USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=22 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 -36:sc= 0.362 USER MOD Set 1.2: A 56 THR OG1 : rot 59:sc= 0.949 USER MOD Set 2.1: A 40 LYS NZ :NH3+ 147:sc= 0.0688 (180deg=-0.986) USER MOD Set 2.2: A 48 TYR OH : rot 180:sc= 0.848 USER MOD Single : A 4 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.56) USER MOD Single : A 5 ASN : amide:sc= -8.63! K(o=-8.6!,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.024 (180deg=-0.358) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= -0.136 (180deg=-0.478) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.0172 (180deg=-0.291) USER MOD Single : A 12 LYS NZ :NH3+ 166:sc=-0.00725 (180deg=-0.211) USER MOD Single : A 14 LYS NZ :NH3+ 134:sc= -0.024 (180deg=-0.487) USER MOD Single : A 15 LYS NZ :NH3+ -145:sc= -0.173 (180deg=-1.12!) USER MOD Single : A 17 GLN : amide:sc= -0.254 K(o=-0.25,f=-0.91) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -26:sc= -0.988! USER MOD Single : A 37 ASN : amide:sc= -1.79 K(o=-1.8,f=-3.7!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= -0.0487 (180deg=-0.397) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -2.81! C(o=-2.8!,f=-5.5!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -14.6! C(o=-15!,f=-6.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.615 K(o=0.61,f=-9!) USER MOD Single : A 83 ASN : amide:sc= -1.14 X(o=-1.1,f=-1) USER MOD Single : A 87 ASN : amide:sc= -0.0448 K(o=-0.045,f=-1.7!) USER MOD Single : A 90 THR OG1 : rot 25:sc= 0.44 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.0257 K(o=-0.026,f=-0.92) USER MOD Single : A 95 LYS NZ :NH3+ -162:sc=-0.00718 (180deg=-0.355) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -18.181 5.154 -10.488 1.00 0.00 N ATOM 2 CA ALA A 2 -18.163 5.040 -9.003 1.00 0.00 C ATOM 3 C ALA A 2 -17.153 6.027 -8.430 1.00 0.00 C ATOM 4 O ALA A 2 -16.288 6.531 -9.147 1.00 0.00 O ATOM 5 CB ALA A 2 -17.780 3.611 -8.609 1.00 0.00 C ATOM 0 HA ALA A 2 -19.151 5.269 -8.604 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.766 3.525 -7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.509 2.913 -9.019 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.792 3.377 -9.004 1.00 0.00 H new ATOM 13 N LEU A 3 -17.270 6.301 -7.136 1.00 0.00 N ATOM 14 CA LEU A 3 -16.363 7.233 -6.475 1.00 0.00 C ATOM 15 C LEU A 3 -14.933 6.705 -6.512 1.00 0.00 C ATOM 16 O LEU A 3 -13.986 7.459 -6.742 1.00 0.00 O ATOM 17 CB LEU A 3 -16.796 7.437 -5.022 1.00 0.00 C ATOM 18 CG LEU A 3 -18.282 7.810 -4.973 1.00 0.00 C ATOM 19 CD1 LEU A 3 -18.715 7.975 -3.514 1.00 0.00 C ATOM 20 CD2 LEU A 3 -18.522 9.123 -5.736 1.00 0.00 C ATOM 0 H LEU A 3 -17.979 5.894 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 3 -16.400 8.186 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.621 6.527 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -16.198 8.224 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 3 -18.867 7.018 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -19.772 8.240 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -18.557 7.038 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -18.126 8.764 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -19.581 9.379 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -17.938 9.921 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -18.218 9.000 -6.776 1.00 0.00 H new ATOM 32 N GLN A 4 -14.783 5.405 -6.287 1.00 0.00 N ATOM 33 CA GLN A 4 -13.464 4.785 -6.298 1.00 0.00 C ATOM 34 C GLN A 4 -12.866 4.826 -7.700 1.00 0.00 C ATOM 35 O GLN A 4 -13.581 4.711 -8.696 1.00 0.00 O ATOM 36 CB GLN A 4 -13.564 3.334 -5.825 1.00 0.00 C ATOM 37 CG GLN A 4 -14.070 3.295 -4.380 1.00 0.00 C ATOM 38 CD GLN A 4 -13.049 3.937 -3.447 1.00 0.00 C ATOM 39 OE1 GLN A 4 -11.852 3.667 -3.555 1.00 0.00 O ATOM 40 NE2 GLN A 4 -13.451 4.774 -2.530 1.00 0.00 N ATOM 0 H GLN A 4 -15.553 4.764 -6.096 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.815 5.342 -5.622 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -14.241 2.776 -6.472 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.589 2.852 -5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -15.022 3.821 -4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -14.251 2.263 -4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.443 4.996 -2.442 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.774 5.206 -1.901 1.00 0.00 H new ATOM 49 N ASN A 5 -11.549 4.995 -7.771 1.00 0.00 N ATOM 50 CA ASN A 5 -10.863 5.055 -9.056 1.00 0.00 C ATOM 51 C ASN A 5 -10.738 3.659 -9.659 1.00 0.00 C ATOM 52 O ASN A 5 -10.119 2.772 -9.071 1.00 0.00 O ATOM 53 CB ASN A 5 -9.472 5.663 -8.879 1.00 0.00 C ATOM 54 CG ASN A 5 -8.842 5.930 -10.242 1.00 0.00 C ATOM 55 OD1 ASN A 5 -7.671 6.299 -10.324 1.00 0.00 O ATOM 56 ND2 ASN A 5 -9.553 5.762 -11.323 1.00 0.00 N ATOM 0 H ASN A 5 -10.939 5.092 -6.959 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.447 5.681 -9.731 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.542 6.592 -8.313 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.841 4.986 -8.304 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.138 5.937 -12.238 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.523 5.456 -11.253 1.00 0.00 H new ATOM 63 N LYS A 6 -11.333 3.471 -10.832 1.00 0.00 N ATOM 64 CA LYS A 6 -11.284 2.177 -11.504 1.00 0.00 C ATOM 65 C LYS A 6 -9.933 1.980 -12.185 1.00 0.00 C ATOM 66 O LYS A 6 -9.582 0.867 -12.577 1.00 0.00 O ATOM 67 CB LYS A 6 -12.401 2.089 -12.546 1.00 0.00 C ATOM 68 CG LYS A 6 -13.759 2.096 -11.840 1.00 0.00 C ATOM 69 CD LYS A 6 -14.877 2.042 -12.883 1.00 0.00 C ATOM 70 CE LYS A 6 -16.233 2.124 -12.181 1.00 0.00 C ATOM 71 NZ LYS A 6 -16.439 0.906 -11.349 1.00 0.00 N ATOM 0 H LYS A 6 -11.851 4.192 -11.334 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.420 1.394 -10.758 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.334 2.929 -13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.291 1.180 -13.137 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.835 1.243 -11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.859 2.994 -11.230 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.770 2.866 -13.589 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.808 1.119 -13.458 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -16.277 3.016 -11.556 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.031 2.212 -12.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.444 0.826 -11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.151 0.065 -11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.866 0.976 -10.484 1.00 0.00 H new ATOM 85 N GLU A 7 -9.179 3.066 -12.321 1.00 0.00 N ATOM 86 CA GLU A 7 -7.867 2.999 -12.955 1.00 0.00 C ATOM 87 C GLU A 7 -6.894 2.197 -12.097 1.00 0.00 C ATOM 88 O GLU A 7 -6.070 1.442 -12.616 1.00 0.00 O ATOM 89 CB GLU A 7 -7.316 4.412 -13.170 1.00 0.00 C ATOM 90 CG GLU A 7 -8.157 5.132 -14.226 1.00 0.00 C ATOM 91 CD GLU A 7 -7.658 6.562 -14.399 1.00 0.00 C ATOM 92 OE1 GLU A 7 -6.680 6.910 -13.760 1.00 0.00 O ATOM 93 OE2 GLU A 7 -8.264 7.289 -15.171 1.00 0.00 O ATOM 0 H GLU A 7 -9.451 3.996 -12.003 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.977 2.501 -13.918 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.336 4.968 -12.233 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.275 4.363 -13.490 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.098 4.600 -15.175 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.205 5.137 -13.927 1.00 0.00 H new ATOM 100 N GLU A 8 -6.995 2.366 -10.784 1.00 0.00 N ATOM 101 CA GLU A 8 -6.118 1.656 -9.859 1.00 0.00 C ATOM 102 C GLU A 8 -6.372 0.153 -9.931 1.00 0.00 C ATOM 103 O GLU A 8 -5.482 -0.650 -9.649 1.00 0.00 O ATOM 104 CB GLU A 8 -6.354 2.150 -8.429 1.00 0.00 C ATOM 105 CG GLU A 8 -5.967 3.628 -8.322 1.00 0.00 C ATOM 106 CD GLU A 8 -4.467 3.797 -8.544 1.00 0.00 C ATOM 107 OE1 GLU A 8 -3.751 2.820 -8.394 1.00 0.00 O ATOM 108 OE2 GLU A 8 -4.055 4.901 -8.859 1.00 0.00 O ATOM 0 H GLU A 8 -7.671 2.985 -10.337 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.084 1.853 -10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.401 2.018 -8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.765 1.558 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.519 4.210 -9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.243 4.014 -7.340 1.00 0.00 H new ATOM 115 N GLU A 9 -7.591 -0.218 -10.306 1.00 0.00 N ATOM 116 CA GLU A 9 -7.950 -1.627 -10.408 1.00 0.00 C ATOM 117 C GLU A 9 -7.101 -2.316 -11.474 1.00 0.00 C ATOM 118 O GLU A 9 -6.743 -3.486 -11.334 1.00 0.00 O ATOM 119 CB GLU A 9 -9.433 -1.762 -10.767 1.00 0.00 C ATOM 120 CG GLU A 9 -9.866 -3.224 -10.632 1.00 0.00 C ATOM 121 CD GLU A 9 -9.893 -3.623 -9.161 1.00 0.00 C ATOM 122 OE1 GLU A 9 -9.979 -2.735 -8.328 1.00 0.00 O ATOM 123 OE2 GLU A 9 -9.827 -4.809 -8.886 1.00 0.00 O ATOM 0 H GLU A 9 -8.341 0.431 -10.543 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.765 -2.104 -9.446 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.035 -1.133 -10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.603 -1.415 -11.786 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.853 -3.362 -11.074 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.178 -3.868 -11.180 1.00 0.00 H new ATOM 130 N LYS A 10 -6.781 -1.583 -12.534 1.00 0.00 N ATOM 131 CA LYS A 10 -5.974 -2.132 -13.619 1.00 0.00 C ATOM 132 C LYS A 10 -4.586 -2.513 -13.114 1.00 0.00 C ATOM 133 O LYS A 10 -4.010 -1.825 -12.272 1.00 0.00 O ATOM 134 CB LYS A 10 -5.843 -1.108 -14.748 1.00 0.00 C ATOM 135 CG LYS A 10 -5.146 -1.757 -15.945 1.00 0.00 C ATOM 136 CD LYS A 10 -5.098 -0.766 -17.108 1.00 0.00 C ATOM 137 CE LYS A 10 -4.446 -1.430 -18.321 1.00 0.00 C ATOM 138 NZ LYS A 10 -3.015 -1.723 -18.023 1.00 0.00 N ATOM 0 H LYS A 10 -7.066 -0.612 -12.666 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.471 -3.025 -13.997 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.828 -0.745 -15.040 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.273 -0.244 -14.406 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.136 -2.060 -15.670 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.679 -2.659 -16.244 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.106 -0.436 -17.359 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.534 0.121 -16.820 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.972 -2.352 -18.570 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.520 -0.776 -19.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.516 -1.950 -18.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.575 -0.891 -17.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.954 -2.533 -17.374 1.00 0.00 H new ATOM 152 N LYS A 11 -4.058 -3.620 -13.630 1.00 0.00 N ATOM 153 CA LYS A 11 -2.740 -4.087 -13.216 1.00 0.00 C ATOM 154 C LYS A 11 -1.671 -3.055 -13.561 1.00 0.00 C ATOM 155 O LYS A 11 -0.787 -2.769 -12.753 1.00 0.00 O ATOM 156 CB LYS A 11 -2.414 -5.404 -13.922 1.00 0.00 C ATOM 157 CG LYS A 11 -3.374 -6.492 -13.440 1.00 0.00 C ATOM 158 CD LYS A 11 -3.082 -7.796 -14.185 1.00 0.00 C ATOM 159 CE LYS A 11 -4.114 -8.852 -13.787 1.00 0.00 C ATOM 160 NZ LYS A 11 -3.944 -9.197 -12.348 1.00 0.00 N ATOM 0 H LYS A 11 -4.518 -4.204 -14.328 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.751 -4.238 -12.137 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.499 -5.281 -15.002 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.384 -5.695 -13.715 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.262 -6.641 -12.366 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.405 -6.185 -13.613 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.115 -7.628 -15.261 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.077 -8.146 -13.947 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.122 -8.476 -13.965 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.993 -9.744 -14.