USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 798 hydrogens (2 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 54 SER OG : rot -43:sc= 0.247 USER MOD Set 1.2: A 56 THR OG1 : rot 59:sc= 0.539 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -165:sc= -0.0178 (180deg=-0.324) USER MOD Set 2.2: A 18 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0105) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 5 ASN : amide:sc= -0.0364 K(o=-0.036,f=-1.7!) USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -0.507 (180deg=-1.19) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= -0.354 (180deg=-1.46!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -6.18! C(o=-6.2!,f=-2.9!) USER MOD Single : A 19 SER OG : rot -128:sc= 0.391 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 30 SER OG : rot -36:sc= 0.797 USER MOD Single : A 37 ASN : amide:sc= -0.436 K(o=-0.44,f=-2.1!) USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0322) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 131:sc= -0.0812 (180deg=-0.567) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 22:sc= 0.149 USER MOD Single : A 61 HIS : no HE2:sc= -3.76! C(o=-3.8!,f=-6.4!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 70 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.83) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.28) USER MOD Single : A 83 ASN : amide:sc= -0.722 K(o=-0.72,f=-3.4) USER MOD Single : A 87 ASN : amide:sc= -2.53! C(o=-2.5!,f=-3.5!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 146:sc= -0.267 (180deg=-1.42!) USER MOD Single : A 94 ASN : amide:sc= -0.0544 K(o=-0.054,f=-1.9!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.635 8.449 -15.347 1.00 0.00 N ATOM 2 CA ALA A 2 -7.238 8.353 -13.990 1.00 0.00 C ATOM 3 C ALA A 2 -8.117 7.110 -13.913 1.00 0.00 C ATOM 4 O ALA A 2 -8.133 6.410 -12.900 1.00 0.00 O ATOM 5 CB ALA A 2 -8.077 9.606 -13.717 1.00 0.00 C ATOM 0 HA ALA A 2 -6.450 8.280 -13.241 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.520 9.538 -12.723 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.440 10.489 -13.771 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.868 9.683 -14.462 1.00 0.00 H new ATOM 13 N LEU A 3 -8.849 6.844 -14.987 1.00 0.00 N ATOM 14 CA LEU A 3 -9.733 5.687 -15.032 1.00 0.00 C ATOM 15 C LEU A 3 -8.934 4.397 -14.918 1.00 0.00 C ATOM 16 O LEU A 3 -9.335 3.465 -14.223 1.00 0.00 O ATOM 17 CB LEU A 3 -10.531 5.696 -16.343 1.00 0.00 C ATOM 18 CG LEU A 3 -11.714 6.671 -16.223 1.00 0.00 C ATOM 19 CD1 LEU A 3 -12.773 6.134 -15.228 1.00 0.00 C ATOM 20 CD2 LEU A 3 -11.192 8.037 -15.744 1.00 0.00 C ATOM 0 H LEU A 3 -8.848 7.411 -15.835 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.422 5.741 -14.189 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.886 5.992 -17.170 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.895 4.693 -16.565 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.188 6.775 -17.199 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.600 6.841 -15.160 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.146 5.172 -15.578 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.319 6.011 -14.245 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.025 8.734 -15.656 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.711 7.922 -14.773 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.470 8.423 -16.463 1.00 0.00 H new ATOM 32 N GLN A 4 -7.801 4.349 -15.606 1.00 0.00 N ATOM 33 CA GLN A 4 -6.946 3.169 -15.583 1.00 0.00 C ATOM 34 C GLN A 4 -5.481 3.574 -15.530 1.00 0.00 C ATOM 35 O GLN A 4 -5.106 4.646 -16.003 1.00 0.00 O ATOM 36 CB GLN A 4 -7.203 2.319 -16.830 1.00 0.00 C ATOM 37 CG GLN A 4 -7.069 3.190 -18.079 1.00 0.00 C ATOM 38 CD GLN A 4 -7.427 2.379 -19.320 1.00 0.00 C ATOM 39 OE1 GLN A 4 -8.403 1.626 -19.311 1.00 0.00 O ATOM 40 NE2 GLN A 4 -6.692 2.484 -20.392 1.00 0.00 N ATOM 0 H GLN A 4 -7.453 5.112 -16.186 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.180 2.586 -14.692 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.493 1.493 -16.872 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.200 1.881 -16.785 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.724 4.057 -18.000 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.050 3.567 -18.162 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.885 3.108 -20.398 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.924 1.943 -21.225 1.00 0.00 H new ATOM 49 N ASN A 5 -4.659 2.711 -14.946 1.00 0.00 N ATOM 50 CA ASN A 5 -3.230 2.984 -14.830 1.00 0.00 C ATOM 51 C ASN A 5 -2.509 2.569 -16.105 1.00 0.00 C ATOM 52 O ASN A 5 -3.127 2.070 -17.045 1.00 0.00 O ATOM 53 CB ASN A 5 -2.648 2.222 -13.639 1.00 0.00 C ATOM 54 CG ASN A 5 -3.185 2.805 -12.337 1.00 0.00 C ATOM 55 OD1 ASN A 5 -3.555 3.979 -12.286 1.00 0.00 O ATOM 56 ND2 ASN A 5 -3.256 2.049 -11.276 1.00 0.00 N ATOM 0 H ASN A 5 -4.954 1.820 -14.547 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.091 4.054 -14.676 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.909 1.166 -13.709 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.560 2.283 -13.654 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.618 2.430 -10.402 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.949 1.077 -11.321 1.00 0.00 H new ATOM 63 N LYS A 6 -1.197 2.777 -16.133 1.00 0.00 N ATOM 64 CA LYS A 6 -0.393 2.420 -17.300 1.00 0.00 C ATOM 65 C LYS A 6 0.159 1.005 -17.161 1.00 0.00 C ATOM 66 O LYS A 6 0.911 0.535 -18.014 1.00 0.00 O ATOM 67 CB LYS A 6 0.764 3.404 -17.455 1.00 0.00 C ATOM 68 CG LYS A 6 0.210 4.808 -17.709 1.00 0.00 C ATOM 69 CD LYS A 6 1.356 5.747 -18.105 1.00 0.00 C ATOM 70 CE LYS A 6 2.380 5.835 -16.970 1.00 0.00 C ATOM 71 NZ LYS A 6 1.671 5.919 -15.664 1.00 0.00 N ATOM 0 H LYS A 6 -0.668 3.189 -15.365 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.031 2.464 -18.183 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.380 3.402 -16.556 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.406 3.100 -18.282 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.539 4.777 -18.500 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.287 5.182 -16.814 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.838 5.383 -19.012 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.963 6.739 -18.329 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.032 4.961 -16.986 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.016 6.710 -17.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.312 6.311 -14.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.840 6.536 -15.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.365 4.969 -15.373 1.00 0.00 H new ATOM 85 N GLU A 7 -0.222 0.331 -16.081 1.00 0.00 N ATOM 86 CA GLU A 7 0.240 -1.032 -15.841 1.00 0.00 C ATOM 87 C GLU A 7 -0.170 -1.948 -16.991 1.00 0.00 C ATOM 88 O GLU A 7 0.442 -2.991 -17.216 1.00 0.00 O ATOM 89 CB GLU A 7 -0.348 -1.557 -14.529 1.00 0.00 C ATOM 90 CG GLU A 7 -1.874 -1.635 -14.645 1.00 0.00 C ATOM 91 CD GLU A 7 -2.481 -1.998 -13.294 1.00 0.00 C ATOM 92 OE1 GLU A 7 -1.834 -2.717 -12.550 1.00 0.00 O ATOM 93 OE2 GLU A 7 -3.581 -1.547 -13.021 1.00 0.00 O ATOM 0 H GLU A 7 -0.844 0.702 -15.363 1.00 0.00 H new ATOM 0 HA GLU A 7 1.328 -1.022 -15.773 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.061 -2.542 -14.304 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.069 -0.900 -13.705 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.271 -0.679 -14.986 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.153 -2.380 -15.390 1.00 0.00 H new ATOM 100 N GLU A 8 -1.211 -1.548 -17.714 1.00 0.00 N ATOM 101 CA GLU A 8 -1.697 -2.339 -18.839 1.00 0.00 C ATOM 102 C GLU A 8 -0.645 -2.404 -19.942 1.00 0.00 C ATOM 103 O GLU A 8 -0.512 -3.419 -20.627 1.00 0.00 O ATOM 104 CB GLU A 8 -2.984 -1.724 -19.392 1.00 0.00 C ATOM 105 CG GLU A 8 -2.706 -0.296 -19.869 1.00 0.00 C ATOM 106 CD GLU A 8 -4.004 0.365 -20.317 1.00 0.00 C ATOM 107 OE1 GLU A 8 -5.006 0.171 -19.648 1.00 0.00 O ATOM 108 OE2 GLU A 8 -3.976 1.058 -21.320 1.00 0.00 O ATOM 0 H GLU A 8 -1.731 -0.687 -17.543 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.901 -3.351 -18.488 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.362 -2.327 -20.218 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.756 -1.718 -18.623 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.252 0.283 -19.065 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.993 -0.311 -20.693 1.00 0.00 H new ATOM 115 N GLU A 9 0.099 -1.318 -20.106 1.00 0.00 N ATOM 116 CA GLU A 9 1.134 -1.263 -21.131 1.00 0.00 C ATOM 117 C GLU A 9 2.194 -2.328 -20.874 1.00 0.00 C ATOM 118 O GLU A 9 2.705 -2.946 -21.809 1.00 0.00 O ATOM 119 CB GLU A 9 1.788 0.122 -21.140 1.00 0.00 C ATOM 120 CG GLU A 9 2.810 0.202 -22.278 1.00 0.00 C ATOM 121 CD GLU A 9 3.412 1.601 -22.342 1.00 0.00 C ATOM 122 OE1 GLU A 9 2.849 2.495 -21.733 1.00 0.00 O ATOM 123 OE2 GLU A 9 4.427 1.756 -23.001 1.00 0.00 O ATOM 0 H GLU A 9 0.007 -0.469 -19.548 1.00 0.00 H new ATOM 0 HA GLU A 9 0.672 -1.451 -22.100 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.028 0.893 -21.266 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.278 0.310 -20.184 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.598 -0.535 -22.122 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.330 -0.040 -23.226 1.00 0.00 H new ATOM 130 N LYS A 10 2.525 -2.537 -19.604 1.00 0.00 N ATOM 131 CA LYS A 10 3.529 -3.531 -19.236 1.00 0.00 C ATOM 132 C LYS A 10 2.892 -4.907 -19.097 1.00 0.00 C ATOM 133 O LYS A 10 2.187 -5.184 -18.126 1.00 0.00 O ATOM 134 CB LYS A 10 4.182 -3.136 -17.910 1.00 0.00 C ATOM 135 CG LYS A 10 4.739 -1.710 -18.007 1.00 0.00 C ATOM 136 CD LYS A 10 5.897 -1.659 -19.010 1.00 0.00 C ATOM 137 CE LYS A 10 6.697 -0.375 -18.805 1.00 0.00 C ATOM 138 NZ LYS A 10 7.851 -0.363 -19.746 1.00 0.00 N ATOM 0 H LYS A 10 2.116 -2.035 -18.816 1.00 0.00 H new ATOM 0 HA LYS A 10 4.284 -3.570 -20.021 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.452 -3.197 -17.103 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.984 -3.833 -17.668 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.950 -1.024 -18.317 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.083 -1.379 -17.027 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.543 -2.527 -18.879 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.511 -1.700 -20.029 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.063 0.495 -18.977 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.051 -0.313 -17.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.400 0.510 -19.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.459 -1.186 -19.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.501 -0.404 -20.725 1.00 0.00 H new ATOM 152 N LYS A 11 3.151 -5.768 -20.074 1.00 0.00 N ATOM 153 CA LYS A 11 2.604 -7.117 -20.051 1.00 0.00 C ATOM 154 C LYS A 11 3.168 -7.909 -18.879 1.00 0.00 C ATOM 155 O LYS A 11 2.450 -8.664 -18.227 1.00 0.00 O ATOM 156 CB LYS A 11 2.933 -7.838 -21.353 1.00 0.00 C ATOM 157 CG LYS A 11 2.133 -7.213 -22.501 1.00 0.00 C ATOM 158 CD LYS A 11 2.354 -8.012 -23.794 1.00 0.00 C ATOM 159 CE LYS A 11 3.712 -7.660 -24.412 1.00 0.00 C ATOM 160 NZ LYS A 11 3.804 -6.185 -24.597 1.00 0.00 N ATOM 0 H LYS A 11 3.732 -5.558 -20.886 1.00 0.00 H new ATOM 0 HA LYS A 11 1.522 -7.042 -19.938 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.001 -7.768 -21.560 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.694 -8.898 -21.264 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.072 -7.199 -22.250 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.440 -6.177 -22.647 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.310 -9.080 -23.581 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.556 -7.795 -24.504 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.519 -8.008 -23.767 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.830 -8.166 -25.