USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 762 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 HIS : no HD1:sc= -0.955 X(o=-3.8,f=-4.2) USER MOD Set 1.2: B 46 MET CE :methyl 158:sc= -2.8! (180deg=-5.31!) USER MOD Set 2.1: A 46 MET CE :methyl 163:sc= -1.73 (180deg=-2.24) USER MOD Set 2.2: B 24 HIS : no HD1:sc= -1.33 K(o=-3.1,f=-5.9!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -177:sc= 1.01 (180deg=0.778) USER MOD Set 3.2: A 43 ASN : amide:sc= 0.308 K(o=1.3,f=-3.9!) USER MOD Single : A 5 GLN : amide:sc=-0.00357 K(o=-0.0036,f=-0.84) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= 2.42 (180deg=2.07) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0.944 (180deg=0.734) USER MOD Single : A 15 LYS NZ :NH3+ -146:sc= -1.01 (180deg=-2.82!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 28 HIS : no HD1:sc= -0.0225 X(o=-0.022,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -79:sc= 1.28 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0.911 (180deg=0.756) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0149 (180deg=-0.187) USER MOD Single : B 7 LYS NZ :NH3+ -164:sc= 1.05 (180deg=0.387) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 LYS NZ :NH3+ 164:sc= -0.0414 (180deg=-0.408) USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 13 LYS NZ :NH3+ -167:sc= 1.2 (180deg=1.04) USER MOD Single : B 14 LYS NZ :NH3+ 175:sc= 0.631 (180deg=0.443) USER MOD Single : B 15 LYS NZ :NH3+ -141:sc= -0.445 (180deg=-2.24!) USER MOD Single : B 19 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 28 HIS : no HD1:sc= -0.0255 X(o=-0.025,f=-0.029) USER MOD Single : B 30 LYS NZ :NH3+ -152:sc= 1.11 (180deg=0.591) USER MOD Single : B 35 SER OG : rot -86:sc= 1.22 USER MOD Single : B 40 LYS NZ :NH3+ 176:sc=-0.00135 (180deg=-0.0417) USER MOD Single : B 43 ASN : amide:sc= 1.05 K(o=1.1,f=-0.044) USER MOD Single : B 44 LYS NZ :NH3+ 167:sc= 1.17 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 15.746 -13.488 3.394 1.00 0.00 N ATOM 60 CA GLN A 5 16.574 -12.300 3.223 1.00 0.00 C ATOM 61 C GLN A 5 15.847 -11.314 2.320 1.00 0.00 C ATOM 62 O GLN A 5 15.908 -10.094 2.522 1.00 0.00 O ATOM 63 CB GLN A 5 17.915 -12.676 2.602 1.00 0.00 C ATOM 64 CG GLN A 5 18.754 -13.607 3.450 1.00 0.00 C ATOM 65 CD GLN A 5 19.998 -14.079 2.731 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.017 -14.216 1.489 1.00 0.00 O ATOM 67 NE2 GLN A 5 21.035 -14.325 3.472 1.00 0.00 N ATOM 0 HA GLN A 5 16.757 -11.844 4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.735 -13.147 1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.483 -11.765 2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.041 -13.097 4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.155 -14.471 3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.980 -14.201 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.905 -14.642 3.043 1.00 0.00 H new ATOM 76 N LEU A 6 15.161 -11.861 1.332 1.00 0.00 N ATOM 77 CA LEU A 6 14.337 -11.098 0.417 1.00 0.00 C ATOM 78 C LEU A 6 13.224 -10.404 1.214 1.00 0.00 C ATOM 79 O LEU A 6 12.964 -9.220 1.025 1.00 0.00 O ATOM 80 CB LEU A 6 13.780 -12.056 -0.678 1.00 0.00 C ATOM 81 CG LEU A 6 12.953 -11.473 -1.857 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.555 -11.074 -1.439 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.665 -10.291 -2.494 1.00 0.00 C ATOM 0 H LEU A 6 15.162 -12.863 1.142 1.00 0.00 H new ATOM 0 HA LEU A 6 14.915 -10.323 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.628 -12.590 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.157 -12.797 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 6 12.861 -12.270 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.019 -10.673 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.026 -11.947 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.611 -10.314 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 6 13.063 -9.904 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.809 -9.508 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.635 -10.612 -2.874 1.00 0.00 H new ATOM 95 N LYS A 7 12.594 -11.147 2.117 1.00 0.00 N ATOM 96 CA LYS A 7 11.576 -10.593 2.992 1.00 0.00 C ATOM 97 C LYS A 7 12.140 -9.514 3.876 1.00 0.00 C ATOM 98 O LYS A 7 11.486 -8.508 4.122 1.00 0.00 O ATOM 99 CB LYS A 7 10.898 -11.678 3.822 1.00 0.00 C ATOM 100 CG LYS A 7 9.519 -12.024 3.314 1.00 0.00 C ATOM 101 CD LYS A 7 8.520 -10.884 3.578 1.00 0.00 C ATOM 102 CE LYS A 7 8.080 -10.808 5.035 1.00 0.00 C ATOM 103 NZ LYS A 7 7.038 -9.766 5.244 1.00 0.00 N ATOM 0 H LYS A 7 12.774 -12.141 2.260 1.00 0.00 H new ATOM 0 HA LYS A 7 10.816 -10.141 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.518 -12.574 3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.826 -11.346 4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.565 -12.229 2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.169 -12.936 3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.974 -9.936 3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.643 -11.022 2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.693 -11.777 5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.943 -10.591 5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.801 -9.710 6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.398 -8.845 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.186 -10.014 4.702 1.00 0.00 H new ATOM 117 N ASN A 8 13.356 -9.711 4.325 1.00 0.00 N ATOM 118 CA ASN A 8 14.039 -8.721 5.139 1.00 0.00 C ATOM 119 C ASN A 8 14.243 -7.427 4.329 1.00 0.00 C ATOM 120 O ASN A 8 14.085 -6.333 4.852 1.00 0.00 O ATOM 121 CB ASN A 8 15.373 -9.282 5.671 1.00 0.00 C ATOM 122 CG ASN A 8 16.131 -8.329 6.587 1.00 0.00 C ATOM 123 OD1 ASN A 8 15.543 -7.499 7.292 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.434 -8.454 6.603 1.00 0.00 N ATOM 0 H ASN A 8 13.901 -10.553 4.141 1.00 0.00 H new ATOM 0 HA ASN A 8 13.423 -8.481 6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.175 -10.207 6.212 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.010 -9.538 4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.996 -7.857 7.209 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.887 -9.149 6.009 1.00 0.00 H new ATOM 131 N LYS A 9 14.554 -7.577 3.039 1.00 0.00 N ATOM 132 CA LYS A 9 14.678 -6.433 2.115 1.00 0.00 C ATOM 133 C LYS A 9 13.329 -5.749 1.945 1.00 0.00 C ATOM 134 O LYS A 9 13.250 -4.531 1.882 1.00 0.00 O ATOM 135 CB LYS A 9 15.175 -6.886 0.729 1.00 0.00 C ATOM 136 CG LYS A 9 16.598 -7.409 0.690 1.00 0.00 C ATOM 137 CD LYS A 9 17.623 -6.311 0.958 1.00 0.00 C ATOM 138 CE LYS A 9 17.645 -5.268 -0.158 1.00 0.00 C ATOM 139 NZ LYS A 9 18.652 -4.219 0.086 1.00 0.00 N ATOM 0 H LYS A 9 14.727 -8.483 2.603 1.00 0.00 H new ATOM 0 HA LYS A 9 15.402 -5.741 2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.509 -7.665 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.095 -6.045 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.713 -8.200 1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.793 -7.855 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.394 -5.824 1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.613 -6.755 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.855 -5.758 -1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.659 -4.811 -0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.634 -3.532 -0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.437 -3.733 0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.596 -4.651 0.145 1.00 0.00 H new ATOM 153 N ILE A 10 12.283 -6.549 1.861 1.00 0.00 N ATOM 154 CA ILE A 10 10.925 -6.048 1.736 1.00 0.00 C ATOM 155 C ILE A 10 10.534 -5.237 2.949 1.00 0.00 C ATOM 156 O ILE A 10 10.056 -4.120 2.813 1.00 0.00 O ATOM 157 CB ILE A 10 9.917 -7.198 1.487 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.158 -7.769 0.099 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.461 -6.744 1.658 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.255 -8.901 -0.273 1.00 0.00 C ATOM 0 H ILE A 10 12.350 -7.567 1.877 1.00 0.00 H new ATOM 0 HA ILE A 10 10.895 -5.391 0.867 1.00 0.00 H new ATOM 0 HB ILE A 10 10.080 -7.972 2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.039 -6.971 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.191 -8.110 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.793 -7.586 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.311 -6.378 2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.243 -5.945 0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.498 -9.245 -1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.389 -9.720 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.219 -8.564 -0.246 1.00 0.00 H new ATOM 172 N GLU A 11 10.769 -5.792 4.127 1.00 0.00 N ATOM 173 CA GLU A 11 10.493 -5.095 5.371 1.00 0.00 C ATOM 174 C GLU A 11 11.317 -3.820 5.428 1.00 0.00 C ATOM 175 O GLU A 11 10.804 -2.762 5.750 1.00 0.00 O ATOM 176 CB GLU A 11 10.808 -5.990 6.581 1.00 0.00 C ATOM 177 CG GLU A 11 10.018 -7.305 6.630 1.00 0.00 C ATOM 178 CD GLU A 11 8.524 -7.115 6.747 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.007 -6.964 7.879 1.00 0.00 O ATOM 180 OE2 GLU A 11 7.814 -7.125 5.724 1.00 0.00 O ATOM 0 H GLU A 11 11.153 -6.729 4.247 1.00 0.00 H new ATOM 0 HA GLU A 11 9.433 -4.843 5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.873 -6.222 6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.608 -5.428 7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.232 -7.880 5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.367 -7.896 7.477 1.00 0.00 H new ATOM 187 N ASN A 12 12.572 -3.939 5.044 1.00 0.00 N ATOM 188 CA ASN A 12 13.530 -2.832 5.024 1.00 0.00 C ATOM 189 C ASN A 12 13.018 -1.685 4.137 1.00 0.00 C ATOM 190 O ASN A 12 12.879 -0.542 4.591 1.00 0.00 O ATOM 191 CB ASN A 12 14.864 -3.335 4.444 1.00 0.00 C ATOM 192 CG ASN A 12 16.008 -2.348 4.552 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.149 -1.443 3.735 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.885 -2.584 5.480 1.00 0.00 N ATOM 0 H ASN A 12 12.971 -4.823 4.729 1.00 0.00 H new ATOM 0 HA ASN A 12 13.661 -2.467 6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.145 -4.255 4.957 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.717 -3.588 3.394 1.00 0.00 H new ATOM 0 HD21 ASN A 12 17.724 -2.008 5.547 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.735 -3.345 6.142 1.00 0.00 H new ATOM 201 N LYS A 13 12.684 -2.026 2.902 1.00 0.00 N ATOM 202 CA LYS A 13 12.260 -1.071 1.887 1.00 0.00 C ATOM 203 C LYS A 13 10.898 -0.460 2.238 1.00 0.00 C ATOM 204 O LYS A 13 10.674 0.745 2.048 1.00 0.00 O ATOM 205 CB LYS A 13 12.220 -1.772 0.517 1.00 0.00 C ATOM 206 CG LYS A 13 11.987 -0.856 -0.680 1.00 0.00 C ATOM 207 CD LYS A 13 13.069 0.204 -0.804 1.00 0.00 C ATOM 208 CE LYS A 13 14.462 -0.365 -1.027 1.00 0.00 C ATOM 209 NZ LYS A 13 15.464 0.716 -1.134 1.00 0.00 N ATOM 0 H LYS A 13 12.700 -2.990 2.570 