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.443 -10.086 -12.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.932 -9.311 -12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.338 -8.435 -11.760 1.00 0.00 H new ATOM 174 N LYS A 12 -1.764 -2.499 -14.764 1.00 0.00 N ATOM 175 CA LYS A 12 -0.804 -1.497 -15.212 1.00 0.00 C ATOM 176 C LYS A 12 0.614 -2.059 -15.184 1.00 0.00 C ATOM 177 O LYS A 12 0.948 -2.893 -14.343 1.00 0.00 O ATOM 178 CB LYS A 12 -0.884 -0.257 -14.308 1.00 0.00 C ATOM 179 CG LYS A 12 -0.231 0.952 -15.002 1.00 0.00 C ATOM 180 CD LYS A 12 -1.250 1.660 -15.906 1.00 0.00 C ATOM 181 CE LYS A 12 -0.611 2.915 -16.506 1.00 0.00 C ATOM 182 NZ LYS A 12 0.442 2.514 -17.483 1.00 0.00 N ATOM 0 H LYS A 12 -2.491 -2.724 -15.444 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.050 -1.218 -16.237 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.925 -0.034 -14.077 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.383 -0.456 -13.361 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.148 1.649 -14.254 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.624 0.623 -15.593 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.576 0.989 -16.701 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.137 1.929 -15.332 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.369 3.522 -17.000 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.176 3.528 -15.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.711 3.336 -18.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.276 2.164 -16.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.074 1.762 -18.101 1.00 0.00 H new ATOM 196 N VAL A 13 1.447 -1.593 -16.107 1.00 0.00 N ATOM 197 CA VAL A 13 2.829 -2.053 -16.175 1.00 0.00 C ATOM 198 C VAL A 13 3.627 -1.509 -14.995 1.00 0.00 C ATOM 199 O VAL A 13 3.579 -0.317 -14.696 1.00 0.00 O ATOM 200 CB VAL A 13 3.471 -1.591 -17.485 1.00 0.00 C ATOM 201 CG1 VAL A 13 3.555 -0.064 -17.503 1.00 0.00 C ATOM 202 CG2 VAL A 13 4.881 -2.179 -17.591 1.00 0.00 C ATOM 0 H VAL A 13 1.193 -0.903 -16.813 1.00 0.00 H new ATOM 0 HA VAL A 13 2.835 -3.142 -16.135 1.00 0.00 H new ATOM 0 HB VAL A 13 2.867 -1.930 -18.327 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.012 0.264 -18.436 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.553 0.357 -17.423 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.160 0.277 -16.663 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.342 -1.852 -18.523 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.482 -1.836 -16.749 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.823 -3.267 -17.577 1.00 0.00 H new ATOM 212 N LYS A 14 4.360 -2.397 -14.328 1.00 0.00 N ATOM 213 CA LYS A 14 5.171 -2.007 -13.176 1.00 0.00 C ATOM 214 C LYS A 14 6.427 -2.865 -13.092 1.00 0.00 C ATOM 215 O LYS A 14 6.447 -4.001 -13.569 1.00 0.00 O ATOM 216 CB LYS A 14 4.356 -2.162 -11.891 1.00 0.00 C ATOM 217 CG LYS A 14 3.976 -3.632 -11.696 1.00 0.00 C ATOM 218 CD LYS A 14 3.052 -3.763 -10.485 1.00 0.00 C ATOM 219 CE LYS A 14 2.638 -5.226 -10.317 1.00 0.00 C ATOM 220 NZ LYS A 14 3.844 -6.056 -10.041 1.00 0.00 N ATOM 0 H LYS A 14 4.410 -3.388 -14.564 1.00 0.00 H new ATOM 0 HA LYS A 14 5.466 -0.964 -13.296 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.935 -1.809 -11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.457 -1.548 -11.943 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.479 -4.012 -12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.873 -4.234 -11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.560 -3.412 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.170 -3.137 -10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.923 -5.321 -9.499 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.139 -5.580 -11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.647 -6.702 -9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.086 -6.609 -10.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.642 -5.437 -9.792 1.00 0.00 H new ATOM 234 N LYS A 15 7.473 -2.318 -12.477 1.00 0.00 N ATOM 235 CA LYS A 15 8.737 -3.041 -12.327 1.00 0.00 C ATOM 236 C LYS A 15 9.332 -2.793 -10.945 1.00 0.00 C ATOM 237 O LYS A 15 10.398 -3.311 -10.615 1.00 0.00 O ATOM 238 CB LYS A 15 9.726 -2.585 -13.410 1.00 0.00 C ATOM 239 CG LYS A 15 10.833 -3.636 -13.589 1.00 0.00 C ATOM 240 CD LYS A 15 11.723 -3.265 -14.792 1.00 0.00 C ATOM 241 CE LYS A 15 11.146 -3.868 -16.076 1.00 0.00 C ATOM 242 NZ LYS A 15 11.154 -5.353 -15.964 1.00 0.00 N ATOM 0 H LYS A 15 7.472 -1.380 -12.075 1.00 0.00 H new ATOM 0 HA LYS A 15 8.546 -4.108 -12.437 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.201 -2.434 -14.353 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.165 -1.627 -13.133 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.438 -3.697 -12.684 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.390 -4.620 -13.744 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.788 -2.181 -14.887 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.737 -3.632 -14.632 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.130 -3.509 -16.236 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.735 -3.553 -16.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.349 -5.770 -16.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.891 -5.646 -15.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.227 -5.681 -15.626 1.00 0.00 H new ATOM 256 N LEU A 16 8.637 -2.000 -10.142 1.00 0.00 N ATOM 257 CA LEU A 16 9.111 -1.694 -8.801 1.00 0.00 C ATOM 258 C LEU A 16 9.047 -2.937 -7.924 1.00 0.00 C ATOM 259 O LEU A 16 9.040 -4.059 -8.429 1.00 0.00 O ATOM 260 CB LEU A 16 8.260 -0.584 -8.191 1.00 0.00 C ATOM 261 CG LEU A 16 8.136 0.573 -9.183 1.00 0.00 C ATOM 262 CD1 LEU A 16 7.389 1.731 -8.516 1.00 0.00 C ATOM 263 CD2 LEU A 16 9.531 1.041 -9.625 1.00 0.00 C ATOM 0 H LEU A 16 7.751 -1.561 -10.393 1.00 0.00 H new ATOM 0 HA LEU A 16 10.147 -1.359 -8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.271 -0.967 -7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.712 -0.234 -7.263 1.00 0.00 H new ATOM 0 HG LEU A 16 7.584 0.238 -10.061 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.298 2.559 -9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.395 1.398 -8.217 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.941 2.062 -7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.431 1.865 -10.331 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.095 1.375 -8.754 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.057 0.215 -10.103 1.00 0.00 H new ATOM 275 N GLN A 17 8.999 -2.731 -6.607 1.00 0.00 N ATOM 276 CA GLN A 17 8.936 -3.846 -5.661 1.00 0.00 C ATOM 277 C GLN A 17 7.683 -3.739 -4.806 1.00 0.00 C ATOM 278 O GLN A 17 7.443 -2.718 -4.160 1.00 0.00 O ATOM 279 CB GLN A 17 10.177 -3.833 -4.760 1.00 0.00 C ATOM 280 CG GLN A 17 10.205 -5.096 -3.892 1.00 0.00 C ATOM 281 CD GLN A 17 10.415 -6.326 -4.769 1.00 0.00 C ATOM 282 OE1 GLN A 17 11.214 -6.292 -5.705 1.00 0.00 O ATOM 283 NE2 GLN A 17 9.739 -7.415 -4.525 1.00 0.00 N ATOM 0 H GLN A 17 9.002 -1.808 -6.173 1.00 0.00 H new ATOM 0 HA GLN A 17 8.905 -4.781 -6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.079 -3.780 -5.370 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.168 -2.946 -4.127 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.005 -5.023 -3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.270 -5.188 -3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.077 -7.442 -3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.872 -8.240 -5.110 1.00 0.00 H new ATOM 292 N LYS A 18 6.891 -4.804 -4.803 1.00 0.00 N ATOM 293 CA LYS A 18 5.665 -4.837 -4.019 1.00 0.00 C ATOM 294 C LYS A 18 5.962 -5.269 -2.587 1.00 0.00 C ATOM 295 O LYS A 18 6.734 -6.199 -2.355 1.00 0.00 O ATOM 296 CB LYS A 18 4.666 -5.805 -4.659 1.00 0.00 C ATOM 297 CG LYS A 18 5.271 -7.211 -4.706 1.00 0.00 C ATOM 298 CD LYS A 18 4.320 -8.152 -5.446 1.00 0.00 C ATOM 299 CE LYS A 18 4.929 -9.554 -5.495 1.00 0.00 C ATOM 300 NZ LYS A 18 4.003 -10.470 -6.218 1.00 0.00 N ATOM 0 H LYS A 18 7.076 -5.655 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 18 5.234 -3.836 -3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.738 -5.816 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.416 -5.472 -5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.238 -7.186 -5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.447 -7.577 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.354 -8.181 -4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.142 -7.785 -6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.896 -9.525 -5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.106 -9.921 -4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.415 -11.424 -6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.090 -10.505 -5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.856 -10.121 -7.187 1.00 0.00 H new ATOM 314 N SER A 19 5.343 -4.584 -1.628 1.00 0.00 N ATOM 315 CA SER A 19 5.536 -4.894 -0.213 1.00 0.00 C ATOM 316 C SER A 19 4.190 -4.928 0.504 1.00 0.00 C ATOM 317 O SER A 19 3.239 -4.265 0.090 1.00 0.00 O ATOM 318 CB SER A 19 6.449 -3.846 0.432 1.00 0.00 C ATOM 319 OG SER A 19 7.800 -4.115 0.075 1.00 0.00 O ATOM 0 H SER A 19 4.703 -3.810 -1.805 1.00 0.00 H new ATOM 0 HA SER A 19 6.005 -5.874 -0.126 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.165 -2.847 0.101 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.336 -3.867 1.516 1.00 0.00 H new ATOM 0 HG SER A 19 8.386 -3.445 0.485 1.00 0.00 H new ATOM 325 N TYR A 20 4.122 -5.706 1.583 1.00 0.00 N ATOM 326 CA TYR A 20 2.893 -5.833 2.367 1.00 0.00 C ATOM 327 C TYR A 20 3.076 -5.193 3.735 1.00 0.00 C ATOM 328 O TYR A 20 4.144 -5.294 4.340 1.00 0.00 O ATOM 329 CB TYR A 20 2.540 -7.310 2.539 1.00 0.00 C ATOM 330 CG TYR A 20 2.212 -7.907 1.191 1.00 0.00 C ATOM 331 CD1 TYR A 20 0.991 -7.609 0.573 1.00 0.00 C ATOM 332 CD2 TYR A 20 3.129 -8.756 0.557 1.00 0.00 C ATOM 333 CE1 TYR A 20 0.687 -8.159 -0.678 1.00 0.00 C ATOM 334 CE2 TYR A 20 2.823 -9.306 -0.693 1.00 0.00 C ATOM 335 CZ TYR A 20 1.603 -9.008 -1.310 1.00 0.00 C ATOM 336 OH TYR A 20 1.302 -9.552 -2.542 1.00 0.00 O ATOM 0 H TYR A 20 4.904 -6.259 1.935 1.00 0.00 H new ATOM 0 HA TYR A 20 2.086 -5.325 1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.375 -7.844 2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.690 -7.416 3.213 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.284 -6.955 1.062 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.071 -8.986 1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.254 -7.928 -1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.529 -9.961 -1.182 1.00 0.00 H new ATOM 0 HH TYR A 20 2.045 -10.117 -2.841 1.00 0.00 H new ATOM 346 N PHE A 21 2.025 -4.534 4.218 1.00 0.00 N ATOM 347 CA PHE A 21 2.060 -3.872 5.523 1.00 0.00 C ATOM 348 C PHE A 21 0.823 -4.248 6.334 1.00 0.00 C ATOM 349 O PHE A 21 -0.230 -4.547 5.770 1.00 0.00 O ATOM 350 CB PHE A 21 2.102 -2.356 5.331 1.00 0.00 C ATOM 351 CG PHE A 21 3.302 -1.991 4.494 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.272 -2.205 3.113 1.00 0.00 C ATOM 353 CD2 PHE A 21 4.441 -1.438 5.093 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.378 -1.866 2.328 1.00 0.00 C ATOM 355 CE2 PHE A 21 5.549 -1.099 4.306 1.00 0.00 C ATOM 356 CZ PHE A 21 5.517 -1.315 2.923 1.00 0.00 C ATOM 0 H PHE A 21 1.136 -4.443 3.725 1.00 0.00 H new ATOM 0 HA PHE A 21 2.952 -4.196 6.060 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.188 -2.014 4.845 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.154 -1.857 6.299 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.394 -2.633 2.652 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.465 -1.273 6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.353 -2.030 1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.428 -0.671 4.766 