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.341 -5.977 -25.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.847 -5.785 -24.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.288 -5.762 -23.779 1.00 0.00 H new ATOM 174 N LYS A 12 4.459 -7.736 -18.622 1.00 0.00 N ATOM 175 CA LYS A 12 5.107 -8.448 -17.529 1.00 0.00 C ATOM 176 C LYS A 12 4.399 -8.161 -16.212 1.00 0.00 C ATOM 177 O LYS A 12 4.214 -7.004 -15.836 1.00 0.00 O ATOM 178 CB LYS A 12 6.564 -8.010 -17.427 1.00 0.00 C ATOM 179 CG LYS A 12 7.332 -8.982 -16.523 1.00 0.00 C ATOM 180 CD LYS A 12 8.817 -8.591 -16.468 1.00 0.00 C ATOM 181 CE LYS A 12 9.542 -9.061 -17.737 1.00 0.00 C ATOM 182 NZ LYS A 12 11.007 -8.869 -17.570 1.00 0.00 N ATOM 0 H LYS A 12 5.072 -7.115 -19.150 1.00 0.00 H new ATOM 0 HA LYS A 12 5.056 -9.518 -17.730 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.017 -7.985 -18.418 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.623 -6.999 -17.024 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.907 -8.970 -15.519 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.230 -10.000 -16.900 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.911 -7.510 -16.367 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.284 -9.035 -15.589 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.321 -10.111 -17.927 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.187 -8.499 -18.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.499 -9.187 -18.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.209 -7.862 -17.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.339 -9.424 -16.755 1.00 0.00 H new ATOM 196 N VAL A 13 4.009 -9.222 -15.515 1.00 0.00 N ATOM 197 CA VAL A 13 3.321 -9.073 -14.240 1.00 0.00 C ATOM 198 C VAL A 13 4.240 -8.430 -13.205 1.00 0.00 C ATOM 199 O VAL A 13 3.830 -7.532 -12.471 1.00 0.00 O ATOM 200 CB VAL A 13 2.854 -10.441 -13.735 1.00 0.00 C ATOM 201 CG1 VAL A 13 2.253 -10.298 -12.334 1.00 0.00 C ATOM 202 CG2 VAL A 13 1.792 -10.999 -14.687 1.00 0.00 C ATOM 0 H VAL A 13 4.156 -10.188 -15.809 1.00 0.00 H new ATOM 0 HA VAL A 13 2.456 -8.427 -14.389 1.00 0.00 H new ATOM 0 HB VAL A 13 3.706 -11.120 -13.695 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.922 -11.274 -11.979 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.006 -9.900 -11.654 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.402 -9.618 -12.371 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.458 -11.973 -14.329 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.943 -10.316 -14.726 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.218 -11.105 -15.685 1.00 0.00 H new ATOM 212 N LYS A 14 5.482 -8.901 -13.152 1.00 0.00 N ATOM 213 CA LYS A 14 6.447 -8.367 -12.200 1.00 0.00 C ATOM 214 C LYS A 14 6.741 -6.903 -12.500 1.00 0.00 C ATOM 215 O LYS A 14 6.973 -6.532 -13.651 1.00 0.00 O ATOM 216 CB LYS A 14 7.747 -9.173 -12.267 1.00 0.00 C ATOM 217 CG LYS A 14 7.492 -10.600 -11.772 1.00 0.00 C ATOM 218 CD LYS A 14 8.796 -11.397 -11.822 1.00 0.00 C ATOM 219 CE LYS A 14 8.539 -12.825 -11.337 1.00 0.00 C ATOM 220 NZ LYS A 14 9.818 -13.591 -11.347 1.00 0.00 N ATOM 0 H LYS A 14 5.841 -9.644 -13.751 1.00 0.00 H new ATOM 0 HA LYS A 14 6.022 -8.443 -11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.122 -9.194 -13.290 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.514 -8.697 -11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.105 -10.579 -10.753 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.735 -11.081 -12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.187 -11.412 -12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.551 -10.920 -11.197 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.120 -12.809 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.806 -13.312 -11.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.644 -14.562 -11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.200 -13.617 -12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.504 -13.129 -10.716 1.00 0.00 H new ATOM 234 N LYS A 15 6.728 -6.077 -11.460 1.00 0.00 N ATOM 235 CA LYS A 15 6.993 -4.654 -11.624 1.00 0.00 C ATOM 236 C LYS A 15 7.103 -3.973 -10.263 1.00 0.00 C ATOM 237 O LYS A 15 6.424 -4.355 -9.311 1.00 0.00 O ATOM 238 CB LYS A 15 5.867 -4.010 -12.444 1.00 0.00 C ATOM 239 CG LYS A 15 4.556 -4.061 -11.652 1.00 0.00 C ATOM 240 CD LYS A 15 3.414 -3.540 -12.523 1.00 0.00 C ATOM 241 CE LYS A 15 2.134 -3.469 -11.690 1.00 0.00 C ATOM 242 NZ LYS A 15 1.726 -4.846 -11.289 1.00 0.00 N ATOM 0 H LYS A 15 6.538 -6.366 -10.501 1.00 0.00 H new ATOM 0 HA LYS A 15 7.939 -4.530 -12.151 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.121 -2.976 -12.679 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.750 -4.533 -13.393 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.349 -5.083 -11.336 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.642 -3.459 -10.747 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.661 -2.553 -12.915 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.267 -4.196 -13.381 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.297 -2.854 -10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.339 -2.995 -12.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.743 -4.832 -10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.801 -5.483 -12.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.350 -5.185 -10.529 1.00 0.00 H new ATOM 256 N LEU A 16 7.962 -2.965 -10.178 1.00 0.00 N ATOM 257 CA LEU A 16 8.146 -2.240 -8.928 1.00 0.00 C ATOM 258 C LEU A 16 8.425 -3.210 -7.793 1.00 0.00 C ATOM 259 O LEU A 16 8.623 -4.406 -8.018 1.00 0.00 O ATOM 260 CB LEU A 16 6.891 -1.414 -8.613 1.00 0.00 C ATOM 261 CG LEU A 16 6.911 -0.106 -9.423 1.00 0.00 C ATOM 262 CD1 LEU A 16 8.025 0.837 -8.913 1.00 0.00 C ATOM 263 CD2 LEU A 16 7.143 -0.438 -10.903 1.00 0.00 C ATOM 0 H LEU A 16 8.537 -2.633 -10.952 1.00 0.00 H new ATOM 0 HA LEU A 16 8.999 -1.569 -9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.997 -1.988 -8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.849 -1.192 -7.547 1.00 0.00 H new ATOM 0 HG LEU A 16 5.954 0.403 -9.302 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.021 1.756 -9.500 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.848 1.076 -7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.993 0.346 -9.015 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.159 0.484 -11.485 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.097 -0.954 -11.015 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.339 -1.080 -11.262 1.00 0.00 H new ATOM 275 N GLN A 17 8.444 -2.685 -6.568 1.00 0.00 N ATOM 276 CA GLN A 17 8.703 -3.506 -5.388 1.00 0.00 C ATOM 277 C GLN A 17 7.463 -3.588 -4.509 1.00 0.00 C ATOM 278 O GLN A 17 7.079 -2.612 -3.863 1.00 0.00 O ATOM 279 CB GLN A 17 9.871 -2.910 -4.584 1.00 0.00 C ATOM 280 CG GLN A 17 10.500 -3.994 -3.703 1.00 0.00 C ATOM 281 CD GLN A 17 9.484 -4.473 -2.671 1.00 0.00 C ATOM 282 OE1 GLN A 17 9.329 -5.676 -2.463 1.00 0.00 O ATOM 283 NE2 GLN A 17 8.776 -3.598 -2.011 1.00 0.00 N ATOM 0 H GLN A 17 8.284 -1.698 -6.368 1.00 0.00 H new ATOM 0 HA GLN A 17 8.964 -4.512 -5.716 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.619 -2.500 -5.262 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.516 -2.086 -3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.829 -4.831 -4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.384 -3.601 -3.201 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.906 -2.601 -2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.093 -3.911 -1.321 1.00 0.00 H new ATOM 292 N LYS A 18 6.843 -4.762 -4.488 1.00 0.00 N ATOM 293 CA LYS A 18 5.651 -4.972 -3.679 1.00 0.00 C ATOM 294 C LYS A 18 6.042 -5.261 -2.235 1.00 0.00 C ATOM 295 O LYS A 18 7.012 -5.974 -1.976 1.00 0.00 O ATOM 296 CB LYS A 18 4.841 -6.142 -4.233 1.00 0.00 C ATOM 297 CG LYS A 18 4.312 -5.778 -5.620 1.00 0.00 C ATOM 298 CD LYS A 18 3.478 -6.936 -6.171 1.00 0.00 C ATOM 299 CE LYS A 18 2.918 -6.561 -7.544 1.00 0.00 C ATOM 300 NZ LYS A 18 3.991 -6.702 -8.570 1.00 0.00 N ATOM 0 H LYS A 18 7.145 -5.579 -5.019 1.00 0.00 H new ATOM 0 HA LYS A 18 5.044 -4.067 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.463 -7.035 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.012 -6.374 -3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.705 -4.874 -5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.143 -5.563 -6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.092 -7.833 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.662 -7.168 -5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.074 -7.204 -7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.545 -5.537 -7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.951 -5.897 -9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.919 -6.720 -8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.853 -7.587 -9.098 1.00 0.00 H new ATOM 314 N SER A 19 5.282 -4.704 -1.299 1.00 0.00 N ATOM 315 CA SER A 19 5.552 -4.903 0.125 1.00 0.00 C ATOM 316 C SER A 19 4.246 -5.051 0.895 1.00 0.00 C ATOM 317 O SER A 19 3.232 -4.450 0.536 1.00 0.00 O ATOM 318 CB SER A 19 6.342 -3.716 0.678 1.00 0.00 C ATOM 319 OG SER A 19 6.161 -3.646 2.086 1.00 0.00 O ATOM 0 H SER A 19 4.475 -4.112 -1.497 1.00 0.00 H new ATOM 0 HA SER A 19 6.139 -5.814 0.244 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.400 -3.827 0.441 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.005 -2.791 0.210 1.00 0.00 H new ATOM 0 HG SER A 19 5.878 -2.741 2.335 1.00 0.00 H new ATOM 325 N TYR A 20 4.276 -5.855 1.955 1.00 0.00 N ATOM 326 CA TYR A 20 3.092 -6.085 2.781 1.00 0.00 C ATOM 327 C TYR A 20 3.240 -5.383 4.122 1.00 0.00 C ATOM 328 O TYR A 20 4.294 -5.450 4.755 1.00 0.00 O ATOM 329 CB TYR A 20 2.902 -7.585 3.013 1.00 0.00 C ATOM 330 CG TYR A 20 2.407 -8.230 1.739 1.00 0.00 C ATOM 331 CD1 TYR A 20 3.323 -8.666 0.774 1.00 0.00 C ATOM 332 CD2 TYR A 20 1.033 -8.387 1.523 1.00 0.00 C ATOM 333 CE1 TYR A 20 2.862 -9.262 -0.407 1.00 0.00 C ATOM 334 CE2 TYR A 20 0.573 -8.982 0.343 1.00 0.00 C ATOM 335 CZ TYR A 20 1.487 -9.419 -0.623 1.00 0.00 C ATOM 336 OH TYR A 20 1.033 -10.006 -1.785 1.00 0.00 O ATOM 0 H TYR A 20 5.108 -6.359 2.263 1.00 0.00 H new ATOM 0 HA TYR A 20 2.222 -5.683 2.261 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.844 -8.039 3.322 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.188 -7.752 3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.383 -8.543 0.940 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.327 -8.049 2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.567 -9.601 -1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.487 -9.104 0.178 1.00 0.00 H new ATOM 0 HH TYR A 20 0.054 -10.038 -1.774 1.00 0.00 H new ATOM 346 N PHE A 21 2.177 -4.707 4.549 1.00 0.00 N ATOM 347 CA PHE A 21 2.186 -3.986 5.823 1.00 0.00 C ATOM 348 C PHE A 21 1.022 -4.442 6.693 1.00 0.00 C ATOM 349 O PHE A 21 -0.122 -4.500 6.237 1.00 0.00 O ATOM 350 CB PHE A 21 2.065 -2.482 5.566 1.00 0.00 C ATOM 351 CG PHE A 21 3.219 -2.025 4.707 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.178 -2.228 3.322 1.00 0.00 C ATOM 353 CD2 PHE A 21 4.333 -1.407 5.290 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.245 -1.809 2.523 1.00 0.00 C ATOM 355 CE2 PHE A 21 5.402 -0.986 4.488 1.00 0.00 C ATOM 356 CZ PHE A 21 5.357 -1.191 3.104 1.00 0.00 C ATOM 0 H PHE A 21 1.299 -4.642 4.034 1.00 0.00 H new ATOM 0 HA PHE A 21 3.123 -4.196 6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.119 -2.262 5.071 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.064 -1.939 6.511 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.322 -2.708 2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.368 -1.255 6.359 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.211 -1.963 1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.258 -0.505 4.936 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.182 -0.872 2.484 1.00 0.00 H new ATOM 366 N ASP A 22 1.319 -4.765 7.948 1.00 0.00 N ATOM 367 CA ASP A 22 0.293 -5.218 8.886 1.00 0.00 C ATOM 368 C ASP A 22 -0.151 -4.067 9.775 1.00 0.00 C ATOM 369 O ASP A 22 0.606 -3.604 10.627 1.00 0.00 O ATOM 370 CB ASP A 22 0.843 -6.349 9.755 1.00 0.00 C ATOM 371 CG ASP A 22 1.003 -7.613 8.921 1.00 0.00 C ATOM 372 OD1 ASP A 22 0.548 -7.612 7.788 1.00 0.00 O ATOM 373 OD2 ASP A 22 1.576 -8.562 9.426 1.00 0.00 O ATOM 0 H ASP A 22 2.260 -4.722 8.340 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.563 -5.582 8.317 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.804 -6.059 10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.169 -6.537 10.591 1.00 0.00 H new ATOM 378 N VAL A 23 -1.382 -3.605 9.574 1.00 0.00 N ATOM 379 CA VAL A 23 -1.922 -2.502 10.366 1.00 0.00 C ATOM 380 C VAL A 23 -2.778 -3.037 11.505 1.00 0.00 C ATOM 381 O VAL A 23 -3.825 -3.644 11.276 1.00 0.00 O ATOM 382 CB VAL A 23 -2.772 -1.594 9.478 1.00 0.00 C ATOM 383 CG1 VAL A 23 -3.113 -0.313 10.241 1.00 0.00 C ATOM 384 CG2 VAL A 23 -1.986 -1.240 8.214 1.00 0.00 C ATOM 0 H VAL A 23 -2.023 -3.975 8.872 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.090 -1.933 10.782 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.692 -2.110 9.202 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.719 0.336 9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.670 -0.564 11.144 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.193 0.203 10.515 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.591 -0.592 7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.067 -0.723 8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.740 -2.153 7.671 1.00 0.00 H new ATOM 394 N LEU A 24 -2.327 -2.808 12.737 1.00 0.00 N ATOM 395 CA LEU A 24 -3.058 -3.270 13.917 1.00 0.00 C ATOM 396 C LEU A 24 -3.816 -2.116 14.559 1.00 0.00 C ATOM 397 O LEU A 24 -4.628 -2.323 15.460 1.00 0.00 O ATOM 398 CB LEU A 24 -2.079 -3.862 14.932 1.00 0.00 C ATOM 399 CG LEU A 24 -1.285 -4.999 14.275 1.00 0.00 C ATOM 400 CD1 LEU A 24 -0.254 -5.536 15.271 1.00 0.00 C ATOM 401 CD2 LEU A 24 -2.237 -6.132 13.849 1.00 0.00 C ATOM 0 H LEU A 24 -1.463 -2.308 12.944 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.772 -4.033 13.607 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.399 -3.089 15.291 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.621 -4.237 15.800 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.775 -4.618 13.390 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.312 -6.344 14.808 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.426 -4.734 15.558 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.766 -5.913 16.157 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.663 -6.934 13.384 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.757 -6.519 14.725 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.965 -5.746 13.136 1.00 0.00 H new ATOM 413 N GLY A 25 -3.550 -0.897 14.090 1.00 0.00 N ATOM 414 CA GLY A 25 -4.217 0.291 14.626 1.00 0.00 C ATOM 415 C GLY A 25 -5.302 0.779 13.678 1.00 0.00 C ATOM 416 O GLY A 25 -5.531 1.981 13.549 1.00 0.00 O ATOM 0 H GLY A 25 -2.881 -0.706 13.344 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.654 0.060 15.597 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.485 1.083 14.786 1.00 0.00 H new ATOM 420 N ILE A 26 -5.971 -0.160 13.018 1.00 0.00 N ATOM 421 CA ILE A 26 -7.039 0.180 12.082 1.00 0.00 C ATOM 422 C ILE A 26 -8.376 0.240 12.799 1.00 0.00 C ATOM 423 O ILE A 26 -8.710 -0.644 13.587 1.00 0.00 O ATOM 424 CB ILE A 26 -7.119 -0.862 10.966 1.00 0.00 C ATOM 425 CG1 ILE A 26 -8.247 -0.486 10.000 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.403 -2.239 11.569 1.00 0.00 C ATOM 427 CD1 ILE A 26 -8.184 -1.380 8.762 1.00 0.00 C ATOM 0 H ILE A 26 -5.794 -1.160 13.113 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.814 1.157 11.654 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.171 -0.891 10.428 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.213 -0.598 10.492 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.156 0.561 9.710 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.460 -2.981 10.772 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.602 -2.507 12.258 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.350 -2.212 12.108 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.988 -1.110 8.077 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.223 -1.246 8.265 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.296 -2.422 9.060 1.00 0.00 H new ATOM 439 N CYS A 27 -9.147 1.286 12.512 1.00 0.00 N ATOM 440 CA CYS A 27 -10.465 1.460 13.122 1.00 0.00 C ATOM 441 C CYS A 27 -11.475 1.787 12.027 1.00 0.00 C ATOM 442 O CYS A 27 -11.151 2.451 11.045 1.00 0.00 O ATOM 443 CB CYS A 27 -10.401 2.583 14.193 1.00 0.00 C ATOM 444 SG CYS A 27 -11.782 3.750 14.018 1.00 0.00 S ATOM 0 H CYS A 27 -8.883 2.026 11.862 1.00 0.00 H new ATOM 0 HA CYS A 27 -10.779 0.543 13.621 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -10.422 2.139 15.188 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -9.456 3.119 14.103 1.00 0.00 H new ATOM 449 N CYS A 28 -12.700 1.307 12.194 1.00 0.00 N ATOM 450 CA CYS A 28 -13.741 1.553 11.205 1.00 0.00 C ATOM 451 C CYS A 28 -13.186 1.357 9.794 1.00 0.00 C ATOM 452 O CYS A 28 -12.089 0.825 9.614 1.00 0.00 O ATOM 453 CB CYS A 28 -14.287 2.980 11.360 1.00 0.00 C ATOM 454 SG CYS A 28 -13.180 4.164 10.547 1.00 0.00 S ATOM 0 H CYS A 28 -12.996 0.751 12.996 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.552 0.843 11.366 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -15.284 3.045 10.925 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.384 3.228 12.417 1.00 0.00 H new ATOM 459 N THR A 29 -13.949 1.795 8.798 1.00 0.00 N ATOM 460 CA THR A 29 -13.535 1.679 7.401 1.00 0.00 C ATOM 461 C THR A 29 -13.662 3.025 6.689 1.00 0.00 C ATOM 462 O THR A 29 -13.258 3.166 5.535 1.00 0.00 O ATOM 463 CB THR A 29 -14.400 0.640 6.688 1.00 0.00 C ATOM 464 OG1 THR A 29 -14.178 -0.636 7.274 1.00 0.00 O ATOM 465 CG2 THR A 29 -14.034 0.595 5.201 1.00 0.00 C ATOM 0 H THR A 29 -14.860 2.235 8.931 1.00 0.00 H new ATOM 0 HA THR A 29 -12.492 1.365 7.375 1.00 0.00 H new ATOM 0 HB THR A 29 -15.451 0.910 6.789 1.00 0.00 H new ATOM 0 HG1 THR A 29 -14.732 -1.305 6.821 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.653 -0.147 4.696 1.00 0.00 H new ATOM 0 HG22 THR A 29 -14.205 1.575 4.754 1.00 0.00 H new ATOM 0 HG23 THR A 29 -12.983 0.325 5.093 1.00 0.00 H new ATOM 473 N SER A 30 -14.224 4.010 7.382 1.00 0.00 N ATOM 474 CA SER A 30 -14.397 5.335 6.799 1.00 0.00 C ATOM 475 C SER A 30 -13.075 6.095 6.772 1.00 0.00 C ATOM 476 O SER A 30 -12.975 7.159 6.161 1.00 0.00 O ATOM 477 CB SER A 30 -15.421 6.129 7.604 1.00 0.00 C ATOM 478 OG SER A 30 -14.890 6.407 8.893 1.00 0.00 O ATOM 0 H SER A 30 -14.564 3.917 8.339 1.00 0.00 H new ATOM 0 HA SER A 30 -14.750 5.211 5.775 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.664 7.059 7.090 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.348 5.563 7.694 1.00 0.00 H new ATOM 0 HG SER A 30 -14.347 5.649 9.194 1.00 0.00 H new ATOM 484 N GLU A 31 -12.064 5.539 7.439 1.00 0.00 N ATOM 485 CA GLU A 31 -10.735 6.155 7.492 1.00 0.00 C ATOM 486 C GLU A 31 -9.868 5.660 6.339 1.00 0.00 C ATOM 487 O GLU A 31 -8.663 5.914 6.304 1.00 0.00 O ATOM 488 CB GLU A 31 -10.061 5.838 8.826 1.00 0.00 C ATOM 489 CG GLU A 31 -9.755 4.345 8.910 1.00 0.00 C ATOM 490 CD GLU A 31 -9.219 4.008 10.293 1.00 0.00 C ATOM 491 OE1 GLU A 31 -9.777 4.505 11.260 1.00 0.00 O ATOM 492 OE2 GLU A 31 -8.264 3.256 10.366 1.00 0.00 O ATOM 0 H GLU A 31 -12.139 4.661 7.952 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.852 7.235 7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.140 6.413 8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.710 6.132 9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.657 3.767 8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.024 4.070 8.149 1.00 0.00 H new ATOM 499 N VAL A 32 -10.487 4.946 5.404 1.00 0.00 N ATOM 500 CA VAL A 32 -9.757 4.423 4.256 1.00 0.00 C ATOM 501 C VAL A 32 -9.076 5.568 3.496 1.00 0.00 C ATOM 502 O VAL A 32 -7.925 5.438 3.079 1.00 0.00 O ATOM 503 CB VAL A 32 -10.705 3.636 3.313 1.00 0.00 C ATOM 504 CG1 VAL A 32 -10.098 3.538 1.908 1.00 0.00 C ATOM 505 CG2 VAL A 32 -10.935 2.234 3.873 1.00 0.00 C ATOM 0 H VAL A 32 -11.481 4.718 5.418 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.991 3.737 4.618 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.657 4.164 3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.774 2.983 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.948 4.540 1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.140 3.021 1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.601 1.682 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.982 1.711 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.387 2.307 4.862 1.00 0.00 H new ATOM 515 N PRO A 33 -9.760 6.669 3.301 1.00 0.00 N ATOM 516 CA PRO A 33 -9.209 7.838 2.559 1.00 0.00 C ATOM 517 C PRO A 33 -7.941 8.380 3.220 1.00 0.00 C ATOM 518 O PRO A 33 -7.024 8.847 2.542 1.00 0.00 O ATOM 519 CB PRO A 33 -10.355 8.870 2.601 1.00 0.00 C ATOM 520 CG PRO A 33 -11.587 8.077 2.885 1.00 0.00 C ATOM 521 CD PRO A 33 -11.127 6.941 3.775 1.00 0.00 C ATOM 0 HA PRO A 33 -8.908 7.584 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.182 9.619 3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.440 9.403 1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.342 8.686 3.382 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.035 7.701 1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.138 7.225 4.827 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.769 6.066 3.674 1.00 0.00 H new ATOM 529 N ILE A 34 -7.905 8.318 4.545 1.00 0.00 N ATOM 530 CA ILE A 34 -6.756 8.809 5.295 1.00 0.00 C ATOM 531 C ILE A 34 -5.518 7.977 4.979 1.00 0.00 C ATOM 532 O ILE A 34 -4.426 8.515 4.795 1.00 0.00 O ATOM 533 CB ILE A 34 -7.047 8.762 6.799 1.00 0.00 C ATOM 534 CG1 ILE A 34 -8.134 9.786 7.142 1.00 0.00 C ATOM 535 CG2 ILE A 34 -5.775 9.097 7.581 1.00 0.00 C ATOM 536 CD1 ILE A 34 -8.648 9.536 8.562 1.00 0.00 C ATOM 0 H ILE A 34 -8.655 7.934 5.120 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.568 9.842 5.002 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.387 7.762 7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.733 10.797 7.062 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.955 9.712 6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.985 9.063 8.650 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.998 8.371 7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.434 10.096 7.310 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.421 10.266 8.803 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.065 8.531 8.626 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.824 9.633 9.269 1.00 0.00 H new ATOM 548 N ILE A 35 -5.697 6.663 4.926 1.00 0.00 N ATOM 549 CA ILE A 35 -4.585 5.766 4.641 1.00 0.00 C ATOM 550 C ILE A 35 -3.997 6.066 3.268 1.00 0.00 C ATOM 551 O ILE A 35 -2.784 6.187 3.118 1.00 0.00 O ATOM 552 CB ILE A 35 -5.066 4.314 4.683 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.719 4.032 6.039 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.874 3.374 4.491 1.00 0.00 C ATOM 555 CD1 ILE A 35 -6.386 2.654 6.008 1.00 0.00 C ATOM 0 H ILE A 35 -6.593 6.198 5.075 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.814 5.918 5.397 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.791 4.150 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.970 4.067 6.830 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.458 4.801 6.266 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.218 2.340 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.405 3.573 3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.149 