1.00 0.00 H new ATOM 0 HA LYS A 13 12.977 -0.251 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.162 -2.300 0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.432 -2.525 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.957 -1.452 -1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.015 -0.372 -0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.821 0.868 -1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.075 0.811 0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.724 -1.029 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.472 -0.966 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.361 0.324 -1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.122 1.443 -1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.615 1.143 -0.198 1.00 0.00 H new ATOM 223 N LYS A 14 10.007 -1.298 2.749 1.00 0.00 N ATOM 224 CA LYS A 14 8.698 -0.900 3.226 1.00 0.00 C ATOM 225 C LYS A 14 8.870 0.164 4.296 1.00 0.00 C ATOM 226 O LYS A 14 8.248 1.206 4.247 1.00 0.00 O ATOM 227 CB LYS A 14 8.006 -2.129 3.830 1.00 0.00 C ATOM 228 CG LYS A 14 6.591 -1.924 4.351 1.00 0.00 C ATOM 229 CD LYS A 14 6.065 -3.206 5.005 1.00 0.00 C ATOM 230 CE LYS A 14 6.787 -3.517 6.306 1.00 0.00 C ATOM 231 NZ LYS A 14 6.447 -4.856 6.842 1.00 0.00 N ATOM 0 H LYS A 14 10.183 -2.298 2.844 1.00 0.00 H new ATOM 0 HA LYS A 14 8.097 -0.501 2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.981 -2.913 3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.621 -2.498 4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.579 -1.109 5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.935 -1.632 3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.997 -3.103 5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.185 -4.041 4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.863 -3.458 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.535 -2.759 7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.075 -5.080 7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.459 -4.859 7.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.568 -5.570 6.095 1.00 0.00 H new ATOM 245 N LYS A 15 9.767 -0.102 5.236 1.00 0.00 N ATOM 246 CA LYS A 15 10.041 0.812 6.332 1.00 0.00 C ATOM 247 C LYS A 15 10.661 2.111 5.855 1.00 0.00 C ATOM 248 O LYS A 15 10.354 3.171 6.407 1.00 0.00 O ATOM 249 CB LYS A 15 10.889 0.148 7.399 1.00 0.00 C ATOM 250 CG LYS A 15 10.174 -0.993 8.103 1.00 0.00 C ATOM 251 CD LYS A 15 11.062 -1.737 9.099 1.00 0.00 C ATOM 252 CE LYS A 15 11.282 -0.983 10.426 1.00 0.00 C ATOM 253 NZ LYS A 15 12.043 0.283 10.291 1.00 0.00 N ATOM 0 H LYS A 15 10.323 -0.957 5.259 1.00 0.00 H new ATOM 0 HA LYS A 15 9.082 1.071 6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.804 -0.230 6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.184 0.894 8.137 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.303 -0.599 8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.806 -1.698 7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.615 -2.708 9.314 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.030 -1.927 8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.311 -0.764 10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.810 -1.638 11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.629 0.428 11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.655 0.232 9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.380 1.077 10.188 1.00 0.00 H new ATOM 267 N GLU A 16 11.522 2.036 4.826 1.00 0.00 N ATOM 268 CA GLU A 16 12.083 3.244 4.204 1.00 0.00 C ATOM 269 C GLU A 16 10.958 4.119 3.706 1.00 0.00 C ATOM 270 O GLU A 16 10.940 5.342 3.924 1.00 0.00 O ATOM 271 CB GLU A 16 12.968 2.924 2.993 1.00 0.00 C ATOM 272 CG GLU A 16 14.301 2.271 3.258 1.00 0.00 C ATOM 273 CD GLU A 16 15.106 2.216 1.981 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.257 3.265 1.339 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.559 1.134 1.566 1.00 0.00 O ATOM 0 H GLU A 16 11.841 1.160 4.412 1.00 0.00 H new ATOM 0 HA GLU A 16 12.685 3.738 4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.402 2.274 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.150 3.854 2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.846 2.831 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.152 1.264 3.649 1.00 0.00 H new ATOM 282 N LEU A 17 10.021 3.471 3.059 1.00 0.00 N ATOM 283 CA LEU A 17 8.882 4.104 2.476 1.00 0.00 C ATOM 284 C LEU A 17 7.958 4.658 3.537 1.00 0.00 C ATOM 285 O LEU A 17 7.499 5.788 3.414 1.00 0.00 O ATOM 286 CB LEU A 17 8.179 3.111 1.518 1.00 0.00 C ATOM 287 CG LEU A 17 6.785 3.454 0.974 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.696 3.181 1.967 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.719 4.858 0.410 1.00 0.00 C ATOM 0 H LEU A 17 10.038 2.460 2.924 1.00 0.00 H new ATOM 0 HA LEU A 17 9.202 4.964 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.837 2.959 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.103 2.154 2.035 1.00 0.00 H new ATOM 0 HG LEU A 17 6.606 2.778 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.732 3.441 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.701 2.123 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.862 3.779 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.713 5.054 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.962 5.576 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.434 4.956 -0.407 1.00 0.00 H new ATOM 301 N ILE A 18 7.685 3.867 4.560 1.00 0.00 N ATOM 302 CA ILE A 18 6.801 4.280 5.637 1.00 0.00 C ATOM 303 C ILE A 18 7.293 5.581 6.243 1.00 0.00 C ATOM 304 O ILE A 18 6.511 6.475 6.502 1.00 0.00 O ATOM 305 CB ILE A 18 6.661 3.189 6.737 1.00 0.00 C ATOM 306 CG1 ILE A 18 5.989 1.935 6.168 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.858 3.717 7.945 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.144 0.727 7.054 1.00 0.00 C ATOM 0 H ILE A 18 8.066 2.927 4.668 1.00 0.00 H new ATOM 0 HA ILE A 18 5.811 4.430 5.207 1.00 0.00 H new ATOM 0 HB ILE A 18 7.663 2.929 7.078 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.928 2.135 6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.413 1.716 5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.776 2.933 8.698 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.369 4.579 8.373 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.861 4.012 7.618 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.646 -0.127 6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.203 0.504 7.183 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.695 0.929 8.026 1.00 0.00 H new ATOM 320 N GLN A 19 8.600 5.687 6.397 1.00 0.00 N ATOM 321 CA GLN A 19 9.220 6.891 6.920 1.00 0.00 C ATOM 322 C GLN A 19 9.001 8.073 5.977 1.00 0.00 C ATOM 323 O GLN A 19 8.753 9.186 6.424 1.00 0.00 O ATOM 324 CB GLN A 19 10.697 6.684 7.127 1.00 0.00 C ATOM 325 CG GLN A 19 11.050 5.624 8.134 1.00 0.00 C ATOM 326 CD GLN A 19 12.537 5.493 8.315 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.204 4.726 7.612 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.066 6.215 9.248 1.00 0.00 N ATOM 0 H GLN A 19 9.260 4.945 6.164 1.00 0.00 H new ATOM 0 HA GLN A 19 8.751 7.112 7.879 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.151 6.423 6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.141 7.628 7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.588 5.865 9.091 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.638 4.667 7.813 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.480 6.836 9.806 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.069 6.164 9.426 1.00 0.00 H new ATOM 337 N LEU A 20 9.082 7.818 4.674 1.00 0.00 N ATOM 338 CA LEU A 20 8.860 8.854 3.666 1.00 0.00 C ATOM 339 C LEU A 20 7.416 9.327 3.712 1.00 0.00 C ATOM 340 O LEU A 20 7.147 10.530 3.719 1.00 0.00 O ATOM 341 CB LEU A 20 9.216 8.360 2.257 1.00 0.00 C ATOM 342 CG LEU A 20 10.684 7.986 2.011 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.869 7.499 0.589 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.604 9.170 2.286 1.00 0.00 C ATOM 0 H LEU A 20 9.301 6.899 4.289 1.00 0.00 H new ATOM 0 HA LEU A 20 9.519 9.691 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.601 7.488 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.938 9.136 1.544 1.00 0.00 H new ATOM 0 HG LEU A 20 10.949 7.183 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.915 7.237 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.245 6.621 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.581 8.288 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.638 8.877 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.340 9.997 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.493 9.484 3.324 1.00 0.00 H new ATOM 356 N VAL A 21 6.490 8.377 3.737 1.00 0.00 N ATOM 357 CA VAL A 21 5.080 8.693 3.908 1.00 0.00 C ATOM 358 C VAL A 21 4.849 9.455 5.233 1.00 0.00 C ATOM 359 O VAL A 21 4.164 10.465 5.264 1.00 0.00 O ATOM 360 CB VAL A 21 4.235 7.400 3.876 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.761 7.676 4.069 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.454 6.695 2.571 1.00 0.00 C ATOM 0 H VAL A 21 6.691 7.382 3.641 1.00 0.00 H new ATOM 0 HA VAL A 21 4.768 9.336 3.085 1.00 0.00 H new ATOM 0 HB VAL A 21 4.558 6.770 4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.208 6.737 4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.604 8.159 5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.406 8.332 3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.859 5.782 2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.154 7.347 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.509 6.443 2.466 1.00 0.00 H new ATOM 372 N ALA A 22 5.469 8.981 6.289 1.00 0.00 N ATOM 373 CA ALA A 22 5.370 9.570 7.611 1.00 0.00 C ATOM 374 C ALA A 22 5.824 11.034 7.621 1.00 0.00 C ATOM 375 O ALA A 22 5.096 11.920 8.096 1.00 0.00 O ATOM 376 CB ALA A 22 6.182 8.752 8.591 1.00 0.00 C ATOM 0 H ALA A 22 6.070 8.158 6.256 1.00 0.00 H new ATOM 0 HA ALA A 22 4.322 9.560 7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.107 9.195 9.584 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.799 7.732 8.619 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.226 8.739 8.277 1.00 0.00 H new ATOM 382 N ARG A 23 6.993 11.291 7.049 1.00 0.00 N ATOM 383 CA ARG A 23 7.549 12.640 6.978 1.00 0.00 C ATOM 384 C ARG A 23 6.743 13.569 6.073 1.00 0.00 C ATOM 385 O ARG A 23 6.913 14.784 6.121 1.00 0.00 O ATOM 386 CB ARG A 23 9.036 12.667 6.621 1.00 0.00 C ATOM 387 CG ARG A 23 9.409 12.038 5.303 1.00 0.00 C ATOM 388 CD ARG A 23 10.865 12.302 4.967 1.00 0.00 C ATOM 389 NE ARG A 23 11.099 13.738 4.787 1.00 0.00 N ATOM 390 CZ ARG A 23 12.223 14.317 4.375 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.338 13.609 4.216 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.232 15.624 4.175 1.00 0.00 N ATOM 0 H ARG A 23 7.582 10.576 6.622 1.00 0.00 H new