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.372 -1.056 2.316 1.00 0.00 H new ATOM 366 N ASP A 22 0.959 -4.232 7.659 1.00 0.00 N ATOM 367 CA ASP A 22 -0.149 -4.571 8.552 1.00 0.00 C ATOM 368 C ASP A 22 -0.339 -3.476 9.594 1.00 0.00 C ATOM 369 O ASP A 22 0.518 -3.270 10.453 1.00 0.00 O ATOM 370 CB ASP A 22 0.141 -5.898 9.252 1.00 0.00 C ATOM 371 CG ASP A 22 0.031 -7.046 8.255 1.00 0.00 C ATOM 372 OD1 ASP A 22 -0.516 -6.825 7.187 1.00 0.00 O ATOM 373 OD2 ASP A 22 0.497 -8.127 8.572 1.00 0.00 O ATOM 0 H ASP A 22 1.826 -3.988 8.138 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.061 -4.662 7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.140 -5.878 9.688 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.562 -6.048 10.071 1.00 0.00 H new ATOM 378 N VAL A 23 -1.470 -2.777 9.513 1.00 0.00 N ATOM 379 CA VAL A 23 -1.769 -1.699 10.456 1.00 0.00 C ATOM 380 C VAL A 23 -2.788 -2.169 11.487 1.00 0.00 C ATOM 381 O VAL A 23 -3.984 -2.255 11.205 1.00 0.00 O ATOM 382 CB VAL A 23 -2.318 -0.481 9.697 1.00 0.00 C ATOM 383 CG1 VAL A 23 -1.159 0.333 9.116 1.00 0.00 C ATOM 384 CG2 VAL A 23 -3.215 -0.960 8.553 1.00 0.00 C ATOM 0 H VAL A 23 -2.191 -2.936 8.809 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.851 -1.417 10.972 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.891 0.142 10.384 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.553 1.195 8.579 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.512 0.674 9.925 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.585 -0.290 8.430 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.606 -0.098 8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.635 -1.583 7.872 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.043 -1.540 8.959 1.00 0.00 H new ATOM 394 N LEU A 24 -2.305 -2.464 12.686 1.00 0.00 N ATOM 395 CA LEU A 24 -3.181 -2.912 13.758 1.00 0.00 C ATOM 396 C LEU A 24 -4.148 -1.802 14.149 1.00 0.00 C ATOM 397 O LEU A 24 -5.323 -2.057 14.413 1.00 0.00 O ATOM 398 CB LEU A 24 -2.356 -3.336 14.979 1.00 0.00 C ATOM 399 CG LEU A 24 -3.286 -3.803 16.112 1.00 0.00 C ATOM 400 CD1 LEU A 24 -4.161 -4.977 15.639 1.00 0.00 C ATOM 401 CD2 LEU A 24 -2.434 -4.237 17.313 1.00 0.00 C ATOM 0 H LEU A 24 -1.319 -2.402 12.939 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.751 -3.770 13.401 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.673 -4.140 14.704 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.744 -2.501 15.321 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.941 -2.981 16.402 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.813 -5.296 16.452 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.767 -4.660 14.791 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.523 -5.808 15.339 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.086 -4.569 18.121 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.777 -5.055 17.017 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.833 -3.395 17.656 1.00 0.00 H new ATOM 413 N GLY A 25 -3.639 -0.575 14.201 1.00 0.00 N ATOM 414 CA GLY A 25 -4.461 0.569 14.576 1.00 0.00 C ATOM 415 C GLY A 25 -5.490 0.883 13.498 1.00 0.00 C ATOM 416 O GLY A 25 -5.745 2.048 13.193 1.00 0.00 O ATOM 0 H GLY A 25 -2.667 -0.349 13.990 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.969 0.362 15.518 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.825 1.439 14.740 1.00 0.00 H new ATOM 420 N ILE A 26 -6.084 -0.161 12.922 1.00 0.00 N ATOM 421 CA ILE A 26 -7.090 0.015 11.879 1.00 0.00 C ATOM 422 C ILE A 26 -8.478 0.133 12.499 1.00 0.00 C ATOM 423 O ILE A 26 -8.862 -0.678 13.343 1.00 0.00 O ATOM 424 CB ILE A 26 -7.051 -1.172 10.912 1.00 0.00 C ATOM 425 CG1 ILE A 26 -8.037 -0.939 9.752 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.438 -2.454 11.659 1.00 0.00 C ATOM 427 CD1 ILE A 26 -7.638 0.308 8.946 1.00 0.00 C ATOM 0 H ILE A 26 -5.886 -1.133 13.159 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.871 0.931 11.331 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.042 -1.271 10.511 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.052 -1.812 9.099 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.047 -0.818 10.144 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.410 -3.299 10.971 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.735 -2.627 12.474 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.444 -2.349 12.064 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.346 0.456 8.131 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.647 1.181 9.598 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.637 0.172 8.537 1.00 0.00 H new ATOM 439 N CYS A 27 -9.225 1.155 12.082 1.00 0.00 N ATOM 440 CA CYS A 27 -10.574 1.384 12.607 1.00 0.00 C ATOM 441 C CYS A 27 -11.577 1.552 11.469 1.00 0.00 C ATOM 442 O CYS A 27 -11.364 2.338 10.546 1.00 0.00 O ATOM 443 CB CYS A 27 -10.580 2.640 13.484 1.00 0.00 C ATOM 444 SG CYS A 27 -12.288 3.148 13.808 1.00 0.00 S ATOM 0 H CYS A 27 -8.922 1.836 11.385 1.00 0.00 H new ATOM 0 HA CYS A 27 -10.864 0.518 13.202 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -10.065 2.442 14.424 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -10.039 3.445 12.987 1.00 0.00 H new ATOM 449 N CYS A 28 -12.684 0.820 11.561 1.00 0.00 N ATOM 450 CA CYS A 28 -13.735 0.899 10.553 1.00 0.00 C ATOM 451 C CYS A 28 -13.139 1.014 9.149 1.00 0.00 C ATOM 452 O CYS A 28 -11.970 0.693 8.937 1.00 0.00 O ATOM 453 CB CYS A 28 -14.621 2.114 10.848 1.00 0.00 C ATOM 454 SG CYS A 28 -13.749 3.626 10.366 1.00 0.00 S ATOM 0 H CYS A 28 -12.875 0.167 12.321 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.331 -0.013 10.591 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -15.561 2.034 10.302 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.870 2.147 11.909 1.00 0.00 H new ATOM 459 N THR A 29 -13.948 1.480 8.197 1.00 0.00 N ATOM 460 CA THR A 29 -13.495 1.642 6.813 1.00 0.00 C ATOM 461 C THR A 29 -13.471 3.119 6.436 1.00 0.00 C ATOM 462 O THR A 29 -13.100 3.477 5.318 1.00 0.00 O ATOM 463 CB THR A 29 -14.436 0.886 5.874 1.00 0.00 C ATOM 464 OG1 THR A 29 -15.733 1.462 5.940 1.00 0.00 O ATOM 465 CG2 THR A 29 -14.504 -0.580 6.300 1.00 0.00 C ATOM 0 H THR A 29 -14.918 1.752 8.357 1.00 0.00 H new ATOM 0 HA THR A 29 -12.487 1.238 6.721 1.00 0.00 H new ATOM 0 HB THR A 29 -14.064 0.951 4.852 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.336 0.979 5.337 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.174 -1.122 5.633 1.00 0.00 H new ATOM 0 HG22 THR A 29 -13.508 -1.020 6.250 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.879 -0.645 7.322 1.00 0.00 H new ATOM 473 N SER A 30 -13.873 3.975 7.372 1.00 0.00 N ATOM 474 CA SER A 30 -13.891 5.412 7.118 1.00 0.00 C ATOM 475 C SER A 30 -12.481 5.990 7.190 1.00 0.00 C ATOM 476 O SER A 30 -12.267 7.151 6.851 1.00 0.00 O ATOM 477 CB SER A 30 -14.784 6.124 8.136 1.00 0.00 C ATOM 478 OG SER A 30 -14.147 6.115 9.406 1.00 0.00 O ATOM 0 H SER A 30 -14.187 3.702 8.303 1.00 0.00 H new ATOM 0 HA SER A 30 -14.290 5.571 6.116 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.972 7.149 7.818 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.752 5.627 8.198 1.00 0.00 H new ATOM 0 HG SER A 30 -13.538 5.349 9.461 1.00 0.00 H new ATOM 484 N GLU A 31 -11.527 5.169 7.643 1.00 0.00 N ATOM 485 CA GLU A 31 -10.126 5.593 7.752 1.00 0.00 C ATOM 486 C GLU A 31 -9.370 5.245 6.467 1.00 0.00 C ATOM 487 O GLU A 31 -8.150 5.399 6.393 1.00 0.00 O ATOM 488 CB GLU A 31 -9.458 4.920 8.974 1.00 0.00 C ATOM 489 CG GLU A 31 -9.580 5.822 10.215 1.00 0.00 C ATOM 490 CD GLU A 31 -11.046 6.023 10.579 1.00 0.00 C ATOM 491 OE1 GLU A 31 -11.811 6.393 9.703 1.00 0.00 O ATOM 492 OE2 GLU A 31 -11.384 5.802 11.730 1.00 0.00 O ATOM 0 H GLU A 31 -11.699 4.208 7.940 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.093 6.673 7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.929 3.956 9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.407 4.724 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.048 5.373 11.054 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.111 6.786 10.020 1.00 0.00 H new ATOM 499 N VAL A 32 -10.098 4.775 5.457 1.00 0.00 N ATOM 500 CA VAL A 32 -9.472 4.419 4.192 1.00 0.00 C ATOM 501 C VAL A 32 -8.851 5.657 3.531 1.00 0.00 C ATOM 502 O VAL A 32 -7.753 5.580 2.975 1.00 0.00 O ATOM 503 CB VAL A 32 -10.493 3.755 3.243 1.00 0.00 C ATOM 504 CG1 VAL A 32 -9.895 3.616 1.839 1.00 0.00 C ATOM 505 CG2 VAL A 32 -10.870 2.372 3.788 1.00 0.00 C ATOM 0 H VAL A 32 -11.108 4.634 5.490 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.678 3.701 4.396 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.385 4.378 3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.624 3.147 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.638 4.603 1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.997 3.000 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.591 1.902 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.977 1.751 3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.311 2.479 4.779 1.00 0.00 H new ATOM 515 N PRO A 33 -9.521 6.791 3.580 1.00 0.00 N ATOM 516 CA PRO A 33 -9.014 8.055 2.959 1.00 0.00 C ATOM 517 C PRO A 33 -7.679 8.487 3.564 1.00 0.00 C ATOM 518 O PRO A 33 -6.767 8.900 2.850 1.00 0.00 O ATOM 519 CB PRO A 33 -10.123 9.088 3.258 1.00 0.00 C ATOM 520 CG PRO A 33 -11.335 8.272 3.562 1.00 0.00 C ATOM 521 CD PRO A 33 -10.808 7.017 4.248 1.00 0.00 C ATOM 0 HA PRO A 33 -8.820 7.941 1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.853 9.724 4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.292 9.744 2.404 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.024 8.815 4.209 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.881 8.024 2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.685 7.165 5.321 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.484 6.172 4.118 1.00 0.00 H new ATOM 529 N ILE A 34 -7.582 8.389 4.888 1.00 0.00 N ATOM 530 CA ILE A 34 -6.363 8.772 5.591 1.00 0.00 C ATOM 531 C ILE A 34 -5.204 7.865 5.193 1.00 0.00 C ATOM 532 O ILE A 34 -4.087 8.332 4.972 1.00 0.00 O ATOM 533 CB ILE A 34 -6.584 8.704 7.109 1.00 0.00 C ATOM 534 CG1 ILE A 34 -7.558 9.809 7.532 1.00 0.00 C ATOM 535 CG2 ILE A 34 -5.252 8.898 7.839 1.00 0.00 C ATOM 536 CD1 ILE A 34 -8.009 9.582 8.981 1.00 0.00 C ATOM 0 H ILE A 34 -8.330 8.049 5.492 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.114 9.796 5.312 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.997 7.729 7.367 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.078 10.783 7.440 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.424 9.816 6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.416 8.849 8.915 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.557 8.113 7.542 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.834 9.871 7.580 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.701 10.371 9.275 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.506 8.615 9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.140 9.598 9.639 1.00 0.00 H new ATOM 548 N ILE A 35 -5.475 6.569 5.115 1.00 0.00 N ATOM 549 CA ILE A 35 -4.438 5.612 4.759 1.00 0.00 C ATOM 550 C ILE A 35 -3.913 5.900 3.359 1.00 0.00 C ATOM 551 O ILE A 35 -2.707 5.906 3.134 1.00 0.00 O ATOM 552 CB ILE A 35 -5.010 4.191 4.810 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.347 3.824 6.257 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.978 3.199 4.263 1.00 0.00 C ATOM 555 CD1 ILE A 35 -6.166 2.533 6.275 1.00 0.00 C ATOM 0 H ILE A 35 -6.393 6.160 5.291 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.617 5.701 5.470 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.914 4.147 4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.431 3.695 6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.909 4.631 6.727 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.388 2.190 