3.539 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.851 2.453 6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.147 2.636 5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.636 1.891 5.801 1.00 0.00 H new ATOM 567 N GLU A 36 -4.865 6.190 2.271 1.00 0.00 N ATOM 568 CA GLU A 36 -4.417 6.477 0.913 1.00 0.00 C ATOM 569 C GLU A 36 -3.776 7.859 0.843 1.00 0.00 C ATOM 570 O GLU A 36 -2.857 8.089 0.057 1.00 0.00 O ATOM 571 CB GLU A 36 -5.601 6.412 -0.051 1.00 0.00 C ATOM 572 CG GLU A 36 -6.114 4.972 -0.132 1.00 0.00 C ATOM 573 CD GLU A 36 -7.337 4.906 -1.042 1.00 0.00 C ATOM 574 OE1 GLU A 36 -7.715 5.940 -1.567 1.00 0.00 O ATOM 575 OE2 GLU A 36 -7.875 3.823 -1.199 1.00 0.00 O ATOM 0 H GLU A 36 -5.875 6.097 2.375 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.676 5.730 0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.397 7.075 0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.298 6.758 -1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.330 4.319 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.371 4.612 0.864 1.00 0.00 H new ATOM 582 N ASN A 37 -4.267 8.774 1.670 1.00 0.00 N ATOM 583 CA ASN A 37 -3.738 10.132 1.695 1.00 0.00 C ATOM 584 C ASN A 37 -2.274 10.130 2.123 1.00 0.00 C ATOM 585 O ASN A 37 -1.461 10.890 1.595 1.00 0.00 O ATOM 586 CB ASN A 37 -4.550 10.995 2.663 1.00 0.00 C ATOM 587 CG ASN A 37 -3.987 12.412 2.697 1.00 0.00 C ATOM 588 OD1 ASN A 37 -3.239 12.807 1.802 1.00 0.00 O ATOM 589 ND2 ASN A 37 -4.304 13.206 3.685 1.00 0.00 N ATOM 0 H ASN A 37 -5.026 8.602 2.329 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.812 10.546 0.689 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.595 11.017 2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.522 10.560 3.662 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.932 14.155 3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.924 12.877 4.425 1.00 0.00 H new ATOM 596 N ILE A 38 -1.944 9.276 3.088 1.00 0.00 N ATOM 597 CA ILE A 38 -0.574 9.192 3.580 1.00 0.00 C ATOM 598 C ILE A 38 0.370 8.745 2.465 1.00 0.00 C ATOM 599 O ILE A 38 1.447 9.312 2.286 1.00 0.00 O ATOM 600 CB ILE A 38 -0.502 8.197 4.745 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.267 8.761 5.947 1.00 0.00 C ATOM 602 CG2 ILE A 38 0.962 7.971 5.138 1.00 0.00 C ATOM 603 CD1 ILE A 38 -1.431 7.670 7.006 1.00 0.00 C ATOM 0 H ILE A 38 -2.600 8.639 3.540 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.267 10.180 3.924 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.947 7.250 4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.730 9.612 6.366 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.244 9.125 5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.011 7.264 5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.510 7.570 4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.407 8.918 5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.975 8.072 7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.986 6.833 6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.448 7.327 7.330 1.00 0.00 H new ATOM 615 N LEU A 39 -0.045 7.733 1.715 1.00 0.00 N ATOM 616 CA LEU A 39 0.768 7.224 0.616 1.00 0.00 C ATOM 617 C LEU A 39 0.945 8.299 -0.453 1.00 0.00 C ATOM 618 O LEU A 39 2.026 8.448 -1.022 1.00 0.00 O ATOM 619 CB LEU A 39 0.112 5.972 0.010 1.00 0.00 C ATOM 620 CG LEU A 39 0.555 4.723 0.777 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.212 4.878 2.257 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.164 3.502 0.208 1.00 0.00 C ATOM 0 H LEU A 39 -0.934 7.250 1.845 1.00 0.00 H new ATOM 0 HA LEU A 39 1.751 6.953 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.973 6.066 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.387 5.880 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 39 1.632 4.594 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.529 3.987 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.726 5.750 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.864 5.007 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.148 2.610 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.241 3.632 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.087 3.391 -0.847 1.00 0.00 H new ATOM 634 N LYS A 40 -0.121 9.037 -0.721 1.00 0.00 N ATOM 635 CA LYS A 40 -0.070 10.084 -1.728 1.00 0.00 C ATOM 636 C LYS A 40 1.040 11.078 -1.410 1.00 0.00 C ATOM 637 O LYS A 40 1.755 11.531 -2.302 1.00 0.00 O ATOM 638 CB LYS A 40 -1.412 10.816 -1.784 1.00 0.00 C ATOM 639 CG LYS A 40 -1.395 11.830 -2.928 1.00 0.00 C ATOM 640 CD LYS A 40 -2.755 12.523 -3.021 1.00 0.00 C ATOM 641 CE LYS A 40 -2.741 13.529 -4.172 1.00 0.00 C ATOM 642 NZ LYS A 40 -2.887 12.801 -5.465 1.00 0.00 N ATOM 0 H LYS A 40 -1.024 8.932 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 40 0.136 9.625 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.222 10.101 -1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.601 11.323 -0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.610 12.568 -2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.166 11.328 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.541 11.784 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.980 13.031 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.552 14.247 -4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.810 14.096 -4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.980 13.487 -6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.048 12.208 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.735 12.200 -5.431 1.00 0.00 H new ATOM 656 N SER A 41 1.184 11.404 -0.131 1.00 0.00 N ATOM 657 CA SER A 41 2.216 12.342 0.293 1.00 0.00 C ATOM 658 C SER A 41 3.602 11.800 -0.041 1.00 0.00 C ATOM 659 O SER A 41 4.483 12.541 -0.476 1.00 0.00 O ATOM 660 CB SER A 41 2.112 12.586 1.799 1.00 0.00 C ATOM 661 OG SER A 41 3.096 13.534 2.190 1.00 0.00 O ATOM 0 H SER A 41 0.605 11.037 0.624 1.00 0.00 H new ATOM 0 HA SER A 41 2.067 13.282 -0.239 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.117 12.952 2.052 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.255 11.651 2.341 1.00 0.00 H new ATOM 0 HG SER A 41 3.031 13.694 3.155 1.00 0.00 H new ATOM 667 N LEU A 42 3.786 10.502 0.166 1.00 0.00 N ATOM 668 CA LEU A 42 5.069 9.864 -0.112 1.00 0.00 C ATOM 669 C LEU A 42 5.351 9.871 -1.606 1.00 0.00 C ATOM 670 O LEU A 42 4.431 9.821 -2.423 1.00 0.00 O ATOM 671 CB LEU A 42 5.057 8.421 0.396 1.00 0.00 C ATOM 672 CG LEU A 42 4.746 8.403 1.897 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.668 6.954 2.379 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.845 9.154 2.672 1.00 0.00 C ATOM 0 H LEU A 42 3.068 9.872 0.524 1.00 0.00 H new ATOM 0 HA LEU A 42 5.851 10.423 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.311 7.841 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.023 7.952 0.210 1.00 0.00 H new ATOM 0 HG LEU A 42 3.791 8.898 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.447 6.937 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.880 6.432 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.622 6.459 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.616 9.136 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.807 8.671 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.891 10.187 2.328 1.00 0.00 H new ATOM 686 N ASP A 43 6.632 9.935 -1.961 1.00 0.00 N ATOM 687 CA ASP A 43 7.040 9.948 -3.366 1.00 0.00 C ATOM 688 C ASP A 43 7.615 8.595 -3.761 1.00 0.00 C ATOM 689 O ASP A 43 8.243 7.914 -2.950 1.00 0.00 O ATOM 690 CB ASP A 43 8.089 11.036 -3.597 1.00 0.00 C ATOM 691 CG ASP A 43 9.321 10.767 -2.740 1.00 0.00 C ATOM 692 OD1 ASP A 43 9.272 9.852 -1.935 1.00 0.00 O ATOM 693 OD2 ASP A 43 10.298 11.480 -2.904 1.00 0.00 O ATOM 0 H ASP A 43 7.405 9.979 -1.297 1.00 0.00 H new ATOM 0 HA ASP A 43 6.164 10.156 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.368 11.065 -4.650 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.672 12.012 -3.351 1.00 0.00 H new ATOM 698 N GLY A 44 7.393 8.209 -5.015 1.00 0.00 N ATOM 699 CA GLY A 44 7.888 6.928 -5.523 1.00 0.00 C ATOM 700 C GLY A 44 6.757 5.911 -5.621 1.00 0.00 C ATOM 701 O GLY A 44 6.842 4.949 -6.383 1.00 0.00 O ATOM 0 H GLY A 44 6.875 8.762 -5.698 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.340 7.071 -6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.669 6.548 -4.864 1.00 0.00 H new ATOM 705 N VAL A 45 5.697 6.127 -4.846 1.00 0.00 N ATOM 706 CA VAL A 45 4.558 5.219 -4.863 1.00 0.00 C ATOM 707 C VAL A 45 3.788 5.354 -6.172 1.00 0.00 C ATOM 708 O VAL A 45 3.459 6.461 -6.598 1.00 0.00 O ATOM 709 CB VAL A 45 3.626 5.530 -3.693 1.00 0.00 C ATOM 710 CG1 VAL A 45 4.424 5.518 -2.389 1.00 0.00 C ATOM 711 CG2 VAL A 45 2.996 6.911 -3.897 1.00 0.00 C ATOM 0 H VAL A 45 5.605 6.915 -4.205 1.00 0.00 H new ATOM 0 HA VAL A 45 4.929 4.198 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 45 2.840 4.777 -3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.760 5.740 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.872 4.535 -2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.211 6.271 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.331 7.134 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.781 7.665 -3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.427 6.918 -4.827 1.00 0.00 H new ATOM 721 N LYS A 46 3.500 4.221 -6.806 1.00 0.00 N ATOM 722 CA LYS A 46 2.766 4.219 -8.072 1.00 0.00 C ATOM 723 C LYS A 46 1.279 3.992 -7.836 1.00 0.00 C ATOM 724 O LYS A 46 0.440 4.731 -8.349 1.00 0.00 O ATOM 725 CB LYS A 46 3.319 3.118 -8.980 1.00 0.00 C ATOM 726 CG LYS A 46 4.730 3.492 -9.470 1.00 0.00 C ATOM 727 CD LYS A 46 4.637 4.375 -10.719 1.00 0.00 C ATOM 728 CE LYS A 46 6.043 4.722 -11.197 1.00 0.00 C ATOM 729 NZ LYS A 46 6.742 3.480 -11.625 1.00 0.00 N ATOM 0 H LYS A 46 3.761 3.295 -6.467 1.00 0.00 H new ATOM 0 HA LYS A 46 2.893 5.190 -8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.353 2.173 -8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.656 2.973 -9.833 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.269 4.018 -8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.297 2.588 -9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.091 3.855 -11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.082 5.286 -10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.993 5.428 -12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.601 5.209 -10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.171 3.628 -12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.486 3.245 -10.