ATOM 0 HA ARG A 23 7.466 13.028 7.993 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.369 13.705 6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.589 12.161 7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.231 10.963 5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.772 12.436 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.503 11.921 5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.137 11.767 4.057 1.00 0.00 H new ATOM 0 HE ARG A 23 10.318 14.358 5.000 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.339 12.608 4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.192 14.067 3.899 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.386 16.171 4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.085 16.086 3.859 1.00 0.00 H new ATOM 406 N HIS A 24 5.914 12.992 5.210 1.00 0.00 N ATOM 407 CA HIS A 24 5.026 13.771 4.344 1.00 0.00 C ATOM 408 C HIS A 24 4.069 14.639 5.187 1.00 0.00 C ATOM 409 O HIS A 24 3.690 15.741 4.773 1.00 0.00 O ATOM 410 CB HIS A 24 4.227 12.843 3.392 1.00 0.00 C ATOM 411 CG HIS A 24 3.234 13.550 2.483 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.912 13.789 2.810 1.00 0.00 N ATOM 413 CD2 HIS A 24 3.394 14.057 1.236 1.00 0.00 C ATOM 414 CE1 HIS A 24 1.337 14.412 1.781 1.00 0.00 C ATOM 415 NE2 HIS A 24 2.194 14.600 0.799 1.00 0.00 N ATOM 0 H HIS A 24 5.836 11.982 5.089 1.00 0.00 H new ATOM 0 HA HIS A 24 5.642 14.432 3.734 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.933 12.290 2.772 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.688 12.110 3.992 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.314 14.041 0.670 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.303 14.722 1.756 1.00 0.00 H new ATOM 0 HE2 HIS A 24 2.013 15.051 -0.098 1.00 0.00 H new ATOM 423 N GLY A 25 3.709 14.159 6.369 1.00 0.00 N ATOM 424 CA GLY A 25 2.818 14.927 7.217 1.00 0.00 C ATOM 425 C GLY A 25 2.016 14.083 8.179 1.00 0.00 C ATOM 426 O GLY A 25 1.384 14.621 9.099 1.00 0.00 O ATOM 0 H GLY A 25 4.013 13.264 6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.404 15.650 7.784 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.133 15.495 6.588 1.00 0.00 H new ATOM 430 N LEU A 26 2.025 12.771 7.973 1.00 0.00 N ATOM 431 CA LEU A 26 1.298 11.827 8.803 1.00 0.00 C ATOM 432 C LEU A 26 1.578 11.956 10.280 1.00 0.00 C ATOM 433 O LEU A 26 2.676 12.318 10.702 1.00 0.00 O ATOM 434 CB LEU A 26 1.612 10.407 8.393 1.00 0.00 C ATOM 435 CG LEU A 26 0.872 9.842 7.197 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.185 10.574 5.907 1.00 0.00 C ATOM 437 CD2 LEU A 26 1.141 8.364 7.094 1.00 0.00 C ATOM 0 H LEU A 26 2.545 12.331 7.214 1.00 0.00 H new ATOM 0 HA LEU A 26 0.247 12.067 8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.681 10.345 8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.414 9.759 9.247 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.195 9.996 7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.625 10.123 5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.903 11.622 6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.253 10.504 5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.609 7.956 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.211 8.197 6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.798 7.868 8.002 1.00 0.00 H new ATOM 449 N ASP A 27 0.579 11.633 11.050 1.00 0.00 N ATOM 450 CA ASP A 27 0.683 11.614 12.491 1.00 0.00 C ATOM 451 C ASP A 27 1.166 10.250 12.918 1.00 0.00 C ATOM 452 O ASP A 27 1.335 9.364 12.079 1.00 0.00 O ATOM 453 CB ASP A 27 -0.659 11.908 13.163 1.00 0.00 C ATOM 454 CG ASP A 27 -1.207 13.262 12.842 1.00 0.00 C ATOM 455 OD1 ASP A 27 -0.720 14.263 13.404 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.141 13.358 12.026 1.00 0.00 O ATOM 0 H ASP A 27 -0.342 11.372 10.697 1.00 0.00 H new ATOM 0 HA ASP A 27 1.383 12.391 12.797 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.382 11.151 12.858 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.542 11.820 14.243 1.00 0.00 H new ATOM 461 N HIS A 28 1.324 10.053 14.201 1.00 0.00 N ATOM 462 CA HIS A 28 1.867 8.800 14.730 1.00 0.00 C ATOM 463 C HIS A 28 0.903 7.657 14.478 1.00 0.00 C ATOM 464 O HIS A 28 1.290 6.603 13.970 1.00 0.00 O ATOM 465 CB HIS A 28 2.187 8.933 16.224 1.00 0.00 C ATOM 466 CG HIS A 28 3.149 10.044 16.523 1.00 0.00 C ATOM 467 ND1 HIS A 28 4.511 9.890 16.604 1.00 0.00 N ATOM 468 CD2 HIS A 28 2.910 11.360 16.738 1.00 0.00 C ATOM 469 CE1 HIS A 28 5.053 11.086 16.853 1.00 0.00 C ATOM 470 NE2 HIS A 28 4.115 12.020 16.948 1.00 0.00 N ATOM 0 H HIS A 28 1.086 10.742 14.915 1.00 0.00 H new ATOM 0 HA HIS A 28 2.798 8.580 14.208 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.262 9.104 16.774 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.603 7.993 16.585 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.935 11.824 16.745 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.112 11.268 16.962 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.250 13.013 17.136 1.00 0.00 H new ATOM 478 N ASP A 29 -0.366 7.908 14.768 1.00 0.00 N ATOM 479 CA ASP A 29 -1.441 6.947 14.537 1.00 0.00 C ATOM 480 C ASP A 29 -1.545 6.622 13.061 1.00 0.00 C ATOM 481 O ASP A 29 -1.747 5.475 12.684 1.00 0.00 O ATOM 482 CB ASP A 29 -2.766 7.501 15.057 1.00 0.00 C ATOM 483 CG ASP A 29 -3.963 6.662 14.667 1.00 0.00 C ATOM 484 OD1 ASP A 29 -4.191 5.593 15.283 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.715 7.082 13.774 1.00 0.00 O ATOM 0 H ASP A 29 -0.683 8.789 15.173 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.213 6.029 15.079 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.720 7.572 16.144 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.902 8.513 14.677 1.00 0.00 H new ATOM 490 N LYS A 30 -1.334 7.635 12.233 1.00 0.00 N ATOM 491 CA LYS A 30 -1.352 7.467 10.791 1.00 0.00 C ATOM 492 C LYS A 30 -0.264 6.495 10.347 1.00 0.00 C ATOM 493 O LYS A 30 -0.515 5.628 9.531 1.00 0.00 O ATOM 494 CB LYS A 30 -1.168 8.800 10.077 1.00 0.00 C ATOM 495 CG LYS A 30 -2.316 9.781 10.210 1.00 0.00 C ATOM 496 CD LYS A 30 -3.574 9.271 9.526 1.00 0.00 C ATOM 497 CE LYS A 30 -4.654 10.335 9.518 1.00 0.00 C ATOM 498 NZ LYS A 30 -5.881 9.880 8.842 1.00 0.00 N ATOM 0 H LYS A 30 -1.147 8.589 12.541 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.327 7.060 10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.263 9.274 10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.003 8.604 9.018 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.522 9.959 11.265 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.028 10.739 9.776 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.342 8.975 8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.938 8.382 10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.890 10.618 10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.277 11.228 9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.590 10.640 8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.663 9.635 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.257 9.043 9.332 1.00 0.00 H new ATOM 512 N VAL A 31 0.934 6.632 10.914 1.00 0.00 N ATOM 513 CA VAL A 31 2.048 5.754 10.596 1.00 0.00 C ATOM 514 C VAL A 31 1.743 4.323 11.061 1.00 0.00 C ATOM 515 O VAL A 31 2.053 3.357 10.360 1.00 0.00 O ATOM 516 CB VAL A 31 3.383 6.268 11.228 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.554 5.360 10.889 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.670 7.686 10.775 1.00 0.00 C ATOM 0 H VAL A 31 1.154 7.352 11.602 1.00 0.00 H new ATOM 0 HA VAL A 31 2.178 5.753 9.514 1.00 0.00 H new ATOM 0 HB VAL A 31 3.259 6.257 12.311 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.462 5.752 11.347 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.359 4.357 11.270 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.681 5.319 9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.602 8.030 11.223 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.759 7.710 9.689 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.855 8.339 11.087 1.00 0.00 H new ATOM 528 N LEU A 32 1.110 4.200 12.220 1.00 0.00 N ATOM 529 CA LEU A 32 0.713 2.898 12.759 1.00 0.00 C ATOM 530 C LEU A 32 -0.285 2.232 11.838 1.00 0.00 C ATOM 531 O LEU A 32 -0.105 1.080 11.454 1.00 0.00 O ATOM 532 CB LEU A 32 0.129 3.045 14.162 1.00 0.00 C ATOM 533 CG LEU A 32 1.039 3.709 15.200 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.361 3.747 16.545 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.382 2.999 15.294 1.00 0.00 C ATOM 0 H LEU A 32 0.857 4.991 12.812 1.00 0.00 H new ATOM 0 HA LEU A 32 1.601 2.270 12.826 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.792 3.623 14.092 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.143 2.055 14.527 1.00 0.00 H new ATOM 0 HG LEU A 32 1.228 4.732 14.876 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.020 4.222 17.272 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.565 4.316 16.469 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.137 2.730 16.868 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.004 3.495 16.039 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.225 1.960 15.585 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.880 3.033 14.325 1.00 0.00 H new ATOM 547 N LEU A 33 -1.302 2.978 11.450 1.00 0.00 N ATOM 548 CA LEU A 33 -2.325 2.490 10.540 1.00 0.00 C ATOM 549 C LEU A 33 -1.715 2.140 9.193 1.00 0.00 C ATOM 550 O LEU A 33 -1.932 1.051 8.676 1.00 0.00 O ATOM 551 CB LEU A 33 -3.420 3.536 10.345 1.00 0.00 C ATOM 552 CG LEU A 33 -4.228 3.935 11.573 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.128 5.109 11.238 1.00 0.00 C ATOM 554 CD2 LEU A 33 -5.060 2.769 12.059 1.00 0.00 C ATOM 0 H LEU A 33 -1.444 3.941 11.756 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.765 1.595 10.980 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.959 4.436 9.937 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.113 3.163 9.591 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.539 4.226 12.366 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.703 5.390 12.120 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.519 5.954 10.918 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.809 4.828 10.435 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.631 3.071 12.937 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.744 2.457 11.270 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.405 1.938 12.320 1.00 0.00 H new ATOM 566 N PHE A 34 -0.925 3.062 8.658 1.00 0.00 N ATOM 567 CA PHE A 34 -0.290 2.901 7.360 1.00 0.00 C ATOM 568 C PHE A 34 0.563 1.660 7.314 1.00 0.00 C ATOM 569 O PHE A 34 0.379 0.818 6.447 1.00 0.00 O ATOM 570 CB PHE A 34 0.557 4.137 7.005 1.00 0.00 C ATOM 571 CG PHE A 34 1.244 4.048 5.667 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.515 4.116 4.507 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.614 3.884 5.576 1.00 0.00 