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.739 3.455 3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.072 3.246 4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.407 2.270 7.305 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.088 2.679 5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.587 1.729 5.821 1.00 0.00 H new ATOM 567 N GLU A 36 -4.817 6.148 2.425 1.00 0.00 N ATOM 568 CA GLU A 36 -4.419 6.438 1.054 1.00 0.00 C ATOM 569 C GLU A 36 -3.741 7.801 0.966 1.00 0.00 C ATOM 570 O GLU A 36 -2.810 7.993 0.189 1.00 0.00 O ATOM 571 CB GLU A 36 -5.643 6.412 0.140 1.00 0.00 C ATOM 572 CG GLU A 36 -6.189 4.985 0.065 1.00 0.00 C ATOM 573 CD GLU A 36 -7.451 4.957 -0.790 1.00 0.00 C ATOM 574 OE1 GLU A 36 -7.821 6.002 -1.298 1.00 0.00 O ATOM 575 OE2 GLU A 36 -8.029 3.891 -0.921 1.00 0.00 O ATOM 0 H GLU A 36 -5.824 6.155 2.587 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.710 5.675 0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.409 7.087 0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.375 6.764 -0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.437 4.320 -0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.410 4.618 1.067 1.00 0.00 H new ATOM 582 N ASN A 37 -4.220 8.743 1.769 1.00 0.00 N ATOM 583 CA ASN A 37 -3.666 10.091 1.775 1.00 0.00 C ATOM 584 C ASN A 37 -2.196 10.067 2.179 1.00 0.00 C ATOM 585 O ASN A 37 -1.386 10.830 1.651 1.00 0.00 O ATOM 586 CB ASN A 37 -4.451 10.972 2.750 1.00 0.00 C ATOM 587 CG ASN A 37 -5.807 11.334 2.153 1.00 0.00 C ATOM 588 OD1 ASN A 37 -5.997 11.244 0.940 1.00 0.00 O ATOM 589 ND2 ASN A 37 -6.768 11.738 2.937 1.00 0.00 N ATOM 0 H ASN A 37 -4.989 8.599 2.423 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.746 10.501 0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.589 10.448 3.696 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.887 11.879 2.968 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.678 11.980 2.545 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.609 11.812 3.942 1.00 0.00 H new ATOM 596 N ILE A 38 -1.857 9.201 3.127 1.00 0.00 N ATOM 597 CA ILE A 38 -0.479 9.108 3.600 1.00 0.00 C ATOM 598 C ILE A 38 0.446 8.683 2.461 1.00 0.00 C ATOM 599 O ILE A 38 1.521 9.254 2.279 1.00 0.00 O ATOM 600 CB ILE A 38 -0.393 8.088 4.747 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.135 8.626 5.992 1.00 0.00 C ATOM 602 CG2 ILE A 38 1.078 7.802 5.083 1.00 0.00 C ATOM 603 CD1 ILE A 38 -0.229 9.540 6.832 1.00 0.00 C ATOM 0 H ILE A 38 -2.508 8.560 3.580 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.164 10.087 3.961 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.868 7.158 4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.022 9.178 5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.478 7.791 6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.131 7.079 5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.580 7.397 4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.568 8.727 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.781 9.901 7.700 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.645 8.980 7.165 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.093 10.388 6.228 1.00 0.00 H new ATOM 615 N LEU A 39 0.021 7.687 1.693 1.00 0.00 N ATOM 616 CA LEU A 39 0.827 7.209 0.576 1.00 0.00 C ATOM 617 C LEU A 39 0.999 8.309 -0.470 1.00 0.00 C ATOM 618 O LEU A 39 2.074 8.470 -1.043 1.00 0.00 O ATOM 619 CB LEU A 39 0.161 5.975 -0.054 1.00 0.00 C ATOM 620 CG LEU A 39 0.605 4.704 0.681 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.314 4.837 2.177 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.158 3.507 0.110 1.00 0.00 C ATOM 0 H LEU A 39 -0.866 7.200 1.820 1.00 0.00 H new ATOM 0 HA LEU A 39 1.814 6.932 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.924 6.073 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.428 5.907 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 39 1.676 4.558 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.632 3.930 2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.858 5.692 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.756 4.983 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.151 2.598 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.228 3.658 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.059 3.411 -0.954 1.00 0.00 H new ATOM 634 N LYS A 40 -0.065 9.065 -0.711 1.00 0.00 N ATOM 635 CA LYS A 40 -0.010 10.141 -1.691 1.00 0.00 C ATOM 636 C LYS A 40 1.079 11.141 -1.323 1.00 0.00 C ATOM 637 O LYS A 40 1.788 11.648 -2.192 1.00 0.00 O ATOM 638 CB LYS A 40 -1.362 10.853 -1.763 1.00 0.00 C ATOM 639 CG LYS A 40 -2.387 9.939 -2.438 1.00 0.00 C ATOM 640 CD LYS A 40 -3.741 10.651 -2.501 1.00 0.00 C ATOM 641 CE LYS A 40 -4.755 9.761 -3.223 1.00 0.00 C ATOM 642 NZ LYS A 40 -5.193 8.667 -2.310 1.00 0.00 N ATOM 0 H LYS A 40 -0.967 8.955 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 40 0.222 9.711 -2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.699 11.117 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.265 11.784 -2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.053 9.680 -3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.480 9.006 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.092 10.877 -1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.639 11.602 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.615 10.352 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.309 9.341 -4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.185 8.426 -2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.596 7.829 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.103 8.982 -1.323 1.00 0.00 H new ATOM 656 N SER A 41 1.215 11.415 -0.033 1.00 0.00 N ATOM 657 CA SER A 41 2.231 12.349 0.435 1.00 0.00 C ATOM 658 C SER A 41 3.628 11.846 0.078 1.00 0.00 C ATOM 659 O SER A 41 4.499 12.623 -0.310 1.00 0.00 O ATOM 660 CB SER A 41 2.120 12.528 1.948 1.00 0.00 C ATOM 661 OG SER A 41 3.089 13.473 2.381 1.00 0.00 O ATOM 0 H SER A 41 0.639 11.008 0.704 1.00 0.00 H new ATOM 0 HA SER A 41 2.068 13.309 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.119 12.869 2.213 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.276 11.574 2.451 1.00 0.00 H new ATOM 0 HG SER A 41 3.020 13.591 3.351 1.00 0.00 H new ATOM 667 N LEU A 42 3.832 10.540 0.219 1.00 0.00 N ATOM 668 CA LEU A 42 5.126 9.938 -0.085 1.00 0.00 C ATOM 669 C LEU A 42 5.384 9.956 -1.585 1.00 0.00 C ATOM 670 O LEU A 42 4.454 9.856 -2.387 1.00 0.00 O ATOM 671 CB LEU A 42 5.160 8.495 0.422 1.00 0.00 C ATOM 672 CG LEU A 42 4.800 8.456 1.911 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.790 7.004 2.391 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.823 9.265 2.723 1.00 0.00 C ATOM 0 H LEU A 42 3.122 9.881 0.540 1.00 0.00 H new ATOM 0 HA LEU A 42 5.903 10.518 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.459 7.884 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.152 8.069 0.268 1.00 0.00 H new ATOM 0 HG LEU A 42 3.813 8.895 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.534 6.973 3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.052 6.438 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.777 6.565 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.558 9.231 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.817 8.839 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.821 10.300 2.382 1.00 0.00 H new ATOM 686 N ASP A 43 6.656 10.086 -1.960 1.00 0.00 N ATOM 687 CA ASP A 43 7.038 10.119 -3.373 1.00 0.00 C ATOM 688 C ASP A 43 7.759 8.832 -3.761 1.00 0.00 C ATOM 689 O ASP A 43 8.919 8.630 -3.404 1.00 0.00 O ATOM 690 CB ASP A 43 7.953 11.317 -3.635 1.00 0.00 C ATOM 691 CG ASP A 43 8.080 11.553 -5.136 1.00 0.00 C ATOM 692 OD1 ASP A 43 7.664 10.687 -5.888 1.00 0.00 O ATOM 693 OD2 ASP A 43 8.590 12.595 -5.510 1.00 0.00 O ATOM 0 H ASP A 43 7.437 10.170 -1.309 1.00 0.00 H new ATOM 0 HA ASP A 43 6.134 10.212 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.550 12.207 -3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.937 11.136 -3.202 1.00 0.00 H new ATOM 698 N GLY A 44 7.065 7.968 -4.495 1.00 0.00 N ATOM 699 CA GLY A 44 7.647 6.701 -4.932 1.00 0.00 C ATOM 700 C GLY A 44 6.568 5.637 -5.087 1.00 0.00 C ATOM 701 O GLY A 44 6.778 4.623 -5.755 1.00 0.00 O ATOM 0 H GLY A 44 6.103 8.120 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.165 6.841 -5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.391 6.368 -4.208 1.00 0.00 H new ATOM 705 N VAL A 45 5.414 5.871 -4.472 1.00 0.00 N ATOM 706 CA VAL A 45 4.311 4.921 -4.553 1.00 0.00 C ATOM 707 C VAL A 45 3.570 5.075 -5.877 1.00 0.00 C ATOM 708 O VAL A 45 3.178 6.179 -6.257 1.00 0.00 O ATOM 709 CB VAL A 45 3.340 5.145 -3.392 1.00 0.00 C ATOM 710 CG1 VAL A 45 4.116 5.169 -2.075 1.00 0.00 C ATOM 711 CG2 VAL A 45 2.613 6.478 -3.583 1.00 0.00 C ATOM 0 H VAL A 45 5.219 6.704 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 45 4.719 3.912 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 45 2.610 4.335 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.424 5.329 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.631 4.218 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.847 5.977 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.921 6.637 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.341 7.289 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.058 6.459 -4.521 1.00 0.00 H new ATOM 721 N LYS A 46 3.380 3.960 -6.576 1.00 0.00 N ATOM 722 CA LYS A 46 2.682 3.972 -7.859 1.00 0.00 C ATOM 723 C LYS A 46 1.205 3.629 -7.667 1.00 0.00 C ATOM 724 O LYS A 46 0.325 4.308 -8.198 1.00 0.00 O ATOM 725 CB LYS A 46 3.345 2.959 -8.811 1.00 0.00 C ATOM 726 CG LYS A 46 4.527 3.608 -9.553 1.00 0.00 C ATOM 727 CD LYS A 46 4.022 4.371 -10.784 1.00 0.00 C ATOM 728 CE LYS A 46 5.213 4.989 -11.516 1.00 0.00 C ATOM 729 NZ LYS A 46 6.028 3.904 -12.127 1.00 0.00 N ATOM 0 H LYS A 46 3.698 3.038 -6.277 1.00 0.00 H new ATOM 0 HA LYS A 46 2.747 4.970 -8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.694 2.095 -8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.612 2.595 -9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.056 4.288 -8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.240 2.842 -9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.482 3.697 -11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.322 5.150 -10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.865 5.677 -12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.820 5.570 -10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.632 4.302 -12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.624 3.465 -11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.398 3.186 -12.538 1.00 0.00 H new ATOM 743 N GLU A 47 0.941 2.568 -6.912 1.00 0.00 N ATOM 744 CA GLU A 47 -0.434 2.144 -6.664 1.00 0.00 C ATOM 745 C GLU A 47 -0.549 1.439 -5.321 1.00 0.00 C ATOM 746 O GLU A 47 0.441 0.950 -4.776 1.00 0.00 O ATOM 747 CB GLU A 47 -0.899 1.208 -7.778 1.00 0.00 C ATOM 748 CG GLU A 47 0.171 0.144 -8.030 1.00 0.00 C ATOM 749 CD GLU A 47 -0.315 -0.846 -9.081 1.00 0.00 C ATOM 750 OE1 GLU A 47 -1.506 -1.114 -9.109 1.00 0.00 O ATOM 751 OE2 GLU A 47 0.509 -1.327 -9.843 1.00 0.00 O ATOM 0 H GLU A 47 1.653 1.990 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.068 3.031 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.840 0.734 -7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.085 1.775 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.094 0.617 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.399 -0.381 -7.102 1.00 0.00 H new ATOM 758 N TYR A 48 -1.765 1.395 -4.795 1.00 0.00 N ATOM 759 CA TYR A 48 -2.013 0.750 -3.514 1.00 0.00 C ATOM 760 C TYR A 48 -3.494 0.461 -3.327 1.00 0.00 C ATOM 761 O TYR A 48 -4.342 1.021 -4.021 1.00 0.00 O ATOM 762 CB TYR A 48 -1.503 1.640 -2.378 1.00 0.00 C ATOM 763 CG TYR A 48 -1.951 