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.059 2.697 -11.677 1.00 0.00 H new ATOM 743 N GLU A 47 0.959 2.966 -7.058 1.00 0.00 N ATOM 744 CA GLU A 47 -0.430 2.650 -6.761 1.00 0.00 C ATOM 745 C GLU A 47 -0.531 1.809 -5.495 1.00 0.00 C ATOM 746 O GLU A 47 0.461 1.246 -5.031 1.00 0.00 O ATOM 747 CB GLU A 47 -1.055 1.893 -7.933 1.00 0.00 C ATOM 748 CG GLU A 47 -0.138 0.739 -8.341 1.00 0.00 C ATOM 749 CD GLU A 47 -0.773 -0.054 -9.478 1.00 0.00 C ATOM 750 OE1 GLU A 47 -1.991 -0.135 -9.508 1.00 0.00 O ATOM 751 OE2 GLU A 47 -0.035 -0.570 -10.299 1.00 0.00 O ATOM 0 H GLU A 47 1.639 2.342 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.969 3.584 -6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.036 1.510 -7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.206 2.567 -8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.831 1.127 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.041 0.086 -7.487 1.00 0.00 H new ATOM 758 N TYR A 48 -1.736 1.729 -4.947 1.00 0.00 N ATOM 759 CA TYR A 48 -1.973 0.955 -3.731 1.00 0.00 C ATOM 760 C TYR A 48 -3.437 0.557 -3.617 1.00 0.00 C ATOM 761 O TYR A 48 -4.306 1.139 -4.268 1.00 0.00 O ATOM 762 CB TYR A 48 -1.553 1.768 -2.499 1.00 0.00 C ATOM 763 CG TYR A 48 -2.001 3.200 -2.677 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.356 3.531 -2.574 1.00 0.00 C ATOM 765 CD2 TYR A 48 -1.055 4.198 -2.950 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.768 4.859 -2.746 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.466 5.526 -3.121 1.00 0.00 C ATOM 768 CZ TYR A 48 -2.823 5.856 -3.018 1.00 0.00 C ATOM 769 OH TYR A 48 -3.228 7.165 -3.185 1.00 0.00 O ATOM 0 H TYR A 48 -2.565 2.189 -5.323 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.374 0.046 -3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.998 1.344 -1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.471 1.725 -2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.085 2.763 -2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.009 3.943 -3.029 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.815 5.114 -2.669 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.737 6.295 -3.332 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.447 7.729 -3.366 1.00 0.00 H new ATOM 779 N SER A 49 -3.705 -0.446 -2.782 1.00 0.00 N ATOM 780 CA SER A 49 -5.069 -0.927 -2.580 1.00 0.00 C ATOM 781 C SER A 49 -5.259 -1.394 -1.141 1.00 0.00 C ATOM 782 O SER A 49 -4.591 -2.319 -0.685 1.00 0.00 O ATOM 783 CB SER A 49 -5.362 -2.077 -3.552 1.00 0.00 C ATOM 784 OG SER A 49 -5.788 -1.536 -4.795 1.00 0.00 O ATOM 0 H SER A 49 -2.998 -0.939 -2.237 1.00 0.00 H new ATOM 0 HA SER A 49 -5.764 -0.110 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.470 -2.687 -3.693 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.133 -2.730 -3.142 1.00 0.00 H new ATOM 0 HG SER A 49 -5.476 -0.610 -4.873 1.00 0.00 H new ATOM 790 N VAL A 50 -6.177 -0.745 -0.429 1.00 0.00 N ATOM 791 CA VAL A 50 -6.449 -1.104 0.957 1.00 0.00 C ATOM 792 C VAL A 50 -7.531 -2.174 1.018 1.00 0.00 C ATOM 793 O VAL A 50 -8.643 -1.973 0.528 1.00 0.00 O ATOM 794 CB VAL A 50 -6.912 0.130 1.731 1.00 0.00 C ATOM 795 CG1 VAL A 50 -6.870 -0.163 3.231 1.00 0.00 C ATOM 796 CG2 VAL A 50 -5.987 1.305 1.412 1.00 0.00 C ATOM 0 H VAL A 50 -6.740 0.026 -0.787 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.534 -1.492 1.405 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.932 0.381 1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.200 0.717 3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.529 -1.001 3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.851 -0.414 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.315 2.186 1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.967 1.054 1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.019 1.513 0.343 1.00 0.00 H new ATOM 806 N ILE A 51 -7.200 -3.314 1.625 1.00 0.00 N ATOM 807 CA ILE A 51 -8.154 -4.414 1.751 1.00 0.00 C ATOM 808 C ILE A 51 -8.590 -4.561 3.204 1.00 0.00 C ATOM 809 O ILE A 51 -7.862 -5.107 4.032 1.00 0.00 O ATOM 810 CB ILE A 51 -7.501 -5.720 1.280 1.00 0.00 C ATOM 811 CG1 ILE A 51 -6.943 -5.532 -0.132 1.00 0.00 C ATOM 812 CG2 ILE A 51 -8.547 -6.834 1.255 1.00 0.00 C ATOM 813 CD1 ILE A 51 -6.126 -6.762 -0.528 1.00 0.00 C ATOM 0 H ILE A 51 -6.284 -3.499 2.035 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.027 -4.199 1.134 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.695 -5.985 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.759 -5.381 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.318 -4.640 -0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.083 -7.762 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.955 -6.973 2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.351 -6.563 0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.729 -6.627 -1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.301 -6.892 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.764 -7.645 -0.505 1.00 0.00 H new ATOM 825 N VAL A 52 -9.786 -4.067 3.500 1.00 0.00 N ATOM 826 CA VAL A 52 -10.330 -4.142 4.851 1.00 0.00 C ATOM 827 C VAL A 52 -10.795 -5.566 5.162 1.00 0.00 C ATOM 828 O VAL A 52 -10.594 -6.062 6.270 1.00 0.00 O ATOM 829 CB VAL A 52 -11.514 -3.159 5.009 1.00 0.00 C ATOM 830 CG1 VAL A 52 -11.524 -2.572 6.420 1.00 0.00 C ATOM 831 CG2 VAL A 52 -11.383 -2.030 3.981 1.00 0.00 C ATOM 0 H VAL A 52 -10.398 -3.610 2.823 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.543 -3.866 5.553 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.448 -3.696 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.361 -1.881 6.521 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.628 -3.377 7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.590 -2.039 6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.217 -1.338 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.446 -1.498 4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.393 -2.451 2.975 1.00 0.00 H new ATOM 841 N PRO A 53 -11.419 -6.221 4.212 1.00 0.00 N ATOM 842 CA PRO A 53 -11.937 -7.606 4.400 1.00 0.00 C ATOM 843 C PRO A 53 -10.851 -8.566 4.889 1.00 0.00 C ATOM 844 O PRO A 53 -11.123 -9.487 5.661 1.00 0.00 O ATOM 845 CB PRO A 53 -12.440 -8.001 2.998 1.00 0.00 C ATOM 846 CG PRO A 53 -12.719 -6.707 2.303 1.00 0.00 C ATOM 847 CD PRO A 53 -11.702 -5.717 2.852 1.00 0.00 C ATOM 0 HA PRO A 53 -12.715 -7.654 5.162 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.691 -8.583 2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.338 -8.616 3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.618 -6.813 1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.737 -6.370 2.497 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.800 -5.689 2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.103 -4.704 2.876 1.00 0.00 H new ATOM 855 N SER A 54 -9.623 -8.344 4.429 1.00 0.00 N ATOM 856 CA SER A 54 -8.492 -9.191 4.809 1.00 0.00 C ATOM 857 C SER A 54 -7.551 -8.438 5.743 1.00 0.00 C ATOM 858 O SER A 54 -6.513 -8.963 6.149 1.00 0.00 O ATOM 859 CB SER A 54 -7.729 -9.631 3.559 1.00 0.00 C ATOM 860 OG SER A 54 -6.895 -10.735 3.889 1.00 0.00 O ATOM 0 H SER A 54 -9.384 -7.584 3.792 1.00 0.00 H new ATOM 0 HA SER A 54 -8.876 -10.069 5.329 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.428 -9.910 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.128 -8.807 3.175 1.00 0.00 H new ATOM 0 HG SER A 54 -6.457 -10.568 4.750 1.00 0.00 H new ATOM 866 N ARG A 55 -7.922 -7.208 6.084 1.00 0.00 N ATOM 867 CA ARG A 55 -7.104 -6.392 6.974 1.00 0.00 C ATOM 868 C ARG A 55 -5.668 -6.329 6.473 1.00 0.00 C ATOM 869 O ARG A 55 -4.745 -6.045 7.238 1.00 0.00 O ATOM 870 CB ARG A 55 -7.120 -6.988 8.383 1.00 0.00 C ATOM 871 CG ARG A 55 -8.514 -6.829 8.990 1.00 0.00 C ATOM 872 CD ARG A 55 -8.549 -7.488 10.368 1.00 0.00 C ATOM 873 NE ARG A 55 -9.874 -7.344 10.962 1.00 0.00 N ATOM 874 CZ ARG A 55 -10.164 -7.897 12.135 1.00 0.00 C ATOM 875 NH1 ARG A 55 -9.256 -8.580 12.777 1.00 0.00 N ATOM 876 NH2 ARG A 55 -11.357 -7.756 12.646 1.00 0.00 N ATOM 0 H ARG A 55 -8.778 -6.757 5.760 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.517 -5.384 6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.846 -8.042 8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.380 -6.488 9.009 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.767 -5.772 9.074 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.260 -7.284 8.339 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.295 -8.544 10.281 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.800 -7.032 11.016 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.589 -6.810 10.469 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.323 -8.689 12.378 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.479 -9.004 13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.067 -7.221 12.145 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.580 -8.180 13.546 1.00 0.00 H new ATOM 890 N THR A 56 -5.481 -6.596 5.184 1.00 0.00 N ATOM 891 CA THR A 56 -4.149 -6.568 4.577 1.00 0.00 C ATOM 892 C THR A 56 -3.991 -5.329 3.710 1.00 0.00 C ATOM 893 O THR A 56 -4.910 -4.941 2.993 1.00 0.00 O ATOM 894 CB THR A 56 -3.937 -7.818 3.720 1.00 0.00 C ATOM 895 OG1 THR A 56 -4.058 -8.972 4.539 1.00 0.00 O ATOM 896 CG2 THR A 56 -2.541 -7.775 3.100 1.00 0.00 C ATOM 0 H THR A 56 -6.233 -6.834 4.538 1.00 0.00 H new ATOM 0 HA THR A 56 -3.406 -6.545 5.374 1.00 0.00 H new ATOM 0 HB THR A 56 -4.685 -7.853 2.928 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.944 -8.984 4.958 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.387 -8.664 2.489 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.447 -6.886 2.477 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.792 -7.744 3.891 1.00 0.00 H new ATOM 904 N VAL A 57 -2.818 -4.704 3.779 1.00 0.00 N ATOM 905 CA VAL A 57 -2.547 -3.500 2.995 1.00 0.00 C ATOM 906 C VAL A 57 -1.470 -3.789 1.959 1.00 0.00 C ATOM 907 O VAL A 57 -0.416 -4.341 2.279 1.00 0.00 O ATOM 908 CB VAL A 57 -2.074 -2.370 3.917 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.610 -1.178 3.075 1.00 0.00 C ATOM 910 CG2 VAL A 57 -3.226 -1.938 4.826 1.00 0.00 C ATOM 0 H VAL A 57 -2.042 -5.009 4.367 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.464 -3.195 2.491 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.243 -2.725 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.274 -0.376 3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.787 -1.486 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.438 -0.822 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.890 -1.135 5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.058 -1.585 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.552 -2.786 5.428 1.00 0.00 H new ATOM 920 N ILE A 58 -1.745 -3.413 0.713 1.00 0.00 N ATOM 921 CA ILE A 58 -0.801 -3.628 -0.385 1.00 0.00 C ATOM 922 C ILE A 58 -0.493 -2.312 -1.083 1.00 0.00 C ATOM 923 O ILE A 58 -1.399 -1.566 -1.462 1.00 0.00 O ATOM 924 CB ILE A 58 -1.387 -4.614 -1.392 1.00 0.00 C ATOM 925 CG1 ILE A 58 -1.552 -5.982 -0.726 1.00 0.00 C ATOM 926 CG2 ILE A 58 -0.450 -4.737 -2.595 1.00 0.00 C ATOM 927 CD1 ILE A 58 -2.370 -6.901 -1.633 1.00 0.00 C ATOM 0 H ILE A 58 -2.614 -2.957 0.436 1.00 0.00 H new ATOM 0 HA ILE A 58 0.122 -4.037 0.027 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.359 -4.255 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.574 -6.423 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.049 -5.870 0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.870 -5.441 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.335 -3.762 -3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.524 -5.096 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.486 -7.874 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.353 -6.462 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.856 -7.023 -2.586 1.00 0.00 H new ATOM 939 N VAL A 59 0.795 -2.038 -1.255 1.00 0.00 N ATOM 940 CA VAL A 59 1.236 -0.810 -1.915 1.00 0.00 C ATOM 941 C VAL A 59 2.415 -1.095 -2.838 1.00 0.00 C ATOM 942 O VAL A 59 3.367 -1.775 -2.455 1.00 0.00 O ATOM 943 CB VAL A 59 1.640 0.236 -0.870 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.591 -0.395 0.140 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.338 1.422 -1.556 1.00 0.00 C ATOM 0 H VAL A 59 1.553 -2.647 -0.948 1.00 0.00 H new ATOM 0 HA VAL A 59 0.408 -0.422 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 59 0.746 0.593 -0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.878 0.349 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.095 -1.230 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.481 -0.756 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.622 2.161 -0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.230 1.069 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.658 1.878 -2.275 1.00 0.00 H new ATOM 955 N VAL A 60 2.348 -0.558 -4.055 1.00 0.00 N ATOM 956 CA VAL A 60 3.418 -0.746 -5.032 1.00 0.00 C ATOM 957 C VAL A 60 4.253 0.522 -5.140 1.00 0.00 C ATOM 958 O VAL A 60 3.730 1.603 -5.418 1.00 0.00 O ATOM 959 CB VAL A 60 2.825 -1.089 -6.397 1.00 0.00 C ATOM 960 CG1 VAL A 60 3.949 -1.503 -7.345 1.00 0.00 C ATOM 961 CG2 VAL