C ATOM 574 CE1 PHE A 34 1.118 4.025 3.281 1.00 0.00 C ATOM 575 CE2 PHE A 34 3.223 3.791 4.341 1.00 0.00 C ATOM 576 CZ PHE A 34 2.465 3.865 3.197 1.00 0.00 C ATOM 0 H PHE A 34 -0.707 3.947 9.116 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.085 2.796 6.621 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.084 5.018 7.014 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.310 4.283 7.779 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.556 4.244 4.562 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.210 3.828 6.475 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.523 4.080 2.381 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.293 3.660 4.274 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.940 3.796 2.230 1.00 0.00 H new ATOM 586 N SER A 35 1.452 1.527 8.278 1.00 0.00 N ATOM 587 CA SER A 35 2.386 0.435 8.292 1.00 0.00 C ATOM 588 C SER A 35 1.692 -0.925 8.369 1.00 0.00 C ATOM 589 O SER A 35 2.043 -1.834 7.631 1.00 0.00 O ATOM 590 CB SER A 35 3.426 0.619 9.404 1.00 0.00 C ATOM 591 OG SER A 35 2.813 0.789 10.674 1.00 0.00 O ATOM 0 H SER A 35 1.542 2.170 9.064 1.00 0.00 H new ATOM 0 HA SER A 35 2.916 0.447 7.339 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.086 -0.248 9.432 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.048 1.486 9.181 1.00 0.00 H new ATOM 0 HG SER A 35 2.491 1.711 10.761 1.00 0.00 H new ATOM 597 N ARG A 36 0.675 -1.043 9.210 1.00 0.00 N ATOM 598 CA ARG A 36 -0.026 -2.311 9.371 1.00 0.00 C ATOM 599 C ARG A 36 -0.942 -2.620 8.175 1.00 0.00 C ATOM 600 O ARG A 36 -1.101 -3.787 7.781 1.00 0.00 O ATOM 601 CB ARG A 36 -0.802 -2.347 10.688 1.00 0.00 C ATOM 602 CG ARG A 36 -1.899 -1.306 10.805 1.00 0.00 C ATOM 603 CD ARG A 36 -2.506 -1.316 12.179 1.00 0.00 C ATOM 604 NE ARG A 36 -3.122 -2.616 12.478 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.123 -3.220 13.669 1.00 0.00 C ATOM 606 NH1 ARG A 36 -2.451 -2.694 14.693 1.00 0.00 N ATOM 607 NH2 ARG A 36 -3.777 -4.373 13.822 1.00 0.00 N ATOM 0 H ARG A 36 0.318 -0.283 9.788 1.00 0.00 H new ATOM 0 HA ARG A 36 0.730 -3.095 9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.244 -3.336 10.807 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.101 -2.210 11.511 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.492 -0.318 10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.671 -1.501 10.061 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.738 -1.095 12.920 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.257 -0.529 12.254 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.589 -3.098 11.710 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.932 -1.825 14.570 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.456 -3.161 15.600 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.272 -4.787 13.032 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.782 -4.840 14.729 1.00 0.00 H new ATOM 621 N ASP A 37 -1.525 -1.584 7.590 1.00 0.00 N ATOM 622 CA ASP A 37 -2.442 -1.741 6.450 1.00 0.00 C ATOM 623 C ASP A 37 -1.639 -2.184 5.239 1.00 0.00 C ATOM 624 O ASP A 37 -2.078 -3.013 4.420 1.00 0.00 O ATOM 625 CB ASP A 37 -3.153 -0.402 6.172 1.00 0.00 C ATOM 626 CG ASP A 37 -4.311 -0.495 5.209 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.167 -1.378 5.393 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.401 0.325 4.277 1.00 0.00 O ATOM 0 H ASP A 37 -1.384 -0.617 7.882 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.200 -2.492 6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.514 0.006 7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.425 0.306 5.777 1.00 0.00 H new ATOM 633 N LEU A 38 -0.449 -1.657 5.179 1.00 0.00 N ATOM 634 CA LEU A 38 0.529 -1.955 4.165 1.00 0.00 C ATOM 635 C LEU A 38 1.140 -3.332 4.382 1.00 0.00 C ATOM 636 O LEU A 38 1.231 -4.127 3.451 1.00 0.00 O ATOM 637 CB LEU A 38 1.572 -0.835 4.193 1.00 0.00 C ATOM 638 CG LEU A 38 2.873 -0.982 3.419 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.637 -1.424 2.004 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.548 0.354 3.403 1.00 0.00 C ATOM 0 H LEU A 38 -0.117 -0.978 5.864 1.00 0.00 H new ATOM 0 HA LEU A 38 0.068 -1.994 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.083 0.071 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.835 -0.664 5.237 1.00 0.00 H new ATOM 0 HG LEU A 38 3.487 -1.741 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.592 -1.516 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.130 -2.389 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.017 -0.688 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.487 0.281 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.899 1.084 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.750 0.672 4.426 1.00 0.00 H new ATOM 652 N ASP A 39 1.512 -3.620 5.611 1.00 0.00 N ATOM 653 CA ASP A 39 2.114 -4.908 5.975 1.00 0.00 C ATOM 654 C ASP A 39 1.184 -6.056 5.615 1.00 0.00 C ATOM 655 O ASP A 39 1.615 -7.076 5.064 1.00 0.00 O ATOM 656 CB ASP A 39 2.424 -4.944 7.474 1.00 0.00 C ATOM 657 CG ASP A 39 3.139 -6.198 7.909 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.378 -6.256 7.776 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.487 -7.134 8.409 1.00 0.00 O ATOM 0 H ASP A 39 1.410 -2.975 6.394 1.00 0.00 H new ATOM 0 HA ASP A 39 3.042 -5.020 5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.035 -4.079 7.732 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.492 -4.854 8.032 1.00 0.00 H new ATOM 664 N LYS A 40 -0.109 -5.852 5.858 1.00 0.00 N ATOM 665 CA LYS A 40 -1.103 -6.873 5.579 1.00 0.00 C ATOM 666 C LYS A 40 -1.221 -7.094 4.074 1.00 0.00 C ATOM 667 O LYS A 40 -1.393 -8.212 3.618 1.00 0.00 O ATOM 668 CB LYS A 40 -2.497 -6.489 6.145 1.00 0.00 C ATOM 669 CG LYS A 40 -3.382 -5.671 5.199 1.00 0.00 C ATOM 670 CD LYS A 40 -4.726 -5.296 5.777 1.00 0.00 C ATOM 671 CE LYS A 40 -5.617 -4.708 4.681 1.00 0.00 C ATOM 672 NZ LYS A 40 -4.996 -3.542 4.010 1.00 0.00 N ATOM 0 H LYS A 40 -0.488 -4.988 6.247 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.773 -7.789 6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.027 -7.403 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.354 -5.922 7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.852 -4.760 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.539 -6.241 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.202 -6.174 6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.597 -4.571 6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.832 -5.478 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.571 -4.408 5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.678 -3.118 3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.722 -2.837 4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.152 -3.851 3.487 1.00 0.00 H new ATOM 686 N LEU A 41 -1.101 -6.006 3.317 1.00 0.00 N ATOM 687 CA LEU A 41 -1.288 -6.024 1.885 1.00 0.00 C ATOM 688 C LEU A 41 -0.176 -6.788 1.234 1.00 0.00 C ATOM 689 O LEU A 41 -0.386 -7.535 0.274 1.00 0.00 O ATOM 690 CB LEU A 41 -1.322 -4.590 1.354 1.00 0.00 C ATOM 691 CG LEU A 41 -1.465 -4.427 -0.155 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.783 -4.997 -0.638 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.329 -2.972 -0.539 1.00 0.00 C ATOM 0 H LEU A 41 -0.870 -5.086 3.691 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.233 -6.514 1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.150 -4.068 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.406 -4.089 1.666 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.665 -4.986 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.861 -4.869 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.832 -6.058 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.606 -4.475 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.433 -2.870 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.106 -2.391 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.350 -2.605 -0.232 1.00 0.00 H new ATOM 705 N ILE A 42 0.979 -6.650 1.805 1.00 0.00 N ATOM 706 CA ILE A 42 2.153 -7.274 1.261 1.00 0.00 C ATOM 707 C ILE A 42 2.072 -8.760 1.465 1.00 0.00 C ATOM 708 O ILE A 42 2.029 -9.511 0.500 1.00 0.00 O ATOM 709 CB ILE A 42 3.460 -6.692 1.864 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.569 -5.211 1.509 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.678 -7.448 1.351 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.807 -4.536 2.034 1.00 0.00 C ATOM 0 H ILE A 42 1.139 -6.108 2.654 1.00 0.00 H new ATOM 0 HA ILE A 42 2.188 -7.061 0.193 1.00 0.00 H new ATOM 0 HB ILE A 42 3.427 -6.804 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.545 -5.107 0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.694 -4.691 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.581 -7.022 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.600 -8.498 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.726 -7.366 0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.804 -3.487 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.825 -4.604 3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.690 -5.027 1.625 1.00 0.00 H new ATOM 724 N ASN A 43 1.934 -9.167 2.706 1.00 0.00 N ATOM 725 CA ASN A 43 1.856 -10.584 3.083 1.00 0.00 C ATOM 726 C ASN A 43 0.695 -11.288 2.381 1.00 0.00 C ATOM 727 O ASN A 43 0.779 -12.482 2.059 1.00 0.00 O ATOM 728 CB ASN A 43 1.749 -10.739 4.604 1.00 0.00 C ATOM 729 CG ASN A 43 3.007 -10.288 5.350 1.00 0.00 C ATOM 730 OD1 ASN A 43 4.142 -10.400 4.847 1.00 0.00 O ATOM 731 ND2 ASN A 43 2.824 -9.754 6.531 1.00 0.00 N ATOM 0 H ASN A 43 1.871 -8.528 3.499 1.00 0.00 H new ATOM 0 HA ASN A 43 2.778 -11.063 2.755 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.897 -10.161 4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.549 -11.784 4.842 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.623 -9.415 7.067 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.882 -9.677 6.915 1.00 0.00 H new ATOM 738 N LYS A 44 -0.374 -10.538 2.134 1.00 0.00 N ATOM 739 CA LYS A 44 -1.538 -11.021 1.394 1.00 0.00 C ATOM 740 C LYS A 44 -1.137 -11.447 -0.016 1.00 0.00 C ATOM 741 O LYS A 44 -1.446 -12.557 -0.458 1.00 0.00 O ATOM 742 CB LYS A 44 -2.575 -9.897 1.309 1.00 0.00 C ATOM 743 CG LYS A 44 -3.775 -10.178 0.408 1.00 0.00 C ATOM 744 CD LYS A 44 -4.654 -8.951 0.252 1.00 0.00 C ATOM 745 CE LYS A 44 -5.339 -8.571 1.552 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.296 -9.603 2.003 1.00 0.00 N ATOM 0 H LYS A 44 -0.459 -9.570 2.444 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.957 -11.883 1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.939 -9.685 2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.079 -8.994 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.427 -10.504 -0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.362 -10.996 0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.049 -8.114 