796 1.00 9.36 H new ATOM 0 HG2 LYS A 73 -5.167 18.340 -12.745 1.00 9.82 H new ATOM 0 HG3 LYS A 73 -5.192 17.821 -11.071 1.00 9.82 H new ATOM 0 HD2 LYS A 73 -2.759 17.793 -10.948 1.00 10.66 H new ATOM 0 HD3 LYS A 73 -2.602 17.968 -12.684 1.00 10.66 H new ATOM 0 HE2 LYS A 73 -4.185 20.092 -11.247 1.00 11.15 H new ATOM 0 HE3 LYS A 73 -2.451 20.091 -10.989 1.00 11.15 H new ATOM 0 HZ1 LYS A 73 -3.051 21.441 -12.908 1.00 11.77 H new ATOM 0 HZ2 LYS A 73 -2.119 20.110 -13.402 1.00 11.77 H new ATOM 0 HZ3 LYS A 73 -3.799 20.110 -13.652 1.00 11.77 H new ATOM 1191 N PRO A 74 -6.120 13.934 -11.111 1.00 9.55 N ATOM 1192 CA PRO A 74 -6.856 12.660 -11.190 1.00 10.20 C ATOM 1193 C PRO A 74 -7.312 12.333 -12.611 1.00 10.72 C ATOM 1194 O PRO A 74 -8.001 11.340 -12.777 1.00 11.10 O ATOM 1195 CB PRO A 74 -8.053 12.920 -10.285 1.00 10.64 C ATOM 1196 CG PRO A 74 -8.256 14.430 -10.233 1.00 10.42 C ATOM 1197 CD PRO A 74 -6.945 15.086 -10.675 1.00 9.69 C ATOM 1198 OXT PRO A 74 -6.964 13.081 -13.510 1.00 10.91 O ATOM 0 HA PRO A 74 -6.247 11.805 -10.896 1.00 10.20 H new ATOM 0 HB2 PRO A 74 -8.943 12.425 -10.672 1.00 10.64 H new ATOM 0 HB3 PRO A 74 -7.875 12.521 -9.287 1.00 10.64 H new ATOM 0 HG2 PRO A 74 -9.074 14.730 -10.888 1.00 10.42 H new ATOM 0 HG3 PRO A 74 -8.522 14.747 -9.225 1.00 10.42 H new ATOM 0 HD2 PRO A 74 -7.104 15.797 -11.486 1.00 9.69 H new ATOM 0 HD3 PRO A 74 -6.473 15.633 -9.859 1.00 9.69 H new TER 1206 PRO A 74