3.063 -2.621 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.287 3.425 -2.413 1.00 0.00 C ATOM 765 CD2 TYR A 48 -1.028 4.019 -3.067 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.699 4.742 -2.648 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.442 5.335 -3.303 1.00 0.00 C ATOM 768 CZ TYR A 48 -2.777 5.697 -3.094 1.00 0.00 C ATOM 769 OH TYR A 48 -3.185 6.995 -3.327 1.00 0.00 O ATOM 0 H TYR A 48 -2.593 1.797 -5.234 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.478 -0.199 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.886 1.284 -1.421 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.415 1.593 -2.324 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.999 2.689 -2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.003 3.740 -3.229 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.729 5.022 -2.485 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.731 6.071 -3.647 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.421 7.528 -3.631 1.00 0.00 H new ATOM 779 N SER A 49 -3.797 -0.420 -2.378 1.00 0.00 N ATOM 780 CA SER A 49 -5.181 -0.782 -2.094 1.00 0.00 C ATOM 781 C SER A 49 -5.328 -1.219 -0.640 1.00 0.00 C ATOM 782 O SER A 49 -4.464 -1.912 -0.100 1.00 0.00 O ATOM 783 CB SER A 49 -5.617 -1.919 -3.024 1.00 0.00 C ATOM 784 OG SER A 49 -7.035 -1.931 -3.109 1.00 0.00 O ATOM 0 H SER A 49 -3.107 -0.894 -1.796 1.00 0.00 H new ATOM 0 HA SER A 49 -5.815 0.089 -2.263 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.182 -1.783 -4.014 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.255 -2.875 -2.645 1.00 0.00 H new ATOM 0 HG SER A 49 -7.321 -2.655 -3.704 1.00 0.00 H new ATOM 790 N VAL A 50 -6.429 -0.817 -0.009 1.00 0.00 N ATOM 791 CA VAL A 50 -6.685 -1.181 1.383 1.00 0.00 C ATOM 792 C VAL A 50 -7.632 -2.371 1.442 1.00 0.00 C ATOM 793 O VAL A 50 -8.785 -2.280 1.017 1.00 0.00 O ATOM 794 CB VAL A 50 -7.306 0.006 2.123 1.00 0.00 C ATOM 795 CG1 VAL A 50 -7.187 -0.206 3.633 1.00 0.00 C ATOM 796 CG2 VAL A 50 -6.569 1.288 1.731 1.00 0.00 C ATOM 0 H VAL A 50 -7.155 -0.242 -0.437 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.742 -1.450 1.859 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.359 0.089 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.630 0.642 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.710 -1.120 3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.135 -0.291 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.009 2.136 2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.517 1.200 2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.656 1.443 0.656 1.00 0.00 H new ATOM 806 N ILE A 51 -7.139 -3.491 1.968 1.00 0.00 N ATOM 807 CA ILE A 51 -7.950 -4.701 2.071 1.00 0.00 C ATOM 808 C ILE A 51 -8.371 -4.925 3.519 1.00 0.00 C ATOM 809 O ILE A 51 -7.592 -5.417 4.336 1.00 0.00 O ATOM 810 CB ILE A 51 -7.142 -5.908 1.582 1.00 0.00 C ATOM 811 CG1 ILE A 51 -6.620 -5.638 0.170 1.00 0.00 C ATOM 812 CG2 ILE A 51 -8.038 -7.145 1.547 1.00 0.00 C ATOM 813 CD1 ILE A 51 -5.640 -6.744 -0.229 1.00 0.00 C ATOM 0 H ILE A 51 -6.189 -3.585 2.327 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.840 -4.584 1.453 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.306 -6.075 2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.450 -5.600 -0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.125 -4.667 0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.462 -8.002 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.419 -7.346 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.873 -6.970 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.267 -6.554 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.805 -6.760 0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.150 -7.707 -0.207 1.00 0.00 H new ATOM 825 N VAL A 52 -9.615 -4.572 3.821 1.00 0.00 N ATOM 826 CA VAL A 52 -10.153 -4.743 5.165 1.00 0.00 C ATOM 827 C VAL A 52 -10.487 -6.214 5.432 1.00 0.00 C ATOM 828 O VAL A 52 -10.255 -6.720 6.532 1.00 0.00 O ATOM 829 CB VAL A 52 -11.422 -3.878 5.356 1.00 0.00 C ATOM 830 CG1 VAL A 52 -11.503 -3.363 6.800 1.00 0.00 C ATOM 831 CG2 VAL A 52 -11.379 -2.688 4.391 1.00 0.00 C ATOM 0 H VAL A 52 -10.270 -4.166 3.153 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.392 -4.420 5.875 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.301 -4.489 5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.400 -2.756 6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.543 -4.209 7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.624 -2.758 7.020 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.273 -2.078 4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.494 -2.085 4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.339 -3.053 3.365 1.00 0.00 H new ATOM 841 N PRO A 53 -11.042 -6.903 4.458 1.00 0.00 N ATOM 842 CA PRO A 53 -11.434 -8.339 4.610 1.00 0.00 C ATOM 843 C PRO A 53 -10.270 -9.212 5.085 1.00 0.00 C ATOM 844 O PRO A 53 -10.465 -10.165 5.840 1.00 0.00 O ATOM 845 CB PRO A 53 -11.902 -8.742 3.200 1.00 0.00 C ATOM 846 CG PRO A 53 -12.294 -7.461 2.538 1.00 0.00 C ATOM 847 CD PRO A 53 -11.353 -6.400 3.104 1.00 0.00 C ATOM 0 HA PRO A 53 -12.205 -8.476 5.369 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.106 -9.243 2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.742 -9.435 3.247 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.196 -7.534 1.455 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.335 -7.214 2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.453 -6.297 2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.828 -5.420 3.139 1.00 0.00 H new ATOM 855 N SER A 54 -9.066 -8.882 4.627 1.00 0.00 N ATOM 856 CA SER A 54 -7.863 -9.631 4.993 1.00 0.00 C ATOM 857 C SER A 54 -6.984 -8.813 5.935 1.00 0.00 C ATOM 858 O SER A 54 -5.882 -9.229 6.289 1.00 0.00 O ATOM 859 CB SER A 54 -7.075 -9.986 3.732 1.00 0.00 C ATOM 860 OG SER A 54 -6.093 -10.962 4.051 1.00 0.00 O ATOM 0 H SER A 54 -8.895 -8.097 3.998 1.00 0.00 H new ATOM 0 HA SER A 54 -8.165 -10.544 5.506 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.748 -10.368 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.599 -9.094 3.324 1.00 0.00 H new ATOM 0 HG SER A 54 -5.740 -10.789 4.949 1.00 0.00 H new ATOM 866 N ARG A 55 -7.478 -7.648 6.335 1.00 0.00 N ATOM 867 CA ARG A 55 -6.726 -6.781 7.235 1.00 0.00 C ATOM 868 C ARG A 55 -5.283 -6.643 6.768 1.00 0.00 C ATOM 869 O ARG A 55 -4.358 -6.618 7.581 1.00 0.00 O ATOM 870 CB ARG A 55 -6.742 -7.359 8.650 1.00 0.00 C ATOM 871 CG ARG A 55 -8.149 -7.240 9.237 1.00 0.00 C ATOM 872 CD ARG A 55 -8.166 -7.845 10.642 1.00 0.00 C ATOM 873 NE ARG A 55 -9.505 -7.752 11.211 1.00 0.00 N ATOM 874 CZ ARG A 55 -9.713 -7.939 12.511 1.00 0.00 C ATOM 875 NH1 ARG A 55 -8.710 -8.208 13.301 1.00 0.00 N ATOM 876 NH2 ARG A 55 -10.921 -7.852 12.995 1.00 0.00 N ATOM 0 H ARG A 55 -8.388 -7.283 6.054 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.196 -5.798 7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.432 -8.404 8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.028 -6.827 9.279 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.451 -6.194 9.276 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.866 -7.756 8.598 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.851 -8.888 10.601 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.454 -7.322 11.280 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.295 -7.540 10.602 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.766 -8.275 12.921 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.870 -8.351 14.298 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.704 -7.641 12.377 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.083 -7.995 13.992 1.00 0.00 H new ATOM 890 N THR A 56 -5.098 -6.549 5.453 1.00 0.00 N ATOM 891 CA THR A 56 -3.761 -6.406 4.874 1.00 0.00 C ATOM 892 C THR A 56 -3.715 -5.191 3.957 1.00 0.00 C ATOM 893 O THR A 56 -4.745 -4.745 3.449 1.00 0.00 O ATOM 894 CB THR A 56 -3.403 -7.664 4.075 1.00 0.00 C ATOM 895 OG1 THR A 56 -3.614 -8.813 4.883 1.00 0.00 O ATOM 896 CG2 THR A 56 -1.934 -7.602 3.646 1.00 0.00 C ATOM 0 H THR A 56 -5.854 -6.569 4.768 1.00 0.00 H new ATOM 0 HA THR A 56 -3.041 -6.272 5.681 1.00 0.00 H new ATOM 0 HB THR A 56 -4.035 -7.721 3.188 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.550 -8.842 5.173 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.683 -8.498 3.078 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.773 -6.721 3.024 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.299 -7.543 4.530 1.00 0.00 H new ATOM 904 N VAL A 57 -2.512 -4.660 3.753 1.00 0.00 N ATOM 905 CA VAL A 57 -2.320 -3.490 2.898 1.00 0.00 C ATOM 906 C VAL A 57 -1.280 -3.790 1.823 1.00 0.00 C ATOM 907 O VAL A 57 -0.224 -4.354 2.106 1.00 0.00 O ATOM 908 CB VAL A 57 -1.859 -2.299 3.743 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.445 -1.139 2.831 1.00 0.00 C ATOM 910 CG2 VAL A 57 -3.003 -1.849 4.653 1.00 0.00 C ATOM 0 H VAL A 57 -1.654 -5.022 4.169 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.267 -3.246 2.417 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.004 -2.599 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.119 -0.296 3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.627 -1.458 2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.294 -0.837 2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.677 -1.001 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.858 -1.554 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.291 -2.671 5.309 1.00 0.00 H new ATOM 920 N ILE A 58 -1.588 -3.394 0.589 1.00 0.00 N ATOM 921 CA ILE A 58 -0.679 -3.605 -0.537 1.00 0.00 C ATOM 922 C ILE A 58 -0.339 -2.275 -1.198 1.00 0.00 C ATOM 923 O ILE A 58 -1.224 -1.487 -1.523 1.00 0.00 O ATOM 924 CB ILE A 58 -1.328 -4.533 -1.565 1.00 0.00 C ATOM 925 CG1 ILE A 58 -0.358 -4.774 -2.725 1.00 0.00 C ATOM 926 CG2 ILE A 58 -2.618 -3.899 -2.096 1.00 0.00 C ATOM 927 CD1 ILE A 58 -0.985 -5.757 -3.713 1.00 0.00 C ATOM 0 H ILE A 58 -2.460 -2.925 0.343 1.00 0.00 H new ATOM 0 HA ILE A 58 0.237 -4.062 -0.163 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.566 -5.484 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.131 -3.833 -3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.585 -5.171 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.076 -4.564 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.310 -3.737 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.387 -2.944 -2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.297 -5.930 -4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.190 -6.701 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.917 -5.342 -4.097 1.00 0.00 H new ATOM 939 N VAL A 59 0.954 -2.043 -1.397 1.00 0.00 N ATOM 940 CA VAL A 59 1.423 -0.814 -2.031 1.00 0.00 C ATOM 941 C VAL A 59 2.657 -1.091 -2.879 1.00 0.00 C ATOM 942 O VAL A 59 3.579 -1.783 -2.448 1.00 0.00 O ATOM 943 CB VAL A 59 1.746 0.237 -0.962 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.691 -0.367 0.074 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.416 1.455 -1.609 1.00 0.00 C ATOM 0 H VAL A 59 1.696 -2.689 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 59 0.634 -0.433 -2.679 1.00 0.00 H new ATOM 0 HB VAL A 59 0.820 0.551 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.922 0.379 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.215 -1.228 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.612 -0.684 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.642 2.196 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.340 1.145 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.743 1.891 -2.348 1.00 0.00 H new ATOM 955 N VAL A 60 2.674 -0.528 -4.086 1.00 0.00 N ATOM 956 CA VAL A 60 3.807 -0.696 -4.993 1.00 0.00 C ATOM 957 C VAL A 60 4.634 0.581 -5.022 1.00 0.00 C ATOM 958 O VAL A 60 4.103 1.675 -5.218 1.00 0.00 O ATOM 959 CB