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.407 -9.140 -0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.586 -8.414 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.863 -7.625 1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.905 -9.209 2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.883 -9.907 1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.774 -10.420 2.379 1.00 0.00 H new ATOM 760 N PHE A 45 -0.425 -10.579 -0.696 1.00 0.00 N ATOM 761 CA PHE A 45 -0.007 -10.842 -2.050 1.00 0.00 C ATOM 762 C PHE A 45 1.129 -11.798 -2.127 1.00 0.00 C ATOM 763 O PHE A 45 1.180 -12.610 -3.042 1.00 0.00 O ATOM 764 CB PHE A 45 0.270 -9.561 -2.829 1.00 0.00 C ATOM 765 CG PHE A 45 -0.984 -8.984 -3.380 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.423 -9.375 -4.629 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.750 -8.098 -2.646 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.600 -8.891 -5.138 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.930 -7.602 -3.155 1.00 0.00 C ATOM 770 CZ PHE A 45 -3.358 -8.001 -4.401 1.00 0.00 C ATOM 0 H PHE A 45 -0.122 -9.677 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.852 -11.331 -2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.752 -8.833 -2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.965 -9.770 -3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.834 -10.069 -5.210 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.420 -7.792 -1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.935 -9.205 -6.115 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.517 -6.903 -2.579 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.285 -7.619 -4.802 1.00 0.00 H new ATOM 780 N MET A 46 2.009 -11.752 -1.139 1.00 0.00 N ATOM 781 CA MET A 46 3.163 -12.642 -1.112 1.00 0.00 C ATOM 782 C MET A 46 2.694 -14.072 -0.978 1.00 0.00 C ATOM 783 O MET A 46 3.383 -15.008 -1.397 1.00 0.00 O ATOM 784 CB MET A 46 4.104 -12.333 0.045 1.00 0.00 C ATOM 785 CG MET A 46 4.564 -10.900 0.130 1.00 0.00 C ATOM 786 SD MET A 46 5.910 -10.682 1.284 1.00 0.00 S ATOM 787 CE MET A 46 7.179 -11.525 0.379 1.00 0.00 C ATOM 0 H MET A 46 1.948 -11.111 -0.348 1.00 0.00 H new ATOM 0 HA MET A 46 3.707 -12.493 -2.045 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.605 -12.594 0.978 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.981 -12.975 -0.038 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.878 -10.563 -0.858 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.727 -10.270 0.430 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.155 -11.248 0.777 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.041 -12.602 0.476 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.123 -11.245 -0.673 1.00 0.00 H new ATOM 1151 N LEU B 6 9.042 14.886 -2.743 1.00 0.00 N ATOM 1152 CA LEU B 6 8.900 13.986 -1.606 1.00 0.00 C ATOM 1153 C LEU B 6 8.006 12.823 -2.018 1.00 0.00 C ATOM 1154 O LEU B 6 8.362 11.662 -1.833 1.00 0.00 O ATOM 1155 CB LEU B 6 8.341 14.751 -0.368 1.00 0.00 C ATOM 1156 CG LEU B 6 8.200 13.993 0.991 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.999 13.072 1.018 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.461 13.212 1.320 1.00 0.00 C ATOM 0 HA LEU B 6 9.872 13.590 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.983 15.615 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.356 15.134 -0.635 1.00 0.00 H new ATOM 0 HG LEU B 6 8.048 14.757 1.753 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.947 12.570 1.984 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.091 13.654 0.862 1.00 0.00 H new ATOM 0 HD13 LEU B 6 7.093 12.328 0.227 1.00 0.00 H new ATOM 0 HD21 LEU B 6 9.331 12.696 2.271 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.652 12.482 0.534 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.305 13.898 1.391 1.00 0.00 H new ATOM 1170 N LYS B 7 6.878 13.144 -2.637 1.00 0.00 N ATOM 1171 CA LYS B 7 5.944 12.128 -3.094 1.00 0.00 C ATOM 1172 C LYS B 7 6.568 11.313 -4.210 1.00 0.00 C ATOM 1173 O LYS B 7 6.276 10.144 -4.364 1.00 0.00 O ATOM 1174 CB LYS B 7 4.623 12.765 -3.542 1.00 0.00 C ATOM 1175 CG LYS B 7 3.388 12.153 -2.875 1.00 0.00 C ATOM 1176 CD LYS B 7 3.039 10.732 -3.370 1.00 0.00 C ATOM 1177 CE LYS B 7 2.420 10.739 -4.763 1.00 0.00 C ATOM 1178 NZ LYS B 7 1.894 9.400 -5.148 1.00 0.00 N ATOM 0 H LYS B 7 6.589 14.102 -2.834 1.00 0.00 H new ATOM 0 HA LYS B 7 5.720 11.458 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS B 7 4.652 13.832 -3.323 1.00 0.00 H new ATOM 0 HB3 LYS B 7 4.529 12.664 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.549 12.121 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.533 12.806 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.942 10.121 -3.379 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.346 10.266 -2.670 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.611 11.469 -4.796 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.167 11.057 -5.490 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.733 9.372 -6.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.584 8.667 -4.886 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 0.997 9.224 -4.652 1.00 0.00 H new ATOM 1192 N ASN B 8 7.454 11.934 -4.960 1.00 0.00 N ATOM 1193 CA ASN B 8 8.162 11.251 -6.029 1.00 0.00 C ATOM 1194 C ASN B 8 9.159 10.240 -5.440 1.00 0.00 C ATOM 1195 O ASN B 8 9.382 9.181 -6.007 1.00 0.00 O ATOM 1196 CB ASN B 8 8.863 12.255 -6.952 1.00 0.00 C ATOM 1197 CG ASN B 8 9.393 11.620 -8.225 1.00 0.00 C ATOM 1198 OD1 ASN B 8 8.678 11.520 -9.215 1.00 0.00 O ATOM 1199 ND2 ASN B 8 10.637 11.234 -8.229 1.00 0.00 N ATOM 0 H ASN B 8 7.704 12.917 -4.850 1.00 0.00 H new ATOM 0 HA ASN B 8 7.439 10.704 -6.634 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.164 13.050 -7.213 1.00 0.00 H new ATOM 0 HB3 ASN B 8 9.689 12.720 -6.414 1.00 0.00 H new ATOM 0 HD21 ASN B 8 11.044 10.834 -9.074 1.00 0.00 H new ATOM 0 HD22 ASN B 8 11.204 11.332 -7.387 1.00 0.00 H new ATOM 1206 N LYS B 9 9.740 10.570 -4.278 1.00 0.00 N ATOM 1207 CA LYS B 9 10.618 9.629 -3.559 1.00 0.00 C ATOM 1208 C LYS B 9 9.767 8.492 -3.020 1.00 0.00 C ATOM 1209 O LYS B 9 10.207 7.353 -2.948 1.00 0.00 O ATOM 1210 CB LYS B 9 11.315 10.297 -2.368 1.00 0.00 C ATOM 1211 CG LYS B 9 12.225 11.453 -2.704 1.00 0.00 C ATOM 1212 CD LYS B 9 12.779 12.080 -1.436 1.00 0.00 C ATOM 1213 CE LYS B 9 13.634 13.297 -1.737 1.00 0.00 C ATOM 1214 NZ LYS B 9 12.863 14.342 -2.439 1.00 0.00 N ATOM 0 H LYS B 9 9.621 11.472 -3.817 1.00 0.00 H new ATOM 0 HA LYS B 9 11.378 9.276 -4.257 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.551 10.650 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.898 9.541 -1.842 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.045 11.107 -3.334 1.00 0.00 H new ATOM 0 HG3 LYS B 9 11.676 12.201 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS B 9 11.955 12.367 -0.782 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.373 11.343 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.033 13.701 -0.807 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.487 13.001 -2.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.377 15.245 -2.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.735 14.070 -3.435 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 11.932 14.449 -1.987 1.00 0.00 H new ATOM 1228 N ILE B 10 8.557 8.833 -2.616 1.00 0.00 N ATOM 1229 CA ILE B 10 7.583 7.868 -2.158 1.00 0.00 C ATOM 1230 C ILE B 10 7.262 6.895 -3.283 1.00 0.00 C ATOM 1231 O ILE B 10 7.322 5.692 -3.084 1.00 0.00 O ATOM 1232 CB ILE B 10 6.300 8.573 -1.625 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.636 9.328 -0.331 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.146 7.594 -1.418 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.477 10.066 0.292 1.00 0.00 C ATOM 0 H ILE B 10 8.223 9.797 -2.598 1.00 0.00 H new ATOM 0 HA ILE B 10 8.004 7.307 -1.324 1.00 0.00 H new ATOM 0 HB ILE B 10 5.961 9.285 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.028 8.617 0.396 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.432 10.042 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.274 8.132 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.900 7.116 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.439 6.834 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.811 10.568 1.200 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.096 10.806 -0.412 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.686 9.358 0.539 1.00 0.00 H new ATOM 1247 N GLU B 11 6.979 7.435 -4.468 1.00 0.00 N ATOM 1248 CA GLU B 11 6.745 6.634 -5.672 1.00 0.00 C ATOM 1249 C GLU B 11 7.948 5.755 -5.938 1.00 0.00 C ATOM 1250 O GLU B 11 7.820 4.558 -6.147 1.00 0.00 O ATOM 1251 CB GLU B 11 6.500 7.545 -6.881 1.00 0.00 C ATOM 1252 CG GLU B 11 5.276 8.429 -6.755 1.00 0.00 C ATOM 1253 CD GLU B 11 4.011 7.638 -6.672 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.427 7.318 -7.706 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.554 7.332 -5.564 1.00 0.00 O ATOM 0 H GLU B 11 6.905 8.441 -4.622 1.00 0.00 H new ATOM 0 HA GLU B 11 5.863 6.013 -5.514 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.376 8.176 -7.030 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.397 6.927 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.371 9.053 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.226 9.101 -7.612 1.00 0.00 H new ATOM 1262 N ASN B 12 9.103 6.369 -5.887 1.00 0.00 N ATOM 1263 CA ASN B 12 10.389 5.714 -6.084 1.00 0.00 C ATOM 1264 C ASN B 12 10.551 4.507 -5.145 1.00 0.00 C ATOM 1265 O ASN B 12 10.828 3.387 -5.592 1.00 0.00 O ATOM 1266 CB ASN B 12 11.512 6.723 -5.799 1.00 0.00 C ATOM 1267 CG ASN B 12 12.907 6.166 -5.982 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.471 5.559 -5.079 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.499 6.449 -7.097 1.00 0.00 N ATOM 0 H ASN B 12 9.186 7.369 -5.702 1.00 0.00 H new ATOM 0 HA ASN B 12 10.440 5.359 -7.113 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.387 7.584 -6.456 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.409 7.085 -4.776 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.467 6.165 -7.247 1.00 0.00 H new ATOM 0 HD22 ASN B 12 12.998 6.956 -7.826 1.00 0.00 H new ATOM 1276 N LYS B 13 10.335 4.741 -3.865 1.00 0.00 N ATOM 1277 CA LYS B 13 10.542 3.739 -2.838 1.00 0.00 C ATOM 1278 C LYS B 13 9.469 2.645 -2.920 1.00 0.00 C ATOM 1279 O LYS B 13 9.766 1.460 -2.746 1.00 0.00 O ATOM 1280 CB LYS B 13 10.553 4.418 -1.459 1.00 0.00 C ATOM 1281 CG LYS B 13 11.315 3.658 -0.382 1.00 0.00 C ATOM 1282 CD LYS B 13 12.776 3.457 -0.781 1.00 0.00 C ATOM 1283 CE LYS B 13 13.555 4.752 -0.943 1.00 0.00 C ATOM 1284 NZ LYS B 13 13.853 5.385 0.347 1.00 0.00 N ATOM 0 H LYS B 13 10.009 5.638 -3.506 1.00 0.00 H new ATOM 0 HA LYS B 13 11.506 3.254 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS B 13 10.990 5.411 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.523 