A 60 1.833 -2.244 -6.245 1.00 0.00 C ATOM 0 H VAL A 60 1.567 0.008 -4.387 1.00 0.00 H new ATOM 0 HA VAL A 60 4.055 -1.567 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 60 2.308 -0.219 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.530 -1.749 -8.321 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.657 -0.681 -7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.463 -2.375 -6.941 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.409 -2.490 -7.219 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.349 -3.116 -5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.034 -1.950 -5.565 1.00 0.00 H new ATOM 971 N HIS A 61 5.555 0.385 -4.911 1.00 0.00 N ATOM 972 CA HIS A 61 6.467 1.523 -4.973 1.00 0.00 C ATOM 973 C HIS A 61 7.877 1.063 -5.329 1.00 0.00 C ATOM 974 O HIS A 61 8.186 -0.127 -5.270 1.00 0.00 O ATOM 975 CB HIS A 61 6.487 2.248 -3.624 1.00 0.00 C ATOM 976 CG HIS A 61 7.199 1.397 -2.605 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.544 1.561 -2.311 1.00 0.00 N ATOM 978 CD2 HIS A 61 6.765 0.367 -1.809 1.00 0.00 C ATOM 979 CE1 HIS A 61 8.869 0.651 -1.375 1.00 0.00 C ATOM 980 NE2 HIS A 61 7.821 -0.103 -1.033 1.00 0.00 N ATOM 0 H HIS A 61 6.003 -0.502 -4.681 1.00 0.00 H new ATOM 0 HA HIS A 61 6.116 2.205 -5.747 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.989 3.210 -3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.468 2.453 -3.294 1.00 0.00 H new ATOM 0 HD1 HIS A 61 9.173 2.247 -2.729 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.757 -0.020 -1.788 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.857 0.543 -0.952 1.00 0.00 H new ATOM 989 N ASP A 62 8.727 2.015 -5.695 1.00 0.00 N ATOM 990 CA ASP A 62 10.107 1.701 -6.053 1.00 0.00 C ATOM 991 C ASP A 62 10.996 1.765 -4.817 1.00 0.00 C ATOM 992 O ASP A 62 11.094 2.802 -4.163 1.00 0.00 O ATOM 993 CB ASP A 62 10.618 2.687 -7.102 1.00 0.00 C ATOM 994 CG ASP A 62 11.900 2.159 -7.747 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.122 0.961 -7.684 1.00 0.00 O ATOM 996 OD2 ASP A 62 12.637 2.962 -8.290 1.00 0.00 O ATOM 0 H ASP A 62 8.488 3.005 -5.752 1.00 0.00 H new ATOM 0 HA ASP A 62 10.138 0.693 -6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.856 2.843 -7.866 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.808 3.655 -6.639 1.00 0.00 H new ATOM 1001 N SER A 63 11.639 0.649 -4.501 1.00 0.00 N ATOM 1002 CA SER A 63 12.517 0.587 -3.338 1.00 0.00 C ATOM 1003 C SER A 63 13.603 1.651 -3.425 1.00 0.00 C ATOM 1004 O SER A 63 13.987 2.242 -2.417 1.00 0.00 O ATOM 1005 CB SER A 63 13.162 -0.797 -3.243 1.00 0.00 C ATOM 1006 OG SER A 63 14.288 -0.734 -2.373 1.00 0.00 O ATOM 0 H SER A 63 11.571 -0.221 -5.029 1.00 0.00 H new ATOM 0 HA SER A 63 11.918 0.771 -2.446 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.439 -1.522 -2.869 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.471 -1.135 -4.232 1.00 0.00 H new ATOM 0 HG SER A 63 14.702 -1.620 -2.309 1.00 0.00 H new ATOM 1012 N LEU A 64 14.105 1.884 -4.631 1.00 0.00 N ATOM 1013 CA LEU A 64 15.156 2.868 -4.821 1.00 0.00 C ATOM 1014 C LEU A 64 14.679 4.260 -4.416 1.00 0.00 C ATOM 1015 O LEU A 64 15.343 4.953 -3.647 1.00 0.00 O ATOM 1016 CB LEU A 64 15.570 2.877 -6.301 1.00 0.00 C ATOM 1017 CG LEU A 64 16.527 1.710 -6.583 1.00 0.00 C ATOM 1018 CD1 LEU A 64 17.888 1.931 -5.881 1.00 0.00 C ATOM 1019 CD2 LEU A 64 15.885 0.405 -6.085 1.00 0.00 C ATOM 0 H LEU A 64 13.804 1.409 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 64 16.006 2.602 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.687 2.796 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.053 3.823 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 64 16.707 1.650 -7.656 1.00 0.00 H new ATOM 0 HD11 LEU A 64 18.549 1.091 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 64 18.341 2.852 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.734 2.006 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.558 -0.430 -6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.699 0.477 -5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.942 0.241 -6.607 1.00 0.00 H new ATOM 1031 N LEU A 65 13.531 4.664 -4.939 1.00 0.00 N ATOM 1032 CA LEU A 65 12.991 5.979 -4.623 1.00 0.00 C ATOM 1033 C LEU A 65 12.546 6.038 -3.169 1.00 0.00 C ATOM 1034 O LEU A 65 12.830 7.006 -2.462 1.00 0.00 O ATOM 1035 CB LEU A 65 11.800 6.276 -5.529 1.00 0.00 C ATOM 1036 CG LEU A 65 12.257 6.275 -6.995 1.00 0.00 C ATOM 1037 CD1 LEU A 65 11.038 6.424 -7.910 1.00 0.00 C ATOM 1038 CD2 LEU A 65 13.244 7.434 -7.249 1.00 0.00 C ATOM 0 H LEU A 65 12.961 4.108 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 65 13.771 6.723 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.021 5.528 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.367 7.243 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 65 12.761 5.333 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.362 6.423 -8.951 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.354 5.592 -7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.530 7.362 -7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.560 7.421 -8.292 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.755 8.383 -7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.116 7.318 -6.605 1.00 0.00 H new ATOM 1050 N ILE A 66 11.848 5.000 -2.729 1.00 0.00 N ATOM 1051 CA ILE A 66 11.360 4.941 -1.353 1.00 0.00 C ATOM 1052 C ILE A 66 11.308 3.508 -0.867 1.00 0.00 C ATOM 1053 O ILE A 66 10.821 2.623 -1.569 1.00 0.00 O ATOM 1054 CB ILE A 66 9.967 5.558 -1.267 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.515 5.583 0.193 1.00 0.00 C ATOM 1056 CG2 ILE A 66 8.982 4.727 -2.093 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.243 6.423 0.320 1.00 0.00 C ATOM 0 H ILE A 66 11.606 4.190 -3.300 1.00 0.00 H new ATOM 0 HA ILE A 66 12.047 5.503 -0.721 1.00 0.00 H new ATOM 0 HB ILE A 66 9.996 6.575 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.330 4.568 0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.302 5.999 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.988 5.171 -2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.305 4.709 -3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.950 3.709 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.921 6.441 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.444 7.441 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.456 5.987 -0.296 1.00 0.00 H new ATOM 1069 N SER A 67 11.820 3.279 0.338 1.00 0.00 N ATOM 1070 CA SER A 67 11.836 1.934 0.903 1.00 0.00 C ATOM 1071 C SER A 67 10.581 1.684 1.744 1.00 0.00 C ATOM 1072 O SER A 67 9.899 2.628 2.149 1.00 0.00 O ATOM 1073 CB SER A 67 13.089 1.737 1.772 1.00 0.00 C ATOM 1074 OG SER A 67 12.738 1.818 3.148 1.00 0.00 O ATOM 0 H SER A 67 12.225 3.998 0.937 1.00 0.00 H new ATOM 0 HA SER A 67 11.854 1.220 0.080 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.542 0.769 1.559 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.833 2.497 1.532 1.00 0.00 H new ATOM 0 HG SER A 67 13.539 1.690 3.698 1.00 0.00 H new ATOM 1080 N PRO A 68 10.273 0.438 2.021 1.00 0.00 N ATOM 1081 CA PRO A 68 9.081 0.067 2.846 1.00 0.00 C ATOM 1082 C PRO A 68 9.088 0.747 4.218 1.00 0.00 C ATOM 1083 O PRO A 68 8.037 1.096 4.757 1.00 0.00 O ATOM 1084 CB PRO A 68 9.197 -1.462 2.996 1.00 0.00 C ATOM 1085 CG PRO A 68 10.056 -1.906 1.859 1.00 0.00 C ATOM 1086 CD PRO A 68 11.020 -0.757 1.583 1.00 0.00 C ATOM 0 HA PRO A 68 8.150 0.386 2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.643 -1.730 3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.216 -1.936 2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.598 -2.817 2.113 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.453 -2.129 0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.951 -0.873 2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.283 -0.700 0.527 1.00 0.00 H new ATOM 1094 N PHE A 69 10.279 0.918 4.780 1.00 0.00 N ATOM 1095 CA PHE A 69 10.412 1.537 6.093 1.00 0.00 C ATOM 1096 C PHE A 69 9.770 2.919 6.103 1.00 0.00 C ATOM 1097 O PHE A 69 9.127 3.304 7.079 1.00 0.00 O ATOM 1098 CB PHE A 69 11.892 1.660 6.465 1.00 0.00 C ATOM 1099 CG PHE A 69 12.466 0.288 6.728 1.00 0.00 C ATOM 1100 CD1 PHE A 69 12.382 -0.272 8.010 1.00 0.00 C ATOM 1101 CD2 PHE A 69 13.083 -0.425 5.693 1.00 0.00 C ATOM 1102 CE1 PHE A 69 12.913 -1.544 8.255 1.00 0.00 C ATOM 1103 CE2 PHE A 69 13.614 -1.695 5.938 1.00 0.00 C ATOM 1104 CZ PHE A 69 13.530 -2.255 7.218 1.00 0.00 C ATOM 0 H PHE A 69 11.161 0.639 4.350 1.00 0.00 H new ATOM 0 HA PHE A 69 9.903 0.907 6.822 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.441 2.146 5.658 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.004 2.287 7.349 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.907 0.278 8.809 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.149 0.006 4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.847 -1.976 9.242 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.089 -2.244 5.139 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.941 -3.236 7.406 1.00 0.00 H new ATOM 1114 N GLN A 70 9.948 3.660 5.018 1.00 0.00 N ATOM 1115 CA GLN A 70 9.383 4.996 4.927 1.00 0.00 C ATOM 1116 C GLN A 70 7.860 4.936 4.965 1.00 0.00 C ATOM 1117 O GLN A 70 7.216 5.737 5.641 1.00 0.00 O ATOM 1118 CB GLN A 70 9.836 5.658 3.623 1.00 0.00 C ATOM 1119 CG GLN A 70 9.404 7.125 3.607 1.00 0.00 C ATOM 1120 CD GLN A 70 10.158 7.902 4.681 1.00 0.00 C ATOM 1121 OE1 GLN A 70 11.354 7.687 4.877 1.00 0.00 O ATOM 1122 NE2 GLN A 70 9.528 8.793 5.394 1.00 0.00 N ATOM 0 H GLN A 70 10.474 3.361 4.197 1.00 0.00 H new ATOM 0 HA GLN A 70 9.733 5.581 5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.919 5.588 3.527 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.405 5.134 2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.600 7.560 2.627 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.330 7.198 3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.537 8.970 5.230 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.026 9.314 6.116 1.00 0.00 H new ATOM 1131 N ILE A 71 7.288 3.986 4.232 1.00 0.00 N ATOM 1132 CA ILE A 71 5.838 3.841 4.190 1.00 0.00 C ATOM 1133 C ILE A 71 5.302 3.458 5.567 1.00 0.00 C ATOM 1134 O ILE A 71 4.297 4.000 6.026 1.00 0.00 O ATOM 1135 CB ILE A 71 5.452 2.767 3.170 1.00 0.00 C ATOM 1136 CG1 ILE A 71 5.805 3.257 1.762 1.00 0.00 C ATOM 1137 CG2 ILE A 71 3.945 2.503 3.247 1.00 0.00 C ATOM 1138 CD1 ILE A 71 5.689 2.094 0.774 1.00 0.00 C ATOM 0 H ILE A 71 7.801 3.311 3.664 1.00 0.00 H new ATOM 0 HA ILE A 71 5.401 4.795 3.894 1.00 0.00 H new ATOM 0 HB ILE A 71 5.995 1.847 3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.136 4.066 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.818 3.660 1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.672 1.738 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.686 2.160 4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.403 3.423 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.940 2.442 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.376 1.299 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.668 1.712 0.780 1.00 0.00 H new ATOM 1150 N ALA A 72 5.978 2.520 6.220 1.00 0.00 N ATOM 1151 CA ALA A 72 5.559 2.071 7.542 1.00 0.00 C ATOM 1152 C ALA A 72 5.676 3.201 8.556 1.00 0.00 C ATOM 1153 O ALA A 72 4.809 3.375 9.412 1.00 0.00 O ATOM 1154 CB ALA A 72 6.422 0.892 7.989 1.00 0.00 C ATOM 0 H ALA A 72 6.813 2.058 5.859 1.00 0.00 H new ATOM 0 HA ALA A 72 4.516 1.758 7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.103 0.562 8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.313 0.072 7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.467 1.200 8.029 1.00 0.00 H new ATOM 1160 N LYS A 73 6.755 3.968 8.453 1.00 0.00 N ATOM 1161 CA LYS A 73 6.976 5.081 9.365 1.00 0.00 C ATOM 1162 C LYS A 73 5.885 6.130 9.204 1.00 0.00 C ATOM 1163 O LYS A 73 5.427 