VAL A 60 3.312 -1.018 -6.403 1.00 0.00 C ATOM 960 CG1 VAL A 60 4.510 -1.177 -7.337 1.00 0.00 C ATOM 961 CG2 VAL A 60 2.511 -2.322 -6.376 1.00 0.00 C ATOM 0 H VAL A 60 1.918 0.047 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 60 4.424 -1.521 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 60 2.676 -0.208 -6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.159 -1.407 -8.343 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.083 -0.250 -7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.144 -1.988 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.157 -2.553 -7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.147 -3.132 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.657 -2.211 -5.708 1.00 0.00 H new ATOM 971 N HIS A 61 5.935 0.435 -4.811 1.00 0.00 N ATOM 972 CA HIS A 61 6.835 1.581 -4.799 1.00 0.00 C ATOM 973 C HIS A 61 8.264 1.145 -5.112 1.00 0.00 C ATOM 974 O HIS A 61 8.608 -0.029 -4.973 1.00 0.00 O ATOM 975 CB HIS A 61 6.793 2.250 -3.416 1.00 0.00 C ATOM 976 CG HIS A 61 7.520 1.392 -2.413 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.844 1.617 -2.068 1.00 0.00 N ATOM 978 CD2 HIS A 61 7.123 0.302 -1.683 1.00 0.00 C ATOM 979 CE1 HIS A 61 9.192 0.685 -1.162 1.00 0.00 C ATOM 980 NE2 HIS A 61 8.179 -0.143 -0.891 1.00 0.00 N ATOM 0 H HIS A 61 6.390 -0.463 -4.646 1.00 0.00 H new ATOM 0 HA HIS A 61 6.511 2.289 -5.562 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.253 3.237 -3.465 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.759 2.395 -3.103 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.140 -0.144 -1.717 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.170 0.615 -0.709 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.179 -0.931 -0.244 1.00 0.00 H new ATOM 989 N ASP A 62 9.095 2.103 -5.504 1.00 0.00 N ATOM 990 CA ASP A 62 10.492 1.815 -5.813 1.00 0.00 C ATOM 991 C ASP A 62 11.321 1.782 -4.532 1.00 0.00 C ATOM 992 O ASP A 62 11.401 2.775 -3.809 1.00 0.00 O ATOM 993 CB ASP A 62 11.055 2.880 -6.756 1.00 0.00 C ATOM 994 CG ASP A 62 12.402 2.428 -7.307 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.727 1.264 -7.144 1.00 0.00 O ATOM 996 OD2 ASP A 62 13.092 3.255 -7.884 1.00 0.00 O ATOM 0 H ASP A 62 8.829 3.081 -5.615 1.00 0.00 H new ATOM 0 HA ASP A 62 10.543 0.841 -6.299 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.358 3.057 -7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.169 3.825 -6.225 1.00 0.00 H new ATOM 1001 N SER A 63 11.931 0.634 -4.257 1.00 0.00 N ATOM 1002 CA SER A 63 12.745 0.482 -3.057 1.00 0.00 C ATOM 1003 C SER A 63 13.881 1.492 -3.049 1.00 0.00 C ATOM 1004 O SER A 63 14.187 2.086 -2.015 1.00 0.00 O ATOM 1005 CB SER A 63 13.326 -0.930 -2.995 1.00 0.00 C ATOM 1006 OG SER A 63 14.372 -0.962 -2.032 1.00 0.00 O ATOM 0 H SER A 63 11.878 -0.199 -4.844 1.00 0.00 H new ATOM 0 HA SER A 63 12.109 0.655 -2.189 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.548 -1.645 -2.729 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.707 -1.223 -3.973 1.00 0.00 H new ATOM 0 HG SER A 63 14.748 -1.866 -1.987 1.00 0.00 H new ATOM 1012 N LEU A 64 14.515 1.678 -4.201 1.00 0.00 N ATOM 1013 CA LEU A 64 15.627 2.613 -4.294 1.00 0.00 C ATOM 1014 C LEU A 64 15.165 4.028 -3.947 1.00 0.00 C ATOM 1015 O LEU A 64 15.759 4.693 -3.099 1.00 0.00 O ATOM 1016 CB LEU A 64 16.200 2.592 -5.721 1.00 0.00 C ATOM 1017 CG LEU A 64 17.657 3.084 -5.727 1.00 0.00 C ATOM 1018 CD1 LEU A 64 18.237 2.927 -7.139 1.00 0.00 C ATOM 1019 CD2 LEU A 64 17.726 4.558 -5.296 1.00 0.00 C ATOM 0 H LEU A 64 14.282 1.201 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 64 16.399 2.313 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.151 1.580 -6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.595 3.224 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 64 18.238 2.489 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 64 19.270 3.275 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 64 18.204 1.877 -7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.649 3.517 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.764 4.892 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 64 17.143 5.167 -5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 64 17.320 4.662 -4.290 1.00 0.00 H new ATOM 1031 N LEU A 65 14.106 4.487 -4.605 1.00 0.00 N ATOM 1032 CA LEU A 65 13.604 5.831 -4.353 1.00 0.00 C ATOM 1033 C LEU A 65 13.108 5.962 -2.916 1.00 0.00 C ATOM 1034 O LEU A 65 13.438 6.920 -2.219 1.00 0.00 O ATOM 1035 CB LEU A 65 12.459 6.140 -5.334 1.00 0.00 C ATOM 1036 CG LEU A 65 12.323 7.657 -5.544 1.00 0.00 C ATOM 1037 CD1 LEU A 65 11.242 7.927 -6.599 1.00 0.00 C ATOM 1038 CD2 LEU A 65 11.951 8.352 -4.223 1.00 0.00 C ATOM 0 H LEU A 65 13.586 3.958 -5.305 1.00 0.00 H new ATOM 0 HA LEU A 65 14.416 6.544 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.649 5.650 -6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.523 5.735 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 65 13.278 8.056 -5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.142 9.002 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.524 7.452 -7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.291 7.519 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.859 9.425 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.002 7.958 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.729 8.166 -3.482 1.00 0.00 H new ATOM 1050 N ILE A 66 12.328 4.984 -2.469 1.00 0.00 N ATOM 1051 CA ILE A 66 11.799 5.005 -1.109 1.00 0.00 C ATOM 1052 C ILE A 66 11.789 3.602 -0.534 1.00 0.00 C ATOM 1053 O ILE A 66 11.398 2.647 -1.204 1.00 0.00 O ATOM 1054 CB ILE A 66 10.381 5.575 -1.110 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.919 5.781 0.332 1.00 0.00 C ATOM 1056 CG2 ILE A 66 9.425 4.608 -1.817 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.579 6.517 0.340 1.00 0.00 C ATOM 0 H ILE A 66 12.050 4.173 -3.022 1.00 0.00 H new ATOM 0 HA ILE A 66 12.437 5.637 -0.492 1.00 0.00 H new ATOM 0 HB ILE A 66 10.379 6.528 -1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.820 4.819 0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.663 6.354 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.417 5.024 -1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.752 4.461 -2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.425 3.651 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.250 6.663 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.693 7.486 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.837 5.927 -0.197 1.00 0.00 H new ATOM 1069 N SER A 67 12.231 3.472 0.711 1.00 0.00 N ATOM 1070 CA SER A 67 12.277 2.164 1.352 1.00 0.00 C ATOM 1071 C SER A 67 10.931 1.819 2.008 1.00 0.00 C ATOM 1072 O SER A 67 10.187 2.719 2.403 1.00 0.00 O ATOM 1073 CB SER A 67 13.387 2.133 2.405 1.00 0.00 C ATOM 1074 OG SER A 67 14.632 1.921 1.754 1.00 0.00 O ATOM 0 H SER A 67 12.559 4.245 1.290 1.00 0.00 H new ATOM 0 HA SER A 67 12.485 1.420 0.583 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.407 3.071 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.199 1.339 3.128 1.00 0.00 H new ATOM 0 HG SER A 67 15.350 1.901 2.420 1.00 0.00 H new ATOM 1080 N PRO A 68 10.610 0.545 2.153 1.00 0.00 N ATOM 1081 CA PRO A 68 9.332 0.108 2.805 1.00 0.00 C ATOM 1082 C PRO A 68 9.158 0.713 4.202 1.00 0.00 C ATOM 1083 O PRO A 68 8.044 1.022 4.623 1.00 0.00 O ATOM 1084 CB PRO A 68 9.466 -1.425 2.896 1.00 0.00 C ATOM 1085 CG PRO A 68 10.447 -1.800 1.836 1.00 0.00 C ATOM 1086 CD PRO A 68 11.411 -0.619 1.709 1.00 0.00 C ATOM 0 HA PRO A 68 8.460 0.434 2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.816 -1.731 3.882 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.505 -1.914 2.733 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.981 -2.711 2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.942 -1.994 0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.295 -0.756 2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.759 -0.496 0.683 1.00 0.00 H new ATOM 1094 N PHE A 69 10.267 0.859 4.920 1.00 0.00 N ATOM 1095 CA PHE A 69 10.229 1.403 6.274 1.00 0.00 C ATOM 1096 C PHE A 69 9.623 2.799 6.277 1.00 0.00 C ATOM 1097 O PHE A 69 8.889 3.167 7.194 1.00 0.00 O ATOM 1098 CB PHE A 69 11.644 1.461 6.856 1.00 0.00 C ATOM 1099 CG PHE A 69 12.175 0.061 7.036 1.00 0.00 C ATOM 1100 CD1 PHE A 69 11.832 -0.678 8.176 1.00 0.00 C ATOM 1101 CD2 PHE A 69 13.013 -0.499 6.066 1.00 0.00 C ATOM 1102 CE1 PHE A 69 12.326 -1.978 8.341 1.00 0.00 C ATOM 1103 CE2 PHE A 69 13.507 -1.799 6.231 1.00 0.00 C ATOM 1104 CZ PHE A 69 13.164 -2.538 7.370 1.00 0.00 C ATOM 0 H PHE A 69 11.199 0.610 4.589 1.00 0.00 H new ATOM 0 HA PHE A 69 9.609 0.749 6.887 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.298 2.026 6.192 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.633 1.983 7.813 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.187 -0.245 8.927 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.279 0.072 5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.060 -2.549 9.218 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.152 -2.231 5.480 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.546 -3.540 7.499 1.00 0.00 H new ATOM 1114 N GLN A 70 9.936 3.576 5.247 1.00 0.00 N ATOM 1115 CA GLN A 70 9.415 4.932 5.148 1.00 0.00 C ATOM 1116 C GLN A 70 7.890 4.916 5.077 1.00 0.00 C ATOM 1117 O GLN A 70 7.221 5.723 5.724 1.00 0.00 O ATOM 1118 CB GLN A 70 9.986 5.618 3.897 1.00 0.00 C ATOM 1119 CG GLN A 70 9.963 7.140 4.075 1.00 0.00 C ATOM 1120 CD GLN A 70 8.531 7.618 4.294 1.00 0.00 C ATOM 1121 OE1 GLN A 70 8.287 8.491 5.126 1.00 0.00 O ATOM 1122 NE2 GLN A 70 7.564 7.092 3.593 1.00 0.00 N ATOM 0 H GLN A 70 10.542 3.294 4.476 1.00 0.00 H new ATOM 0 HA GLN A 70 9.717 5.487 6.036 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.007 5.280 3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.402 5.338 3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.584 7.424 4.924 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.386 7.624 3.195 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.769 6.368 2.904 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.603 7.404 3.734 1.00 0.00 H new ATOM 1131 N ILE A 71 7.346 3.998 4.284 1.00 0.00 N ATOM 1132 CA ILE A 71 5.899 3.899 4.135 1.00 0.00 C ATOM 1133 C ILE A 71 5.250 3.529 5.467 1.00 0.00 C ATOM 1134 O ILE A 71 4.234 4.105 5.853 1.00 0.00 O ATOM 1135 CB ILE A 71 5.555 2.842 3.080 1.00 0.00 C ATOM 1136 CG1 ILE A 71 6.011 3.330 1.704 1.00 0.00 C ATOM 1137 CG2 ILE A 71 4.042 2.608 3.056 1.00 0.00 C ATOM 1138 CD1 ILE A 71 5.938 2.174 0.703 1.00 0.00 C ATOM 0 H ILE A 71 7.879 3.319 3.740 1.00 0.00 H new ATOM 0 HA ILE A 71 5.515 4.867 3.815 1.00 0.00 H new ATOM 0 HB ILE A 71 6.062 1.909 3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.380 4.154 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.030 3.712 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.802 1.856 2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.712 2.261 4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.533 3.541 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.263 2.521 -0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.587 1.364 1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.912 1.813 0.638 1.00 0.00 H new ATOM 1150 N ALA A 72 5.842 2.565 6.160 1.00 0.00 N ATOM 1151 CA ALA A 72 5.310 2.127 7.443 1.00 0.00 C ATOM 1152 C ALA A 72 5.411 3.241 8.479 1.00 0.00 C ATOM 1153 O ALA A 72 4.498 3.440 9.280 1.00 0.00 O ATOM 1154 CB ALA A 72 6.084 0.906 7.932 1.00 0.00 C ATOM 0 H ALA A 72 6.684 2.075 5.858 1.00 0.00 H new ATOM 0 HA ALA A 72 4.260 1.868 7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.683 0.581 8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.986 0.099 7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.137 1.165 8.047 1.00 0.00 H new ATOM 1160 N LYS A 73 6.527 3.960 8.458 1.00 0.00 N ATOM 1161 CA LYS A 73 6.738 5.048 9.404 1.00 0.00 C ATOM 1162 C LYS A 73 5.714 6.155 9.184 1.00 0.00 C ATOM 1163 O LYS A 73 5.200 6.735 10.138 1.00 0.00 O ATOM 1164 CB LYS A 73 8.150 5.616 9.241 1.00 0.00 C ATOM 1165 CG LYS A 73 8.405 6.668 10.322 1.00 0.00 C ATOM 1166 CD LYS A 73 9.838 7.192 10.200 1.00 0.00 C ATOM 1167 CE LYS A 73 10.095 8.232 11.291 1.00 0.00 C ATOM 1168 NZ LYS A 73 11.495 8.734 11.176 1.00 0.00 N ATOM 0 H LYS A 73 7.294 3.811 7.802 1.00 0.00 H new ATOM 0 HA LYS A 73 6.619 4.655 10.414 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.886 4.816 9.317 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.263 6.061 8.252 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.696 7.490 10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.248 6.235 11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.547 6.369 10.293 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.992 7.636 9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.391 9.059 11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.935 7.791 12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.672 9.442 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.158 7.941 11.