4.555 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.264 4.205 0.559 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.844 2.690 -0.214 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.267 2.841 -0.027 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.813 2.903 -1.719 1.00 0.00 H new ATOM 0 HE2 LYS B 13 14.487 4.550 -1.470 1.00 0.00 H new ATOM 0 HE3 LYS B 13 12.983 5.443 -1.561 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 14.184 6.358 0.188 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 12.993 5.403 0.932 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.594 4.843 0.837 1.00 0.00 H new ATOM 1298 N LYS B 14 8.241 3.067 -3.192 1.00 0.00 N ATOM 1299 CA LYS B 14 7.103 2.199 -3.421 1.00 0.00 C ATOM 1300 C LYS B 14 7.449 1.229 -4.541 1.00 0.00 C ATOM 1301 O LYS B 14 7.321 0.026 -4.395 1.00 0.00 O ATOM 1302 CB LYS B 14 5.918 3.079 -3.856 1.00 0.00 C ATOM 1303 CG LYS B 14 4.597 2.370 -4.080 1.00 0.00 C ATOM 1304 CD LYS B 14 3.536 3.333 -4.627 1.00 0.00 C ATOM 1305 CE LYS B 14 3.831 3.735 -6.061 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.890 4.755 -6.576 1.00 0.00 N ATOM 0 H LYS B 14 8.006 4.057 -3.261 1.00 0.00 H new ATOM 0 HA LYS B 14 6.849 1.641 -2.520 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.768 3.849 -3.099 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.192 3.589 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.738 1.545 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.250 1.937 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.555 2.861 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.495 4.224 -4.000 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.848 4.121 -6.123 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.786 2.851 -6.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.188 5.054 -7.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.933 4.351 -6.624 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.887 5.578 -5.940 1.00 0.00 H new ATOM 1320 N LYS B 15 7.945 1.779 -5.634 1.00 0.00 N ATOM 1321 CA LYS B 15 8.323 1.012 -6.802 1.00 0.00 C ATOM 1322 C LYS B 15 9.485 0.062 -6.521 1.00 0.00 C ATOM 1323 O LYS B 15 9.492 -1.056 -7.025 1.00 0.00 O ATOM 1324 CB LYS B 15 8.591 1.936 -7.991 1.00 0.00 C ATOM 1325 CG LYS B 15 7.325 2.626 -8.502 1.00 0.00 C ATOM 1326 CD LYS B 15 7.580 3.664 -9.606 1.00 0.00 C ATOM 1327 CE LYS B 15 7.905 3.058 -10.992 1.00 0.00 C ATOM 1328 NZ LYS B 15 9.235 2.409 -11.072 1.00 0.00 N ATOM 0 H LYS B 15 8.098 2.782 -5.735 1.00 0.00 H new ATOM 0 HA LYS B 15 7.481 0.373 -7.068 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.320 2.693 -7.700 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.037 1.359 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.639 1.869 -8.881 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.828 3.116 -7.665 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.700 4.301 -9.699 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.407 4.305 -9.301 1.00 0.00 H new ATOM 0 HE2 LYS B 15 7.139 2.325 -11.245 1.00 0.00 H new ATOM 0 HE3 LYS B 15 7.852 3.846 -11.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 9.667 2.615 -11.995 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 9.846 2.775 -10.314 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 9.127 1.380 -10.962 1.00 0.00 H new ATOM 1342 N GLU B 16 10.443 0.485 -5.684 1.00 0.00 N ATOM 1343 CA GLU B 16 11.545 -0.406 -5.288 1.00 0.00 C ATOM 1344 C GLU B 16 10.998 -1.608 -4.526 1.00 0.00 C ATOM 1345 O GLU B 16 11.478 -2.746 -4.686 1.00 0.00 O ATOM 1346 CB GLU B 16 12.622 0.302 -4.435 1.00 0.00 C ATOM 1347 CG GLU B 16 13.429 1.379 -5.140 1.00 0.00 C ATOM 1348 CD GLU B 16 14.685 1.747 -4.360 1.00 0.00 C ATOM 1349 OE1 GLU B 16 14.589 2.311 -3.243 1.00 0.00 O ATOM 1350 OE2 GLU B 16 15.801 1.466 -4.845 1.00 0.00 O ATOM 0 H GLU B 16 10.479 1.419 -5.275 1.00 0.00 H new ATOM 0 HA GLU B 16 12.029 -0.730 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU B 16 12.135 0.750 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.312 -0.453 -4.058 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.708 1.032 -6.135 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.811 2.267 -5.274 1.00 0.00 H new ATOM 1357 N LEU B 17 9.971 -1.353 -3.746 1.00 0.00 N ATOM 1358 CA LEU B 17 9.329 -2.358 -2.939 1.00 0.00 C ATOM 1359 C LEU B 17 8.472 -3.287 -3.775 1.00 0.00 C ATOM 1360 O LEU B 17 8.494 -4.503 -3.561 1.00 0.00 O ATOM 1361 CB LEU B 17 8.542 -1.683 -1.781 1.00 0.00 C ATOM 1362 CG LEU B 17 7.520 -2.516 -0.977 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.211 -2.675 -1.699 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.091 -3.841 -0.510 1.00 0.00 C ATOM 0 H LEU B 17 9.555 -0.426 -3.656 1.00 0.00 H new ATOM 0 HA LEU B 17 10.094 -2.992 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.272 -1.289 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.011 -0.828 -2.200 1.00 0.00 H new ATOM 0 HG LEU B 17 7.302 -1.943 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.529 -3.268 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.774 -1.693 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.379 -3.179 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.332 -4.387 0.050 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.398 -4.430 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.954 -3.660 0.131 1.00 0.00 H new ATOM 1376 N ILE B 18 7.709 -2.732 -4.705 1.00 0.00 N ATOM 1377 CA ILE B 18 6.832 -3.544 -5.536 1.00 0.00 C ATOM 1378 C ILE B 18 7.661 -4.585 -6.269 1.00 0.00 C ATOM 1379 O ILE B 18 7.291 -5.747 -6.327 1.00 0.00 O ATOM 1380 CB ILE B 18 6.024 -2.703 -6.557 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.194 -1.648 -5.832 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.102 -3.622 -7.364 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.588 -0.604 -6.742 1.00 0.00 C ATOM 0 H ILE B 18 7.679 -1.732 -4.902 1.00 0.00 H new ATOM 0 HA ILE B 18 6.108 -4.024 -4.877 1.00 0.00 H new ATOM 0 HB ILE B 18 6.718 -2.202 -7.232 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.394 -2.145 -5.284 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.824 -1.150 -5.095 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.535 -3.029 -8.081 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.700 -4.361 -7.897 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.414 -4.131 -6.689 1.00 0.00 H new ATOM 0 HD11 ILE B 18 4.014 0.108 -6.148 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.382 -0.078 -7.271 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.930 -1.088 -7.464 1.00 0.00 H new ATOM 1395 N GLN B 19 8.816 -4.152 -6.764 1.00 0.00 N ATOM 1396 CA GLN B 19 9.771 -5.030 -7.416 1.00 0.00 C ATOM 1397 C GLN B 19 10.181 -6.168 -6.484 1.00 0.00 C ATOM 1398 O GLN B 19 10.274 -7.313 -6.903 1.00 0.00 O ATOM 1399 CB GLN B 19 11.010 -4.249 -7.802 1.00 0.00 C ATOM 1400 CG GLN B 19 10.801 -3.193 -8.860 1.00 0.00 C ATOM 1401 CD GLN B 19 12.050 -2.371 -9.085 1.00 0.00 C ATOM 1402 OE1 GLN B 19 13.174 -2.861 -8.886 1.00 0.00 O ATOM 1403 NE2 GLN B 19 11.885 -1.147 -9.488 1.00 0.00 N ATOM 0 H GLN B 19 9.114 -3.177 -6.722 1.00 0.00 H new ATOM 0 HA GLN B 19 9.297 -5.445 -8.306 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.411 -3.771 -6.909 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.766 -4.950 -8.155 1.00 0.00 H new ATOM 0 HG2 GLN B 19 10.505 -3.668 -9.795 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.983 -2.537 -8.563 1.00 0.00 H new ATOM 0 HE21 GLN B 19 10.945 -0.782 -9.640 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.696 -0.551 -9.653 1.00 0.00 H new ATOM 1412 N LEU B 20 10.389 -5.840 -5.215 1.00 0.00 N ATOM 1413 CA LEU B 20 10.801 -6.811 -4.215 1.00 0.00 C ATOM 1414 C LEU B 20 9.731 -7.863 -3.965 1.00 0.00 C ATOM 1415 O LEU B 20 10.022 -9.059 -4.037 1.00 0.00 O ATOM 1416 CB LEU B 20 11.219 -6.137 -2.908 1.00 0.00 C ATOM 1417 CG LEU B 20 12.498 -5.304 -2.950 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.701 -4.593 -1.631 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.697 -6.189 -3.242 1.00 0.00 C ATOM 0 H LEU B 20 10.276 -4.893 -4.852 1.00 0.00 H new ATOM 0 HA LEU B 20 11.674 -7.322 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.403 -5.493 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.340 -6.910 -2.149 1.00 0.00 H new ATOM 0 HG LEU B 20 12.401 -4.565 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.616 -4.002 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU B 20 11.853 -3.936 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.780 -5.328 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.601 -5.580 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.791 -6.944 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.561 -6.679 -4.206 1.00 0.00 H new ATOM 1431 N VAL B 21 8.494 -7.442 -3.671 1.00 0.00 N ATOM 1432 CA VAL B 21 7.432 -8.401 -3.476 1.00 0.00 C ATOM 1433 C VAL B 21 7.164 -9.204 -4.771 1.00 0.00 C ATOM 1434 O VAL B 21 6.832 -10.389 -4.724 1.00 0.00 O ATOM 1435 CB VAL B 21 6.121 -7.729 -2.989 1.00 0.00 C ATOM 1436 CG1 VAL B 21 6.364 -6.752 -1.875 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.312 -7.115 -4.102 1.00 0.00 C ATOM 0 H VAL B 21 8.221 -6.465 -3.568 1.00 0.00 H new ATOM 0 HA VAL B 21 7.767 -9.086 -2.697 1.00 0.00 H new ATOM 0 HB VAL B 21 5.512 -8.539 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.417 -6.307 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL B 21 6.813 -7.270 -1.028 1.00 0.00 H new ATOM 0 HG13 VAL B 21 7.038 -5.968 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.410 -6.663 -3.690 1.00 0.00 H new ATOM 0 HG22 VAL B 21 5.905 -6.349 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL B 21 5.036 -7.887 -4.820 1.00 0.00 H new ATOM 1447 N ALA B 22 7.362 -8.554 -5.914 1.00 0.00 N ATOM 1448 CA ALA B 22 7.115 -9.159 -7.201 1.00 0.00 C ATOM 1449 C ALA B 22 8.113 -10.251 -7.497 1.00 0.00 C ATOM 1450 O ALA B 22 7.737 -11.356 -7.892 1.00 0.00 O ATOM 1451 CB ALA B 22 7.120 -8.107 -8.291 1.00 0.00 C ATOM 0 H ALA B 22 7.699 -7.592 -5.965 1.00 0.00 H new ATOM 0 HA ALA B 22 6.127 -9.619 -7.173 1.00 0.00 H new ATOM 0 HB1 ALA B 22 6.932 -8.581 -9.255 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.341 -7.371 -8.090 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.090 -7.611 -8.313 1.00 0.00 H new ATOM 1457 N ARG B 23 9.379 -9.973 -7.239 1.00 0.00 N ATOM 1458 CA ARG B 23 10.444 -10.931 -7.506 1.00 0.00 C ATOM 1459 C ARG B 23 10.444 -12.070 -6.485 1.00 0.00 C ATOM 1460 O ARG B 23 11.204 -13.028 -6.606 1.00 0.00 O ATOM 1461 CB ARG B 23 11.816 -10.256 -7.560 1.00 0.00 C ATOM 1462 CG ARG B 23 12.280 -9.640 -6.249 1.00 0.00 C ATOM 1463 CD ARG B 23 13.685 -9.077 -6.374 1.00 0.00 C ATOM 1464 NE ARG B 23 14.652 -10.112 -6.771 1.00 0.00 N ATOM 1465 CZ ARG B 23 15.970 -10.073 -6.572 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.530 -9.021 -5.981 