6.716 10.183 1.00 0.00 O ATOM 1164 CB LYS A 73 8.339 5.713 9.093 1.00 0.00 C ATOM 1165 CG LYS A 73 8.622 6.793 10.140 1.00 0.00 C ATOM 1166 CD LYS A 73 10.005 7.412 9.895 1.00 0.00 C ATOM 1167 CE LYS A 73 11.110 6.470 10.394 1.00 0.00 C ATOM 1168 NZ LYS A 73 12.402 7.205 10.445 1.00 0.00 N ATOM 0 H LYS A 73 7.485 3.840 7.752 1.00 0.00 H new ATOM 0 HA LYS A 73 6.949 4.701 10.386 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.117 4.950 9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.357 6.148 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.855 7.566 10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.580 6.362 11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.139 7.609 8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.077 8.371 10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.858 6.088 11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.195 5.609 9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.151 6.567 10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.643 7.549 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.316 8.013 11.094 1.00 0.00 H new ATOM 1182 N ALA A 74 5.475 6.365 7.961 1.00 0.00 N ATOM 1183 CA ALA A 74 4.440 7.354 7.687 1.00 0.00 C ATOM 1184 C ALA A 74 3.122 6.945 8.339 1.00 0.00 C ATOM 1185 O ALA A 74 2.400 7.779 8.881 1.00 0.00 O ATOM 1186 CB ALA A 74 4.245 7.494 6.174 1.00 0.00 C ATOM 0 H ALA A 74 5.840 5.889 7.136 1.00 0.00 H new ATOM 0 HA ALA A 74 4.754 8.311 8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.470 8.234 5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.180 7.814 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.945 6.533 5.755 1.00 0.00 H new ATOM 1192 N LEU A 75 2.820 5.654 8.281 1.00 0.00 N ATOM 1193 CA LEU A 75 1.590 5.137 8.870 1.00 0.00 C ATOM 1194 C LEU A 75 1.607 5.302 10.386 1.00 0.00 C ATOM 1195 O LEU A 75 0.587 5.620 10.998 1.00 0.00 O ATOM 1196 CB LEU A 75 1.421 3.661 8.517 1.00 0.00 C ATOM 1197 CG LEU A 75 1.170 3.518 7.007 1.00 0.00 C ATOM 1198 CD1 LEU A 75 1.211 2.035 6.622 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -0.201 4.122 6.622 1.00 0.00 C ATOM 0 H LEU A 75 3.406 4.948 7.835 1.00 0.00 H new ATOM 0 HA LEU A 75 0.752 5.705 8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.313 3.104 8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.588 3.236 9.076 1.00 0.00 H new ATOM 0 HG LEU A 75 1.948 4.059 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.033 1.932 5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.189 1.622 6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.440 1.495 7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.359 4.011 5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.992 3.602 7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.219 5.180 6.883 1.00 0.00 H new ATOM 1211 N ASN A 76 2.769 5.077 10.982 1.00 0.00 N ATOM 1212 CA ASN A 76 2.911 5.194 12.428 1.00 0.00 C ATOM 1213 C ASN A 76 2.598 6.617 12.883 1.00 0.00 C ATOM 1214 O ASN A 76 1.980 6.821 13.927 1.00 0.00 O ATOM 1215 CB ASN A 76 4.337 4.822 12.843 1.00 0.00 C ATOM 1216 CG ASN A 76 4.518 3.308 12.802 1.00 0.00 C ATOM 1217 OD1 ASN A 76 3.857 2.583 13.546 1.00 0.00 O ATOM 1218 ND2 ASN A 76 5.377 2.785 11.972 1.00 0.00 N ATOM 0 H ASN A 76 3.623 4.814 10.491 1.00 0.00 H new ATOM 0 HA ASN A 76 2.206 4.511 12.902 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.054 5.300 12.176 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.540 5.193 13.848 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.502 1.773 11.938 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.923 3.388 11.357 1.00 0.00 H new ATOM 1225 N GLU A 77 3.029 7.593 12.095 1.00 0.00 N ATOM 1226 CA GLU A 77 2.789 8.992 12.431 1.00 0.00 C ATOM 1227 C GLU A 77 1.303 9.239 12.668 1.00 0.00 C ATOM 1228 O GLU A 77 0.926 10.008 13.554 1.00 0.00 O ATOM 1229 CB GLU A 77 3.284 9.894 11.299 1.00 0.00 C ATOM 1230 CG GLU A 77 4.812 9.856 11.244 1.00 0.00 C ATOM 1231 CD GLU A 77 5.311 10.659 10.048 1.00 0.00 C ATOM 1232 OE1 GLU A 77 4.482 11.183 9.323 1.00 0.00 O ATOM 1233 OE2 GLU A 77 6.516 10.735 9.872 1.00 0.00 O ATOM 0 H GLU A 77 3.542 7.445 11.226 1.00 0.00 H new ATOM 0 HA GLU A 77 3.335 9.225 13.345 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.867 9.563 10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.941 10.916 11.458 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.227 10.264 12.165 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.156 8.824 11.169 1.00 0.00 H new ATOM 1240 N ALA A 78 0.464 8.582 11.876 1.00 0.00 N ATOM 1241 CA ALA A 78 -0.982 8.734 12.011 1.00 0.00 C ATOM 1242 C ALA A 78 -1.516 7.833 13.121 1.00 0.00 C ATOM 1243 O ALA A 78 -2.722 7.618 13.233 1.00 0.00 O ATOM 1244 CB ALA A 78 -1.670 8.383 10.692 1.00 0.00 C ATOM 0 H ALA A 78 0.756 7.942 11.137 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.196 9.772 12.267 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.748 8.499 10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.312 9.048 9.906 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.442 7.351 10.426 1.00 0.00 H new ATOM 1250 N ARG A 79 -0.606 7.309 13.939 1.00 0.00 N ATOM 1251 CA ARG A 79 -0.994 6.433 15.040 1.00 0.00 C ATOM 1252 C ARG A 79 -1.771 5.236 14.518 1.00 0.00 C ATOM 1253 O ARG A 79 -2.522 4.598 15.254 1.00 0.00 O ATOM 1254 CB ARG A 79 -1.859 7.204 16.039 1.00 0.00 C ATOM 1255 CG ARG A 79 -1.204 8.554 16.352 1.00 0.00 C ATOM 1256 CD ARG A 79 0.178 8.330 16.970 1.00 0.00 C ATOM 1257 NE ARG A 79 0.116 7.271 17.973 1.00 0.00 N ATOM 1258 CZ ARG A 79 -0.279 7.526 19.217 1.00 0.00 C ATOM 1259 NH1 ARG A 79 -0.618 8.738 19.557 1.00 0.00 N ATOM 1260 NH2 ARG A 79 -0.330 6.561 20.095 1.00 0.00 N ATOM 0 H ARG A 79 0.397 7.474 13.861 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.090 6.080 15.536 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.857 7.359 15.628 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -1.978 6.625 16.955 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.113 9.144 15.440 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.831 9.122 17.039 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.893 8.063 16.192 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.534 9.253 17.427 1.00 0.00 H new ATOM 0 HE ARG A 79 0.380 6.320 17.715 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.580 9.490 18.869 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.921 8.934 20.511 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.067 5.613 19.826 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.633 6.755 21.049 1.00 0.00 H new ATOM 1274 N LEU A 80 -1.585 4.935 13.239 1.00 0.00 N ATOM 1275 CA LEU A 80 -2.277 3.808 12.626 1.00 0.00 C ATOM 1276 C LEU A 80 -1.583 2.497 12.970 1.00 0.00 C ATOM 1277 O LEU A 80 -2.158 1.421 12.814 1.00 0.00 O ATOM 1278 CB LEU A 80 -2.318 3.983 11.104 1.00 0.00 C ATOM 1279 CG LEU A 80 -3.452 3.125 10.504 1.00 0.00 C ATOM 1280 CD1 LEU A 80 -4.787 3.881 10.583 1.00 0.00 C ATOM 1281 CD2 LEU A 80 -3.139 2.814 9.036 1.00 0.00 C ATOM 0 H LEU A 80 -0.967 5.449 12.611 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.294 3.778 13.016 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.474 5.033 10.855 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.362 3.691 10.670 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.529 2.198 11.072 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.579 3.266 10.157 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.019 4.101 11.625 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.711 4.813 10.023 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.941 2.208 8.614 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.055 3.746 8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.198 2.267 8.973 1.00 0.00 H new ATOM 1293 N GLU A 81 -0.343 2.597 13.433 1.00 0.00 N ATOM 1294 CA GLU A 81 0.425 1.415 13.790 1.00 0.00 C ATOM 1295 C GLU A 81 0.506 0.454 12.612 1.00 0.00 C ATOM 1296 O GLU A 81 -0.478 -0.192 12.254 1.00 0.00 O ATOM 1297 CB GLU A 81 -0.229 0.705 14.981 1.00 0.00 C ATOM 1298 CG GLU A 81 -0.243 1.642 16.190 1.00 0.00 C ATOM 1299 CD GLU A 81 1.183 1.942 16.637 1.00 0.00 C ATOM 1300 OE1 GLU A 81 2.065 1.178 16.283 1.00 0.00 O ATOM 1301 OE2 GLU A 81 1.371 2.929 17.328 1.00 0.00 O ATOM 0 H GLU A 81 0.149 3.480 13.569 1.00 0.00 H new ATOM 0 HA GLU A 81 1.433 1.730 14.061 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.246 0.408 14.727 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.319 -0.206 15.220 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.755 2.570 15.935 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.800 1.185 17.008 1.00 0.00 H new ATOM 1308 N ALA A 82 1.689 0.365 12.007 1.00 0.00 N ATOM 1309 CA ALA A 82 1.893 -0.521 10.863 1.00 0.00 C ATOM 1310 C ALA A 82 3.324 -1.048 10.841 1.00 0.00 C ATOM 1311 O ALA A 82 4.253 -0.365 11.274 1.00 0.00 O ATOM 1312 CB ALA A 82 1.604 0.234 9.563 1.00 0.00 C ATOM 0 H ALA A 82 2.516 0.892 12.288 1.00 0.00 H new ATOM 0 HA ALA A 82 1.210 -1.366 10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.758 -0.432 8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.572 0.584 9.567 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.276 1.088 9.481 1.00 0.00 H new ATOM 1318 N ASN A 83 3.493 -2.266 10.336 1.00 0.00 N ATOM 1319 CA ASN A 83 4.818 -2.877 10.260 1.00 0.00 C ATOM 1320 C ASN A 83 4.883 -3.861 9.098 1.00 0.00 C ATOM 1321 O ASN A 83 3.888 -4.492 8.748 1.00 0.00 O ATOM 1322 CB ASN A 83 5.133 -3.603 11.568 1.00 0.00 C ATOM 1323 CG ASN A 83 4.034 -4.614 11.880 1.00 0.00 C ATOM 1324 OD1 ASN A 83 3.901 -5.622 11.187 1.00 0.00 O ATOM 1325 ND2 ASN A 83 3.234 -4.403 12.890 1.00 0.00 N ATOM 0 H ASN A 83 2.736 -2.847 9.975 1.00 0.00 H new ATOM 0 HA ASN A 83 5.555 -2.091 10.097 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.094 -4.111 11.490 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.218 -2.883 12.382 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.497 -5.074 13.106 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.346 -3.567 13.463 1.00 0.00 H new ATOM 1332 N VAL A 84 6.064 -3.986 8.505 1.00 0.00 N ATOM 1333 CA VAL A 84 6.254 -4.894 7.382 1.00 0.00 C ATOM 1334 C VAL A 84 6.276 -6.338 7.865 1.00 0.00 C ATOM 1335 O VAL A 84 6.926 -6.658 8.861 1.00 0.00 O ATOM 1336 CB VAL A 84 7.564 -4.578 6.661 1.00 0.00 C ATOM 1337 CG1 VAL A 84 7.816 -5.617 5.565 1.00 0.00 C ATOM 1338 CG2 VAL A 84 7.472 -3.187 6.032 1.00 0.00 C ATOM 0 H VAL A 84 6.901 -3.472 8.782 1.00 0.00 H new ATOM 0 HA VAL A 84 5.422 -4.761 6.690 1.00 0.00 H new ATOM 0 HB VAL A 84 8.386 -4.604 7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.751 -5.387 5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.881 -6.609 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.996 -5.595 4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.405 -2.958 5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.648 -3.164 5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.297 -2.446 6.812 1.00 0.00 H new ATOM 1348 N ARG A 85 5.565 -7.208 7.155 1.00 0.00 N ATOM 1349 CA ARG A 85 5.511 -8.619 7.521 1.00 0.00 C ATOM 1350 C ARG A 85 6.882 -9.116 7.960 1.00 0.00 C ATOM 1351 O ARG A 85 7.850 -9.050 7.200 1.00 0.00 O ATOM 1352 CB ARG A 85 5.026 -9.445 6.326 1.00 0.00 C ATOM 1353 CG ARG A 85 3.518 -9.228 6.107 1.00 0.00 C ATOM 1354 CD ARG A 85 2.712 -10.164 7.015 1.00 0.00 C ATOM 1355 NE ARG A 85 1.291 -10.032 6.739 1.00 0.00 N ATOM 1356 CZ ARG A 85 0.401 -10.758 7.401 1.00 0.00 C ATOM 1357 NH1 ARG A 85 0.797 -11.603 8.314 1.00 0.00 N ATOM 1358 NH2 ARG A 85 -0.868 -10.627 7.139 1.00 0.00 N ATOM 0 H ARG A 85 5.021 -6.963 6.328 1.00 0.00 H new ATOM 0 HA ARG A 85 4.816 -8.733 8.353 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.576 -9.159 5.430 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.227 -10.502 6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.258 -8.191 6.319 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.264 -9.414 5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.026 -11.196 6.856 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.910 -9.928 8.060 1.00 0.00 H new ATOM 0 HE ARG A 85 0.975 -9.373 6.028 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.791 -11.705 8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.112 -12.162 8.823 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.176 -9.967 6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.554 -11.185 7.647 1.00 0.00 H new ATOM 1372 N VAL A 86 6.959 -9.612 9.192 1.00 0.00 N ATOM 1373 CA VAL A 86 8.218 -10.116 9.731 1.00 0.00 C ATOM 1374 C VAL A 86 7.977 -11.383 10.545 1.00 0.00 C ATOM 1375 O VAL A 86 6.913 -11.568 11.133 1.00 0.00 O ATOM 1376 CB VAL A 86 8.866 -9.049 10.618 1.00 0.00 C ATOM 1377 CG1 VAL A 86 7.858 -8.570 11.666 1.00 0.00 C ATOM 1378 CG2 VAL A 86 10.093 -9.638 11.316 1.00 0.00 C ATOM 0 H VAL A 86 6.168 -9.675 9.833 1.00 0.00 H new ATOM 0 HA VAL A 86 8.885 -10.352 8.901 1.00 0.00 H new ATOM 0 HB VAL A 86 9.173 -8.204 10.001 1.00 0.00 H new ATOM 0 HG11 VAL A 86 8.321 -7.811 12.296 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.988 -8.145 11.166 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.546 -9.413 12.283 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.553 -8.877 11.947 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.790 -10.485 11.931 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.812 -9.972 10.568 1.00 0.00 H new ATOM 1388 N ASN A 87 8.980 -12.253 10.571 1.00 0.00 N ATOM 1389 CA ASN A 87 8.877 -13.502 11.316 1.00 0.00 C ATOM 1390 C ASN A 87 8.722 -13.221 12.806 1.00 0.00 C ATOM 1391 O ASN A 87 9.301 -12.271 13.335 1.00 0.00 O ATOM 1392 CB ASN A 87 10.126 -14.354 11.079 1.00 0.00 C ATOM 1393 CG ASN A 87 11.375 -13.576 11.484 1.00 0.00 C ATOM 1394 OD1 ASN A 87 11.410 -12.964 12.551 1.00 0.00 O ATOM 1395 ND2 ASN A 87 12.410 -13.564 10.688 1.00 0.00 N ATOM 0 H ASN A 87 9.868 -12.118 10.088 1.00 0.00 H new ATOM 0 HA ASN A 87 7.998 -14.044 10.967 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.061 -15.277 11.654 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.189 -14.637 10.028 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.249 -13.047 10.950 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.379 -14.072 9.804 1.00 0.00 H new ATOM 1402 N GLY A 88 7.936 -14.050 13.478 1.00 0.00 N ATOM 1403 CA GLY A 88 7.710 -13.882 14.908 1.00 0.00 C ATOM 1404 C GLY A 88 6.950 -15.073 15.475 1.00 0.00 C ATOM 1405 O GLY A 88 6.516 -15.954 14.733 1.00 0.00 O ATOM 0 H GLY A 88 7.446 -14.841 13.060 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.665 -13.775 15.422 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.147 -12.966 15.087 1.00 0.00 H new ATOM 1409 N GLU A 89 6.790 -15.097 16.796 1.00 0.00 N ATOM 1410 CA GLU A 89 6.078 -16.187 17.464 1.00 0.00 C ATOM 1411 C GLU A 89 5.019 -15.628 18.404 1.00 0.00 C ATOM 1412 O GLU A 89 5.280 -14.695 19.164 1.00 0.00 O ATOM 1413 CB GLU A 89 7.063 -17.043 18.261 1.00 0.00 C ATOM 1414 CG GLU A 89 6.331 -18.251 18.851 1.00 0.00 C ATOM 1415 CD GLU A 89 7.305 -19.124 19.629 1.00 0.00 C ATOM 1416 OE1 GLU A 89 8.500 -18.924 19.479 1.00 0.00 O ATOM 1417 OE2 GLU A 89 6.845 -19.978 20.367 1.00 0.00 O ATOM 0 H GLU A 89 7.143 -14.376 17.425 1.00 0.00 H new ATOM 0 HA GLU A 89 5.594 -16.801 16.705 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.876 -17.377 17.616 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.512 -16.451 19.059 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.528 -17.915 19.507 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.868 -18.831 18.053 1.00 0.00 H new ATOM 1424 N THR A 90 3.820 -16.203 18.345 1.00 0.00 N ATOM 1425 CA THR A 90 2.717 -15.759 19.196 1.00 0.00 C ATOM 1426 C THR A 90 1.983 -16.959 19.779 1.00 0.00 C ATOM 1427 O THR A 90 2.063 -18.066 19.246 1.00 0.00 O ATOM 1428 CB THR A 90 1.738 -14.907 18.381 1.00 0.00 C ATOM 1429 OG1 THR A 90 0.861 -15.759 17.659 1.00 0.00 O ATOM 1430 CG2 THR A 90 2.521 -14.029 17.403 1.00 0.00 C ATOM 0 H THR A 90 3.587 -16.974 17.720 1.00 0.00 H new ATOM 0 HA THR A 90 3.126 -15.162 20.011 1.00 0.00 H new ATOM 0 HB THR A 90 1.158 -14.273 19.052 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.233 -15.216 17.138 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.826 -13.422 16.822 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.195 -13.377 17.959 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.100 -14.661 16.730 1.00 0.00 H new ATOM 1438 N SER A 91 1.268 -16.733 20.878 1.00 0.00 N ATOM 1439 CA SER A 91 0.519 -17.803 21.535 1.00 0.00 C ATOM 1440 C SER A 91 -0.777 -17.261 22.120 1.00 0.00 C ATOM 1441 O SER A 91 -0.797 -16.180 22.708 1.00 0.00 O ATOM 1442 CB SER A 91 1.363 -18.423 22.646 1.00 0.00 C ATOM 1443 OG SER A 91 0.626 -19.465 23.269 1.00 0.00 O ATOM 0 H SER A 91 1.191 -15.823 21.332 1.00 0.00 H new ATOM 0 HA SER A 91 0.280 -18.566 20.794 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.294 -18.815 22.236 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.633 -17.664 23.380 1.00 0.00 H new ATOM 0 HG SER A 91 1.166 -19.866 23.982 1.00 0.00 H new ATOM 1449 N PHE A 92 -1.858 -18.020 21.953 1.00 0.00 N ATOM 1450 CA PHE A 92 -3.162 -17.610 22.466 1.00 0.00 C ATOM 1451 C PHE A 92 -3.378 -16.115 22.243 1.00 0.00 C ATOM 1452 O PHE A 92 -2.666 -15.486 21.459 1.00 0.00 O ATOM 1453 CB PHE A 92 -3.253 -17.919 23.961 1.00 0.00 C ATOM 1454 CG PHE A 92 -3.314 -19.415 24.161 1.00 0.00 C ATOM 1455 CD1 PHE A 92 -4.510 -20.101 23.926 1.00 0.00 C ATOM 1456 CD2 PHE A 92 -2.174 -20.113 24.580 1.00 0.00 C ATOM 1457 CE1 PHE A 92 -4.569 -21.487 24.112 1.00 0.00 C ATOM 1458 CE2 PHE A 92 -2.234 -21.498 24.767 1.00 0.00 C ATOM 1459 CZ PHE A 92 -3.431 -22.187 24.532 1.00 0.00 C ATOM 0 H PHE A 92 -1.857 -18.918 21.469 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.934 -18.163 21.931 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.389 -17.506 24.482 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.138 -17.447 24.388 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.387 -19.562 23.601 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.250 -19.583 24.758 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.493 -22.017 23.932 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.357 -22.037 25.093 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.476 -23.257 24.675 1.00 0.00 H new ATOM 1469 N LYS A 93 -4.366 -15.550 22.932 1.00 0.00 N ATOM 1470 CA LYS A 93 -4.665 -14.127 22.801 1.00 0.00 C ATOM 1471 C LYS A 93 -5.003 -13.526 24.160 1.00 0.00 C ATOM 1472 O LYS A 93 -6.061 -13.803 24.726 1.00 0.00 O ATOM 1473 CB LYS A 93 -5.842 -13.931 21.852 1.00 0.00 C ATOM 1474 CG LYS A 93 -5.432 -14.341 20.433 1.00 0.00 C ATOM 1475 CD LYS A 93 -6.628 -14.200 19.477 1.00 0.00 C ATOM 1476 CE LYS A 93 -6.739 -12.752 18.985 1.00 0.00 C ATOM 1477 NZ LYS A 93 -5.483 -12.380 18.277 1.00 0.00 N ATOM 0 H LYS A 93 -4.970 -16.052 23.583 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.785 -13.623 22.401 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.692 -14.528 22.183 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.161 -12.889 21.862 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.607 -13.717 20.090 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.075 -15.371 20.432 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.507 -14.873 18.628 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.547 -14.491 19.986 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.593 -12.647 18.316 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.909 -12.081 19.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.704 -11.728 17.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.834 -11.915 18.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.033 -13.236 17.895 1.00 0.00 H new ATOM 1491 N ASN A 94 -4.098 -12.706 24.675 1.00 0.00 N ATOM 1492 CA ASN A 94 -4.307 -12.067 25.968 1.00 0.00 C ATOM 1493 C ASN A 94 -5.518 -11.146 25.920 1.00 0.00 C ATOM 1494 O ASN A 94 -6.305 -11.089 26.865 1.00 0.00 O ATOM 1495 CB ASN A 94 -3.068 -11.267 26.367 1.00 0.00 C ATOM 1496 CG ASN A 94 -1.930 -12.213 26.725 1.00 0.00 C ATOM 1497 OD1 ASN A 94 -2.164 -13.389 27.005 1.00 0.00 O ATOM 1498 ND2 ASN A 94 -0.702 -11.771 26.733 1.00 0.00 N ATOM 0 H ASN A 94 -3.216 -12.468 24.221 1.00 0.00 H new ATOM 0 HA ASN A 94 -4.486 -12.845 26.710 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.766 -10.616 25.547 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -3.298 -10.624 27.217 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.065 -12.400 26.971 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.509 -10.797 26.501 1.00 0.00 H new ATOM 1505 N LYS A 95 -5.662 -10.418 24.813 1.00 0.00 N ATOM 1506 CA LYS A 95 -6.783 -9.490 24.646 1.00 0.00 C ATOM 1507 C LYS A 95 -7.405 -9.650 23.263 1.00 0.00 C ATOM 1508 O LYS A 95 -6.721 -9.993 22.299 1.00 0.00 O ATOM 1509 CB LYS A 95 -6.299 -8.051 24.825 1.00 0.00 C ATOM 1510 CG LYS A 95 -5.821 -7.850 26.265 1.00 0.00 C ATOM 1511 CD LYS A 95 -5.336 -6.412 26.446 1.00 0.00 C ATOM 1512 CE LYS A 95 -4.840 -6.216 27.880 1.00 0.00 C ATOM 1513 NZ LYS A 95 -4.360 -4.816 28.052 1.00 0.00 N ATOM 0 H LYS A 95 -5.020 -10.452 24.021 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.536 -9.717 25.401 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.488 -7.839 24.128 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.105 -7.354 24.597 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.632 -8.062 26.961 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.015 -8.548 26.493 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.534 -6.196 25.740 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.146 -5.714 26.232 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.644 -6.426 28.586 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.034 -6.917 28.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.023 -4.682 29.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.581 -4.632 27.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.141 -4.156 27.862 1.00 0.00 H new ATOM 1527 N TRP A 96 -8.708 -9.401 23.176 1.00 0.00 N ATOM 1528 CA TRP A 96 -9.418 -9.521 21.908 1.00 0.00 C ATOM 1529 C TRP A 96 -9.014 -10.805 21.186 1.00 0.00 C ATOM 1530 O TRP A 96 -8.884 -10.763 19.974 1.00 0.00 O ATOM 1531 CB TRP A 96 -9.106 -8.313 21.022 1.00 0.00 C ATOM 1532 CG TRP A 96 -9.969 -8.356 19.801 1.00 0.00 C ATOM 1533 CD1 TRP A 96 -9.537 -8.658 18.555 1.00 0.00 C ATOM 1534 CD2 TRP A 96 -11.398 -8.095 19.689 1.00 0.00 C ATOM 1535 NE1 TRP A 96 -10.612 -8.600 17.684 1.00 0.00 N ATOM 1536 CE2 TRP A 96 -11.780 -8.255 18.336 1.00 0.00 C ATOM 1537 CE3 TRP A 96 -12.390 -7.737 20.619 1.00 0.00 C ATOM 1538 CZ2 TRP A 96 -13.098 -8.069 17.920 1.00 0.00 C ATOM 1539 CZ3 TRP A 96 -13.719 -7.547 20.206 1.00 0.00 C ATOM 1540 CH2 TRP A 96 -14.072 -7.714 18.859 1.00 0.00 C ATOM 1541 OXT TRP A 96 -8.841 -11.808 21.857 1.00 0.00 O ATOM 0 H TRP A 96 -9.290 -9.117 23.964 1.00 0.00 H new ATOM 0 HA TRP A 96 -10.488 -9.556 22.112 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -9.282 -7.389 21.573 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -8.054 -8.319 20.737 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -8.521 -8.904 18.284 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -10.549 -8.789 16.684 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -12.128 -7.607 21.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -13.364 -8.198 16.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -14.472 -7.271 20.929 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -15.096 -7.569 18.547 1.00 0.00 H new TER 1552 TRP A 96 HETATM 1553 ZN ZN A 201 -11.562 4.863 12.023 1.00 0.00 ZN HETATM 1554 O HOH A 301 -11.795 7.017 12.376 1.00 0.00 O