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.632 9.170 10.242 1.00 0.00 H new ATOM 1182 N ALA A 74 5.425 6.443 7.919 1.00 0.00 N ATOM 1183 CA ALA A 74 4.464 7.489 7.588 1.00 0.00 C ATOM 1184 C ALA A 74 3.080 7.138 8.125 1.00 0.00 C ATOM 1185 O ALA A 74 2.367 7.998 8.636 1.00 0.00 O ATOM 1186 CB ALA A 74 4.391 7.667 6.071 1.00 0.00 C ATOM 0 H ALA A 74 5.838 5.972 7.114 1.00 0.00 H new ATOM 0 HA ALA A 74 4.795 8.419 8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.671 8.450 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.373 7.947 5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.076 6.731 5.610 1.00 0.00 H new ATOM 1192 N LEU A 75 2.710 5.872 8.004 1.00 0.00 N ATOM 1193 CA LEU A 75 1.411 5.413 8.483 1.00 0.00 C ATOM 1194 C LEU A 75 1.322 5.534 10.002 1.00 0.00 C ATOM 1195 O LEU A 75 0.277 5.892 10.545 1.00 0.00 O ATOM 1196 CB LEU A 75 1.188 3.960 8.064 1.00 0.00 C ATOM 1197 CG LEU A 75 1.007 3.879 6.541 1.00 0.00 C ATOM 1198 CD1 LEU A 75 1.128 2.420 6.099 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -0.373 4.431 6.124 1.00 0.00 C ATOM 0 H LEU A 75 3.287 5.145 7.580 1.00 0.00 H new ATOM 0 HA LEU A 75 0.637 6.040 8.040 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.037 3.349 8.371 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.308 3.558 8.566 1.00 0.00 H new ATOM 0 HG LEU A 75 1.779 4.481 6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.000 2.355 5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.112 2.038 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.358 1.826 6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.480 4.364 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.159 3.846 6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.457 5.473 6.433 1.00 0.00 H new ATOM 1211 N ASN A 76 2.421 5.225 10.678 1.00 0.00 N ATOM 1212 CA ASN A 76 2.457 5.290 12.133 1.00 0.00 C ATOM 1213 C ASN A 76 2.164 6.707 12.617 1.00 0.00 C ATOM 1214 O ASN A 76 1.665 6.902 13.725 1.00 0.00 O ATOM 1215 CB ASN A 76 3.833 4.853 12.637 1.00 0.00 C ATOM 1216 CG ASN A 76 4.013 3.354 12.426 1.00 0.00 C ATOM 1217 OD1 ASN A 76 3.034 2.625 12.270 1.00 0.00 O ATOM 1218 ND2 ASN A 76 5.216 2.848 12.410 1.00 0.00 N ATOM 0 H ASN A 76 3.295 4.928 10.245 1.00 0.00 H new ATOM 0 HA ASN A 76 1.692 4.620 12.527 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.614 5.399 12.108 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.936 5.095 13.695 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.346 1.846 12.268 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.026 3.454 12.540 1.00 0.00 H new ATOM 1225 N GLU A 77 2.479 7.693 11.784 1.00 0.00 N ATOM 1226 CA GLU A 77 2.246 9.088 12.148 1.00 0.00 C ATOM 1227 C GLU A 77 0.823 9.275 12.661 1.00 0.00 C ATOM 1228 O GLU A 77 0.570 10.120 13.521 1.00 0.00 O ATOM 1229 CB GLU A 77 2.468 9.989 10.932 1.00 0.00 C ATOM 1230 CG GLU A 77 3.921 9.878 10.465 1.00 0.00 C ATOM 1231 CD GLU A 77 4.854 10.439 11.531 1.00 0.00 C ATOM 1232 OE1 GLU A 77 4.380 11.191 12.368 1.00 0.00 O ATOM 1233 OE2 GLU A 77 6.028 10.109 11.497 1.00 0.00 O ATOM 0 H GLU A 77 2.892 7.556 10.861 1.00 0.00 H new ATOM 0 HA GLU A 77 2.947 9.359 12.937 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.794 9.700 10.126 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.236 11.023 11.187 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.169 8.836 10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.054 10.423 9.530 1.00 0.00 H new ATOM 1240 N ALA A 78 -0.106 8.486 12.128 1.00 0.00 N ATOM 1241 CA ALA A 78 -1.505 8.573 12.538 1.00 0.00 C ATOM 1242 C ALA A 78 -1.754 7.713 13.776 1.00 0.00 C ATOM 1243 O ALA A 78 -2.826 7.132 13.928 1.00 0.00 O ATOM 1244 CB ALA A 78 -2.413 8.110 11.396 1.00 0.00 C ATOM 0 H ALA A 78 0.083 7.782 11.414 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.731 9.611 12.781 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.455 8.178 11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.254 8.745 10.525 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.178 7.077 11.140 1.00 0.00 H new ATOM 1250 N ARG A 79 -0.757 7.638 14.654 1.00 0.00 N ATOM 1251 CA ARG A 79 -0.872 6.845 15.876 1.00 0.00 C ATOM 1252 C ARG A 79 -1.138 5.378 15.547 1.00 0.00 C ATOM 1253 O ARG A 79 -1.645 4.627 16.383 1.00 0.00 O ATOM 1254 CB ARG A 79 -2.003 7.385 16.756 1.00 0.00 C ATOM 1255 CG ARG A 79 -1.661 8.804 17.208 1.00 0.00 C ATOM 1256 CD ARG A 79 -2.849 9.393 17.965 1.00 0.00 C ATOM 1257 NE ARG A 79 -3.092 8.636 19.187 1.00 0.00 N ATOM 1258 CZ ARG A 79 -4.135 8.906 19.965 1.00 0.00 C ATOM 1259 NH1 ARG A 79 -4.958 9.867 19.643 1.00 0.00 N ATOM 1260 NH2 ARG A 79 -4.334 8.214 21.054 1.00 0.00 N ATOM 0 H ARG A 79 0.138 8.115 14.543 1.00 0.00 H new ATOM 0 HA ARG A 79 0.072 6.919 16.416 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.942 7.384 16.202 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.144 6.739 17.623 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.778 8.791 17.847 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.421 9.425 16.345 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.653 10.437 18.208 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.737 9.374 17.334 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.451 7.887 19.449 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.800 10.410 18.794 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.759 10.074 20.240 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.689 7.466 21.308 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.135 8.422 21.651 1.00 0.00 H new ATOM 1274 N LEU A 80 -0.782 4.973 14.329 1.00 0.00 N ATOM 1275 CA LEU A 80 -0.970 3.587 13.895 1.00 0.00 C ATOM 1276 C LEU A 80 0.300 2.777 14.152 1.00 0.00 C ATOM 1277 O LEU A 80 1.306 3.308 14.620 1.00 0.00 O ATOM 1278 CB LEU A 80 -1.337 3.545 12.392 1.00 0.00 C ATOM 1279 CG LEU A 80 -2.859 3.471 12.208 1.00 0.00 C ATOM 1280 CD1 LEU A 80 -3.505 4.739 12.756 1.00 0.00 C ATOM 1281 CD2 LEU A 80 -3.182 3.341 10.718 1.00 0.00 C ATOM 0 H LEU A 80 -0.363 5.582 13.626 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.787 3.147 14.468 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.948 4.432 11.892 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.866 2.682 11.921 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.247 2.606 12.746 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.586 4.683 12.624 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.274 4.836 13.817 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.118 5.605 12.220 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.262 3.288 10.583 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.792 4.207 10.184 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.722 2.435 10.324 1.00 0.00 H new ATOM 1293 N GLU A 81 0.232 1.486 13.841 1.00 0.00 N ATOM 1294 CA GLU A 81 1.368 0.588 14.037 1.00 0.00 C ATOM 1295 C GLU A 81 1.553 -0.305 12.814 1.00 0.00 C ATOM 1296 O GLU A 81 1.314 -1.511 12.873 1.00 0.00 O ATOM 1297 CB GLU A 81 1.125 -0.279 15.272 1.00 0.00 C ATOM 1298 CG GLU A 81 1.118 0.609 16.519 1.00 0.00 C ATOM 1299 CD GLU A 81 0.838 -0.235 17.758 1.00 0.00 C ATOM 1300 OE1 GLU A 81 0.624 -1.426 17.605 1.00 0.00 O ATOM 1301 OE2 GLU A 81 0.844 0.324 18.842 1.00 0.00 O ATOM 0 H GLU A 81 -0.597 1.037 13.452 1.00 0.00 H new ATOM 0 HA GLU A 81 2.270 1.183 14.178 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.175 -0.805 15.180 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.902 -1.038 15.356 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.079 1.113 16.622 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.360 1.385 16.419 1.00 0.00 H new ATOM 1308 N ALA A 82 1.986 0.296 11.711 1.00 0.00 N ATOM 1309 CA ALA A 82 2.208 -0.457 10.482 1.00 0.00 C ATOM 1310 C ALA A 82 3.407 -1.384 10.640 1.00 0.00 C ATOM 1311 O ALA A 82 4.394 -1.028 11.286 1.00 0.00 O ATOM 1312 CB ALA A 82 2.453 0.505 9.317 1.00 0.00 C ATOM 0 H ALA A 82 2.189 1.293 11.642 1.00 0.00 H new ATOM 0 HA ALA A 82 1.321 -1.056 10.275 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.618 -0.065 8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.584 1.151 9.190 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.331 1.115 9.528 1.00 0.00 H new ATOM 1318 N ASN A 83 3.319 -2.575 10.051 1.00 0.00 N ATOM 1319 CA ASN A 83 4.408 -3.550 10.135 1.00 0.00 C ATOM 1320 C ASN A 83 4.561 -4.282 8.805 1.00 0.00 C ATOM 1321 O ASN A 83 3.584 -4.768 8.241 1.00 0.00 O ATOM 1322 CB ASN A 83 4.110 -4.560 11.243 1.00 0.00 C ATOM 1323 CG ASN A 83 3.579 -3.832 12.470 1.00 0.00 C ATOM 1324 OD1 ASN A 83 4.317 -3.101 13.130 1.00 0.00 O ATOM 1325 ND2 ASN A 83 2.329 -3.984 12.810 1.00 0.00 N ATOM 0 H ASN A 83 2.511 -2.888 9.513 1.00 0.00 H new ATOM 0 HA ASN A 83 5.336 -3.025 10.361 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.379 -5.290 10.896 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.015 -5.112 11.499 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.959 -3.496 13.626 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.721 -4.591 12.260 1.00 0.00 H new ATOM 1332 N VAL A 84 5.791 -4.359 8.310 1.00 0.00 N ATOM 1333 CA VAL A 84 6.049 -5.034 7.044 1.00 0.00 C ATOM 1334 C VAL A 84 6.114 -6.542 7.249 1.00 0.00 C ATOM 1335 O VAL A 84 7.042 -7.053 7.873 1.00 0.00 O ATOM 1336 CB VAL A 84 7.371 -4.543 6.454 1.00 0.00 C ATOM 1337 CG1 VAL A 84 7.480 -4.993 4.996 1.00 0.00 C ATOM 1338 CG2 VAL A 84 7.430 -3.015 6.524 1.00 0.00 C ATOM 0 H VAL A 84 6.618 -3.967 8.761 1.00 0.00 H new ATOM 0 HA VAL A 84 5.235 -4.805 6.356 1.00 0.00 H new ATOM 0 HB VAL A 84 8.199 -4.963 7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.423 -4.642 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.444 -6.081 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.651 -4.576 4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.373 -2.668 6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.601 -2.592 5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.357 -2.695 7.564 1.00 0.00 H new ATOM 1348 N ARG A 85 5.121 -7.250 6.717 1.00 0.00 N ATOM 1349 CA ARG A 85 5.072 -8.699 6.849 1.00 0.00 C ATOM 1350 C ARG A 85 5.109 -9.102 8.322 1.00 0.00 C ATOM 1351 O ARG A 85 5.594 -8.353 9.168 1.00 0.00 O ATOM 1352 CB ARG A 85 6.247 -9.333 6.099 1.00 0.00 C ATOM 1353 CG ARG A 85 6.138 -10.858 6.164 1.00 0.00 C ATOM 1354 CD ARG A 85 7.217 -11.488 5.282 1.00 0.00 C ATOM 1355 NE ARG A 85 8.542 -11.198 5.816 1.00 0.00 N ATOM 1356 CZ ARG A 85 9.640 -11.550 5.154 1.00 0.00 C ATOM 1357 NH1 ARG A 85 9.540 -12.164 4.007 1.00 0.00 N ATOM 1358 NH2 ARG A 85 10.816 -11.284 5.653 1.00 0.00 N ATOM 0 H ARG A 85 4.345 -6.845 6.194 1.00 0.00 H new ATOM 0 HA ARG A 85 