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.722 -11.085 -6.993 1.00 0.00 N ATOM 0 H ARG B 23 9.698 -9.089 -6.843 1.00 0.00 H new ATOM 0 HA ARG B 23 10.244 -11.358 -8.489 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.554 -10.992 -7.880 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.791 -9.477 -8.322 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.593 -8.847 -5.953 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.256 -10.393 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.691 -8.272 -7.109 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.989 -8.641 -5.422 1.00 0.00 H new ATOM 0 HE ARG B 23 14.280 -10.936 -7.242 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.951 -8.238 -5.677 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.539 -8.997 -5.832 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.290 -11.881 -7.463 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.731 -11.066 -6.846 1.00 0.00 H new ATOM 1481 N HIS B 24 9.604 -11.951 -5.472 1.00 0.00 N ATOM 1482 CA HIS B 24 9.444 -13.005 -4.493 1.00 0.00 C ATOM 1483 C HIS B 24 8.615 -14.140 -5.099 1.00 0.00 C ATOM 1484 O HIS B 24 8.669 -15.296 -4.639 1.00 0.00 O ATOM 1485 CB HIS B 24 8.792 -12.459 -3.209 1.00 0.00 C ATOM 1486 CG HIS B 24 8.643 -13.479 -2.098 1.00 0.00 C ATOM 1487 ND1 HIS B 24 9.654 -13.839 -1.222 1.00 0.00 N ATOM 1488 CD2 HIS B 24 7.572 -14.204 -1.731 1.00 0.00 C ATOM 1489 CE1 HIS B 24 9.165 -14.745 -0.377 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.904 -15.007 -0.640 1.00 0.00 N ATOM 0 H HIS B 24 9.021 -11.130 -5.308 1.00 0.00 H new ATOM 0 HA HIS B 24 10.424 -13.396 -4.219 1.00 0.00 H new ATOM 0 HB2 HIS B 24 9.388 -11.624 -2.841 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.807 -12.063 -3.457 1.00 0.00 H new ATOM 0 HD2 HIS B 24 6.603 -14.170 -2.208 1.00 0.00 H new ATOM 0 HE1 HIS B 24 9.731 -15.204 0.420 1.00 0.00 H new ATOM 0 HE2 HIS B 24 7.295 -15.661 -0.149 1.00 0.00 H new ATOM 1498 N GLY B 25 7.870 -13.814 -6.132 1.00 0.00 N ATOM 1499 CA GLY B 25 7.101 -14.813 -6.809 1.00 0.00 C ATOM 1500 C GLY B 25 5.721 -14.349 -7.188 1.00 0.00 C ATOM 1501 O GLY B 25 4.753 -15.112 -7.060 1.00 0.00 O ATOM 0 H GLY B 25 7.786 -12.871 -6.513 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.632 -15.122 -7.709 1.00 0.00 H new ATOM 0 HA3 GLY B 25 7.018 -15.692 -6.170 1.00 0.00 H new ATOM 1505 N LEU B 26 5.587 -13.103 -7.618 1.00 0.00 N ATOM 1506 CA LEU B 26 4.301 -12.641 -8.079 1.00 0.00 C ATOM 1507 C LEU B 26 4.215 -12.649 -9.559 1.00 0.00 C ATOM 1508 O LEU B 26 5.164 -12.284 -10.273 1.00 0.00 O ATOM 1509 CB LEU B 26 3.919 -11.254 -7.570 1.00 0.00 C ATOM 1510 CG LEU B 26 3.812 -11.111 -6.089 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.318 -9.743 -5.679 1.00 0.00 C ATOM 1512 CD2 LEU B 26 3.019 -12.230 -5.449 1.00 0.00 C ATOM 0 H LEU B 26 6.338 -12.413 -7.655 1.00 0.00 H new ATOM 0 HA LEU B 26 3.590 -13.352 -7.658 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.658 -10.539 -7.932 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.962 -10.976 -8.013 1.00 0.00 H new ATOM 0 HG LEU B 26 4.826 -11.202 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.257 -9.689 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU B 26 4.009 -8.983 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.331 -9.569 -6.107 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.974 -12.074 -4.371 1.00 0.00 H new ATOM 0 HD22 LEU B 26 2.008 -12.239 -5.857 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.503 -13.184 -5.657 1.00 0.00 H new ATOM 1524 N ASP B 27 3.091 -13.081 -10.006 1.00 0.00 N ATOM 1525 CA ASP B 27 2.721 -13.047 -11.400 1.00 0.00 C ATOM 1526 C ASP B 27 2.440 -11.605 -11.740 1.00 0.00 C ATOM 1527 O ASP B 27 2.192 -10.808 -10.822 1.00 0.00 O ATOM 1528 CB ASP B 27 1.440 -13.880 -11.611 1.00 0.00 C ATOM 1529 CG ASP B 27 0.924 -13.874 -13.033 1.00 0.00 C ATOM 1530 OD1 ASP B 27 1.383 -14.694 -13.852 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.034 -13.061 -13.349 1.00 0.00 O ATOM 0 H ASP B 27 2.372 -13.483 -9.404 1.00 0.00 H new ATOM 0 HA ASP B 27 3.512 -13.456 -12.029 1.00 0.00 H new ATOM 0 HB2 ASP B 27 1.636 -14.910 -11.312 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.660 -13.500 -10.952 1.00 0.00 H new ATOM 1536 N HIS B 28 2.455 -11.267 -13.018 1.00 0.00 N ATOM 1537 CA HIS B 28 2.167 -9.905 -13.481 1.00 0.00 C ATOM 1538 C HIS B 28 0.869 -9.391 -12.853 1.00 0.00 C ATOM 1539 O HIS B 28 0.793 -8.241 -12.444 1.00 0.00 O ATOM 1540 CB HIS B 28 2.051 -9.857 -15.013 1.00 0.00 C ATOM 1541 CG HIS B 28 3.282 -10.300 -15.750 1.00 0.00 C ATOM 1542 ND1 HIS B 28 3.310 -11.363 -16.621 1.00 0.00 N ATOM 1543 CD2 HIS B 28 4.540 -9.790 -15.748 1.00 0.00 C ATOM 1544 CE1 HIS B 28 4.544 -11.475 -17.108 1.00 0.00 C ATOM 1545 NE2 HIS B 28 5.340 -10.542 -16.616 1.00 0.00 N ATOM 0 H HIS B 28 2.666 -11.923 -13.770 1.00 0.00 H new ATOM 0 HA HIS B 28 2.995 -9.266 -13.173 1.00 0.00 H new ATOM 0 HB2 HIS B 28 1.215 -10.485 -15.320 1.00 0.00 H new ATOM 0 HB3 HIS B 28 1.811 -8.837 -15.314 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.871 -8.940 -15.169 1.00 0.00 H new ATOM 0 HE1 HIS B 28 4.854 -12.231 -17.814 1.00 0.00 H new ATOM 0 HE2 HIS B 28 6.328 -10.400 -16.825 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.103 -10.300 -12.701 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.412 -10.002 -12.101 1.00 0.00 C ATOM 1555 C ASP B 29 -1.263 -9.516 -10.679 1.00 0.00 C ATOM 1556 O ASP B 29 -1.801 -8.478 -10.296 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.283 -11.266 -12.125 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.522 -11.188 -11.247 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -4.544 -10.647 -11.685 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -3.492 -11.724 -10.111 1.00 0.00 O ATOM 0 H ASP B 29 -0.003 -11.272 -12.993 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.885 -9.211 -12.683 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.591 -11.461 -13.152 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -1.679 -12.116 -11.806 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.474 -10.237 -9.933 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.255 -9.963 -8.537 1.00 0.00 C ATOM 1567 C LYS B 30 0.454 -8.644 -8.351 1.00 0.00 C ATOM 1568 O LYS B 30 0.112 -7.878 -7.463 1.00 0.00 O ATOM 1569 CB LYS B 30 0.501 -11.127 -7.897 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.300 -12.421 -7.839 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.602 -12.253 -7.063 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.482 -13.482 -7.177 1.00 0.00 C ATOM 1573 NZ LYS B 30 -2.865 -13.762 -8.583 1.00 0.00 N ATOM 0 H LYS B 30 0.044 -11.044 -10.281 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.216 -9.871 -8.031 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.419 -11.304 -8.457 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.794 -10.846 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.523 -12.755 -8.852 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.303 -13.200 -7.372 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.379 -12.061 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.141 -11.383 -7.439 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.956 -14.344 -6.766 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -3.381 -13.341 -6.577 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.781 -14.255 -8.602 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.943 -12.867 -9.106 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -2.140 -14.361 -9.028 1.00 0.00 H new ATOM 1587 N VAL B 31 1.401 -8.368 -9.220 1.00 0.00 N ATOM 1588 CA VAL B 31 2.122 -7.114 -9.202 1.00 0.00 C ATOM 1589 C VAL B 31 1.154 -5.956 -9.503 1.00 0.00 C ATOM 1590 O VAL B 31 1.177 -4.924 -8.826 1.00 0.00 O ATOM 1591 CB VAL B 31 3.264 -7.119 -10.243 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.157 -5.900 -10.107 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.061 -8.401 -10.147 1.00 0.00 C ATOM 0 H VAL B 31 1.693 -9.007 -9.960 1.00 0.00 H new ATOM 0 HA VAL B 31 2.558 -6.982 -8.212 1.00 0.00 H new ATOM 0 HB VAL B 31 2.813 -7.070 -11.234 1.00 0.00 H new ATOM 0 HG11 VAL B 31 4.947 -5.942 -10.857 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.565 -4.997 -10.254 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.602 -5.884 -9.112 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.861 -8.388 -10.887 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.491 -8.488 -9.149 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.406 -9.252 -10.336 1.00 0.00 H new ATOM 1603 N LEU B 32 0.280 -6.155 -10.489 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.707 -5.145 -10.883 1.00 0.00 C ATOM 1605 C LEU B 32 -1.672 -4.851 -9.755 1.00 0.00 C ATOM 1606 O LEU B 32 -1.882 -3.694 -9.393 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.490 -5.591 -12.117 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.672 -5.849 -13.376 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.569 -6.276 -14.510 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.152 -4.632 -13.753 1.00 0.00 C ATOM 0 H LEU B 32 0.234 -7.015 -11.036 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.156 -4.236 -11.122 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -2.032 -6.503 -11.868 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.236 -4.829 -12.343 1.00 0.00 H new ATOM 0 HG LEU B 32 0.024 -6.662 -13.170 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.968 -6.456 -15.401 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.093 -7.191 -14.235 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.296 -5.490 -14.715 1.00 0.00 H new ATOM 0 HD21 LEU B 32 0.725 -4.846 -14.655 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.511 -3.786 -13.936 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.834 -4.388 -12.939 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.231 -5.896 -9.188 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.187 -5.763 -8.110 1.00 0.00 C ATOM 1624 C LEU B 33 -2.548 -5.147 -6.876 1.00 0.00 C ATOM 1625 O LEU B 33 -3.134 -4.269 -6.239 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.783 -7.105 -7.771 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.575 -7.801 -8.875 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -4.948 -9.205 -8.446 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.819 -7.001 -9.227 1.00 0.00 C ATOM 0 H LEU B 33 -2.037 -6.860 -9.459 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.980 -5.095 -8.447 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.975 -7.768 -7.462 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.439 -6.978 -6.910 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.948 -7.864 -9.765 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.513 -9.691 -9.242 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.042 -9.776 -8.243 