4.139 -9.058 6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.248 -9.003 5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.190 -9.007 6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.252 -11.197 7.194 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.150 -11.177 5.831 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.068 -12.566 5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.135 -11.103 4.265 1.00 0.00 H new ATOM 0 HE ARG A 85 8.628 -10.717 6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.620 -12.373 3.619 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.382 -12.434 3.498 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.893 -10.806 6.551 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.658 -11.554 5.145 1.00 0.00 H new ATOM 1372 N VAL A 86 4.587 -10.291 8.620 1.00 0.00 N ATOM 1373 CA VAL A 86 4.556 -10.793 9.996 1.00 0.00 C ATOM 1374 C VAL A 86 5.123 -12.205 10.053 1.00 0.00 C ATOM 1375 O VAL A 86 5.290 -12.859 9.022 1.00 0.00 O ATOM 1376 CB VAL A 86 3.120 -10.796 10.520 1.00 0.00 C ATOM 1377 CG1 VAL A 86 2.586 -9.364 10.550 1.00 0.00 C ATOM 1378 CG2 VAL A 86 2.242 -11.649 9.598 1.00 0.00 C ATOM 0 H VAL A 86 4.181 -10.924 7.931 1.00 0.00 H new ATOM 0 HA VAL A 86 5.165 -10.139 10.620 1.00 0.00 H new ATOM 0 HB VAL A 86 3.101 -11.212 11.527 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.562 -9.365 10.924 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.210 -8.756 11.205 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.604 -8.948 9.543 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.218 -11.652 9.971 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.260 -11.233 8.591 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.623 -12.670 9.576 1.00 0.00 H new ATOM 1388 N ASN A 87 5.422 -12.666 11.262 1.00 0.00 N ATOM 1389 CA ASN A 87 5.981 -14.002 11.449 1.00 0.00 C ATOM 1390 C ASN A 87 5.294 -15.006 10.528 1.00 0.00 C ATOM 1391 O ASN A 87 4.067 -15.040 10.436 1.00 0.00 O ATOM 1392 CB ASN A 87 5.799 -14.437 12.904 1.00 0.00 C ATOM 1393 CG ASN A 87 6.682 -13.592 13.817 1.00 0.00 C ATOM 1394 OD1 ASN A 87 7.664 -13.004 13.363 1.00 0.00 O ATOM 1395 ND2 ASN A 87 6.386 -13.491 15.084 1.00 0.00 N ATOM 0 H ASN A 87 5.288 -12.138 12.124 1.00 0.00 H new ATOM 0 HA ASN A 87 7.043 -13.971 11.204 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.754 -14.331 13.196 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.055 -15.491 13.011 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.969 -12.924 15.700 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.572 -13.979 15.458 1.00 0.00 H new ATOM 1402 N GLY A 88 6.094 -15.816 9.842 1.00 0.00 N ATOM 1403 CA GLY A 88 5.549 -16.810 8.925 1.00 0.00 C ATOM 1404 C GLY A 88 4.650 -17.794 9.663 1.00 0.00 C ATOM 1405 O GLY A 88 5.129 -18.736 10.296 1.00 0.00 O ATOM 0 H GLY A 88 7.112 -15.804 9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.982 -16.313 8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.363 -17.348 8.440 1.00 0.00 H new ATOM 1409 N GLU A 89 3.342 -17.569 9.577 1.00 0.00 N ATOM 1410 CA GLU A 89 2.381 -18.443 10.240 1.00 0.00 C ATOM 1411 C GLU A 89 2.386 -19.824 9.595 1.00 0.00 C ATOM 1412 O GLU A 89 2.208 -20.836 10.274 1.00 0.00 O ATOM 1413 CB GLU A 89 0.978 -17.839 10.155 1.00 0.00 C ATOM 1414 CG GLU A 89 -0.001 -18.701 10.956 1.00 0.00 C ATOM 1415 CD GLU A 89 -1.393 -18.079 10.919 1.00 0.00 C ATOM 1416 OE1 GLU A 89 -1.594 -17.169 10.134 1.00 0.00 O ATOM 1417 OE2 GLU A 89 -2.238 -18.527 11.677 1.00 0.00 O ATOM 0 H GLU A 89 2.926 -16.795 9.059 1.00 0.00 H new ATOM 0 HA GLU A 89 2.667 -18.542 11.287 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.985 -16.821 10.545 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.659 -17.780 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.033 -19.709 10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.340 -18.790 11.988 1.00 0.00 H new ATOM 1424 N THR A 90 2.583 -19.859 8.280 1.00 0.00 N ATOM 1425 CA THR A 90 2.602 -21.124 7.554 1.00 0.00 C ATOM 1426 C THR A 90 1.447 -22.016 7.995 1.00 0.00 C ATOM 1427 O THR A 90 1.656 -23.141 8.449 1.00 0.00 O ATOM 1428 CB THR A 90 3.929 -21.845 7.800 1.00 0.00 C ATOM 1429 OG1 THR A 90 4.132 -21.992 9.198 1.00 0.00 O ATOM 1430 CG2 THR A 90 5.076 -21.032 7.197 1.00 0.00 C ATOM 0 H THR A 90 2.731 -19.033 7.700 1.00 0.00 H new ATOM 0 HA THR A 90 2.494 -20.912 6.490 1.00 0.00 H new ATOM 0 HB THR A 90 3.901 -22.828 7.330 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.266 -21.978 9.657 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.020 -21.548 7.374 1.00 0.00 H new ATOM 0 HG22 THR A 90 4.919 -20.921 6.124 1.00 0.00 H new ATOM 0 HG23 THR A 90 5.108 -20.047 7.663 1.00 0.00 H new ATOM 1438 N SER A 91 0.226 -21.507 7.857 1.00 0.00 N ATOM 1439 CA SER A 91 -0.956 -22.267 8.241 1.00 0.00 C ATOM 1440 C SER A 91 -1.312 -23.286 7.163 1.00 0.00 C ATOM 1441 O SER A 91 -0.993 -23.098 5.989 1.00 0.00 O ATOM 1442 CB SER A 91 -2.137 -21.321 8.459 1.00 0.00 C ATOM 1443 OG SER A 91 -2.279 -20.477 7.323 1.00 0.00 O ATOM 0 H SER A 91 0.031 -20.578 7.485 1.00 0.00 H new ATOM 0 HA SER A 91 -0.738 -22.797 9.168 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.051 -21.893 8.618 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.977 -20.721 9.355 1.00 0.00 H new ATOM 0 HG SER A 91 -3.037 -19.870 7.459 1.00 0.00 H new ATOM 1449 N PHE A 92 -1.978 -24.360 7.572 1.00 0.00 N ATOM 1450 CA PHE A 92 -2.383 -25.406 6.638 1.00 0.00 C ATOM 1451 C PHE A 92 -3.566 -26.190 7.192 1.00 0.00 C ATOM 1452 O PHE A 92 -3.823 -26.173 8.395 1.00 0.00 O ATOM 1453 CB PHE A 92 -1.215 -26.356 6.370 1.00 0.00 C ATOM 1454 CG PHE A 92 -0.169 -25.650 5.538 1.00 0.00 C ATOM 1455 CD1 PHE A 92 -0.412 -25.404 4.181 1.00 0.00 C ATOM 1456 CD2 PHE A 92 1.039 -25.243 6.117 1.00 0.00 C ATOM 1457 CE1 PHE A 92 0.551 -24.751 3.404 1.00 0.00 C ATOM 1458 CE2 PHE A 92 2.003 -24.588 5.340 1.00 0.00 C ATOM 1459 CZ PHE A 92 1.760 -24.343 3.984 1.00 0.00 C ATOM 0 H PHE A 92 -2.249 -24.530 8.541 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.682 -24.933 5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.781 -26.690 7.312 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.569 -27.246 5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.343 -25.719 3.734 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.228 -25.434 7.163 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.363 -24.561 2.358 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.934 -24.272 5.788 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.504 -23.840 3.384 1.00 0.00 H new ATOM 1469 N LYS A 93 -4.279 -26.880 6.306 1.00 0.00 N ATOM 1470 CA LYS A 93 -5.437 -27.678 6.708 1.00 0.00 C ATOM 1471 C LYS A 93 -5.478 -28.988 5.929 1.00 0.00 C ATOM 1472 O LYS A 93 -5.244 -29.011 4.719 1.00 0.00 O ATOM 1473 CB LYS A 93 -6.723 -26.885 6.458 1.00 0.00 C ATOM 1474 CG LYS A 93 -6.799 -26.480 4.984 1.00 0.00 C ATOM 1475 CD LYS A 93 -8.038 -25.612 4.758 1.00 0.00 C ATOM 1476 CE LYS A 93 -8.104 -25.193 3.288 1.00 0.00 C ATOM 1477 NZ LYS A 93 -9.313 -24.352 3.068 1.00 0.00 N ATOM 0 H LYS A 93 -4.077 -26.904 5.306 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.353 -27.907 7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.591 -27.487 6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.744 -25.998 7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.901 -25.932 4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.844 -27.368 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.937 -26.164 5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.999 -24.730 5.398 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.206 -24.637 3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.139 -26.075 2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.360 -24.066 2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.164 -24.897 3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.260 -23.505 3.669 1.00 0.00 H new ATOM 1491 N ASN A 94 -5.776 -30.078 6.631 1.00 0.00 N ATOM 1492 CA ASN A 94 -5.851 -31.395 6.001 1.00 0.00 C ATOM 1493 C ASN A 94 -7.285 -31.706 5.594 1.00 0.00 C ATOM 1494 O ASN A 94 -8.110 -32.078 6.429 1.00 0.00 O ATOM 1495 CB ASN A 94 -5.354 -32.465 6.975 1.00 0.00 C ATOM 1496 CG ASN A 94 -3.860 -32.289 7.221 1.00 0.00 C ATOM 1497 OD1 ASN A 94 -3.114 -31.951 6.302 1.00 0.00 O ATOM 1498 ND2 ASN A 94 -3.375 -32.494 8.415 1.00 0.00 N ATOM 0 H ASN A 94 -5.969 -30.077 7.633 1.00 0.00 H new ATOM 0 HA ASN A 94 -5.222 -31.392 5.111 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -5.898 -32.392 7.917 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -5.550 -33.458 6.570 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -2.377 -32.374 8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -3.994 -32.774 9.176 1.00 0.00 H new ATOM 1505 N LYS A 95 -7.578 -31.550 4.306 1.00 0.00 N ATOM 1506 CA LYS A 95 -8.919 -31.820 3.794 1.00 0.00 C ATOM 1507 C LYS A 95 -9.033 -33.275 3.355 1.00 0.00 C ATOM 1508 O LYS A 95 -8.293 -33.728 2.481 1.00 0.00 O ATOM 1509 CB LYS A 95 -9.215 -30.901 2.605 1.00 0.00 C ATOM 1510 CG LYS A 95 -10.654 -31.124 2.133 1.00 0.00 C ATOM 1511 CD LYS A 95 -10.980 -30.146 1.004 1.00 0.00 C ATOM 1512 CE LYS A 95 -12.428 -30.352 0.555 1.00 0.00 C ATOM 1513 NZ LYS A 95 -12.560 -31.688 -0.092 1.00 0.00 N ATOM 0 H LYS A 95 -6.909 -31.240 3.601 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.642 -31.631 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.073 -29.859 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.519 -31.105 1.792 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.779 -32.150 1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.346 -30.981 2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.835 -29.120 1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.302 -30.303 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.099 -30.282 1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.719 -29.567 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.431 -31.715 -0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.740 -31.857 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.601 -32.426 0.640 1.00 0.00 H new ATOM 1527 N TRP A 96 -9.963 -34.000 3.965 1.00 0.00 N ATOM 1528 CA TRP A 96 -10.170 -35.407 3.629 1.00 0.00 C ATOM 1529 C TRP A 96 -8.834 -36.123 3.453 1.00 0.00 C ATOM 1530 O TRP A 96 -8.203 -36.412 4.459 1.00 0.00 O ATOM 1531 CB TRP A 96 -10.985 -35.516 2.338 1.00 0.00 C ATOM 1532 CG TRP A 96 -12.412 -35.152 2.612 1.00 0.00 C ATOM 1533 CD1 TRP A 96 -12.830 -33.959 3.093 1.00 0.00 C ATOM 1534 CD2 TRP A 96 -13.609 -35.961 2.426 1.00 0.00 C ATOM 1535 NE1 TRP A 96 -14.207 -33.986 3.218 1.00 0.00 N ATOM 1536 CE2 TRP A 96 -14.734 -35.198 2.818 1.00 0.00 C ATOM 1537 CE3 TRP A 96 -13.825 -37.270 1.960 1.00 0.00 C ATOM 1538 CZ2 TRP A 96 -16.027 -35.716 2.751 1.00 0.00 C ATOM 1539 CZ3 TRP A 96 -15.126 -37.795 1.890 1.00 0.00 C ATOM 1540 CH2 TRP A 96 -16.225 -37.019 2.285 1.00 0.00 C ATOM 1541 OXT TRP A 96 -8.461 -36.373 2.320 1.00 0.00 O ATOM 0 H TRP A 96 -10.583 -33.641 4.691 1.00 0.00 H new ATOM 0 HA TRP A 96 -10.714 -35.881 4.446 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -10.570 -34.855 1.577 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -10.927 -36.531 1.944 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -12.193 -33.122 3.339 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -14.765 -33.206 3.564 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -12.985 -37.876 1.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -16.870 -35.114 3.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -15.281 -38.801 1.530 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -17.223 -37.427 2.229 1.00 0.00 H new TER 1552 TRP A 96 HETATM 1553 ZN ZN A 201 -12.936 4.697 12.233 1.00 0.00 ZN HETATM 1554 O HOH A 301 -14.505 5.986 13.076 1.00 0.00 O