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.558 -9.160 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.370 -7.513 -10.016 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.452 -6.906 -8.345 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.528 -6.009 -9.573 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.343 -5.585 -6.562 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.625 -5.070 -5.417 1.00 0.00 C ATOM 1643 C PHE B 34 -0.311 -3.588 -5.581 1.00 0.00 C ATOM 1644 O PHE B 34 -0.635 -2.789 -4.708 1.00 0.00 O ATOM 1645 CB PHE B 34 0.662 -5.871 -5.166 1.00 0.00 C ATOM 1646 CG PHE B 34 1.488 -5.346 -4.034 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.117 -5.580 -2.725 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.637 -4.613 -4.281 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.869 -5.084 -1.685 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.391 -4.120 -3.243 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.009 -4.358 -1.949 1.00 0.00 C ATOM 0 H PHE B 34 -0.841 -6.300 -7.089 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.272 -5.183 -4.547 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.399 -6.909 -4.961 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.264 -5.868 -6.075 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.229 -6.157 -2.515 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.944 -4.427 -5.300 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.566 -5.264 -0.664 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.283 -3.546 -3.447 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.604 -3.975 -1.133 1.00 0.00 H new ATOM 1661 N SER B 35 0.280 -3.225 -6.713 1.00 0.00 N ATOM 1662 CA SER B 35 0.694 -1.856 -6.958 1.00 0.00 C ATOM 1663 C SER B 35 -0.482 -0.886 -6.913 1.00 0.00 C ATOM 1664 O SER B 35 -0.387 0.176 -6.298 1.00 0.00 O ATOM 1665 CB SER B 35 1.450 -1.750 -8.286 1.00 0.00 C ATOM 1666 OG SER B 35 0.690 -2.299 -9.351 1.00 0.00 O ATOM 0 H SER B 35 0.483 -3.868 -7.479 1.00 0.00 H new ATOM 0 HA SER B 35 1.371 -1.569 -6.153 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.676 -0.705 -8.497 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.403 -2.273 -8.208 1.00 0.00 H new ATOM 0 HG SER B 35 0.850 -3.264 -9.403 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.604 -1.279 -7.503 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.763 -0.411 -7.560 1.00 0.00 C ATOM 1674 C ARG B 36 -3.376 -0.191 -6.175 1.00 0.00 C ATOM 1675 O ARG B 36 -3.772 0.940 -5.841 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.798 -0.912 -8.578 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.450 -2.235 -8.232 1.00 0.00 C ATOM 1678 CD ARG B 36 -5.280 -2.765 -9.381 1.00 0.00 C ATOM 1679 NE ARG B 36 -6.288 -1.798 -9.833 1.00 0.00 N ATOM 1680 CZ ARG B 36 -7.573 -2.072 -10.095 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -8.085 -3.267 -9.815 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -8.348 -1.126 -10.587 1.00 0.00 N ATOM 0 H ARG B 36 -1.731 -2.189 -7.945 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.421 0.563 -7.911 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.577 -0.157 -8.683 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -3.313 -1.006 -9.550 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.681 -2.963 -7.972 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -5.082 -2.111 -7.353 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.624 -3.018 -10.214 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.775 -3.686 -9.074 1.00 0.00 H new ATOM 0 HE ARG B 36 -5.983 -0.833 -9.959 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -7.498 -3.988 -9.396 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -9.065 -3.463 -10.020 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -7.968 -0.196 -10.765 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -9.328 -1.324 -10.790 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.412 -1.246 -5.351 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.978 -1.127 -4.009 1.00 0.00 C ATOM 1698 C ASP B 37 -3.026 -0.347 -3.123 1.00 0.00 C ATOM 1699 O ASP B 37 -3.440 0.556 -2.397 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.270 -2.494 -3.388 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.139 -2.386 -2.144 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -4.621 -2.252 -1.012 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -6.373 -2.433 -2.274 1.00 0.00 O ATOM 0 H ASP B 37 -3.062 -2.174 -5.587 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.927 -0.597 -4.092 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.768 -3.126 -4.123 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.330 -2.983 -3.131 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.742 -0.671 -3.240 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.661 -0.004 -2.509 1.00 0.00 C ATOM 1710 C LEU B 38 -0.650 1.486 -2.793 1.00 0.00 C ATOM 1711 O LEU B 38 -0.534 2.306 -1.882 1.00 0.00 O ATOM 1712 CB LEU B 38 0.692 -0.629 -2.902 1.00 0.00 C ATOM 1713 CG LEU B 38 1.970 0.116 -2.487 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.052 0.310 -0.996 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.184 -0.633 -2.978 1.00 0.00 C ATOM 0 H LEU B 38 -1.414 -1.416 -3.855 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.828 -0.142 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.735 -1.631 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.707 -0.742 -3.986 1.00 0.00 H new ATOM 0 HG LEU B 38 1.938 1.105 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.971 0.841 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.195 0.891 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU B 38 2.050 -0.662 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.086 -0.099 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.195 -1.633 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.150 -0.709 -4.065 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.783 1.826 -4.043 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.792 3.207 -4.464 1.00 0.00 C ATOM 1729 C ASP B 39 -1.965 3.959 -3.843 1.00 0.00 C ATOM 1730 O ASP B 39 -1.813 5.091 -3.371 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.821 3.286 -5.976 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.813 4.688 -6.495 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.192 5.407 -6.286 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.805 5.092 -7.130 1.00 0.00 O ATOM 0 H ASP B 39 -0.889 1.156 -4.804 1.00 0.00 H new ATOM 0 HA ASP B 39 0.121 3.688 -4.114 1.00 0.00 H new ATOM 0 HB2 ASP B 39 0.041 2.752 -6.377 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.711 2.775 -6.343 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.119 3.312 -3.786 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.289 3.911 -3.162 1.00 0.00 C ATOM 1741 C LYS B 40 -4.158 3.955 -1.646 1.00 0.00 C ATOM 1742 O LYS B 40 -4.660 4.873 -1.008 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.583 3.228 -3.588 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.988 3.552 -5.013 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.274 2.856 -5.412 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.767 3.325 -6.783 1.00 0.00 C ATOM 1747 NZ LYS B 40 -6.781 3.095 -7.868 1.00 0.00 N ATOM 0 H LYS B 40 -3.270 2.376 -4.162 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.340 4.940 -3.518 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.467 2.149 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.384 3.528 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.112 4.630 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.189 3.255 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.114 1.778 -5.432 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -8.041 3.051 -4.663 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -8.693 2.805 -7.026 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.002 4.388 -6.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -7.198 3.370 -8.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -5.930 3.665 -7.690 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -6.523 2.088 -7.895 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.443 2.985 -1.089 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.170 2.931 0.346 1.00 0.00 C ATOM 1763 C LEU B 41 -2.355 4.173 0.700 1.00 0.00 C ATOM 1764 O LEU B 41 -2.619 4.855 1.686 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.379 1.632 0.676 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.275 1.177 2.149 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -1.640 -0.161 2.245 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.498 2.118 2.991 1.00 0.00 C ATOM 0 H LEU B 41 -3.035 2.213 -1.617 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.093 2.914 0.926 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -2.831 0.818 0.110 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.365 1.758 0.297 1.00 0.00 H new ATOM 0 HG LEU B 41 -3.299 1.145 2.520 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -1.578 -0.460 3.291 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -2.238 -0.888 1.695 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -0.637 -0.119 1.819 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.460 1.744 4.014 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -0.485 2.205 2.599 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -1.977 3.097 2.980 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.397 4.476 -0.141 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.585 5.647 0.036 1.00 0.00 C ATOM 1782 C ILE B 42 -1.420 6.913 -0.145 1.00 0.00 C ATOM 1783 O ILE B 42 -1.357 7.799 0.686 1.00 0.00 O ATOM 1784 CB ILE B 42 0.676 5.628 -0.870 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.584 4.468 -0.437 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.425 6.960 -0.806 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.844 4.310 -1.250 1.00 0.00 C ATOM 0 H ILE B 42 -1.162 3.919 -0.962 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.212 5.646 1.060 1.00 0.00 H new ATOM 0 HB ILE B 42 0.369 5.482 -1.906 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.859 4.612 0.608 1.00 0.00 H new ATOM 0 HG13 ILE B 42 1.015 3.540 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.303 6.915 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.769 7.763 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.738 7.152 0.220 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.419 3.466 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.584 4.131 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.441 5.219 -1.176 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.255 6.961 -1.192 1.00 0.00 N ATOM 1800 CA ASN B 43 -3.163 8.122 -1.420 1.00 0.00 C ATOM 1801 C ASN B 43 -4.069 8.360 -0.222 1.00 0.00 C ATOM 1802 O ASN B 43 -4.358 9.507 0.128 1.00 0.00 O ATOM 1803 CB ASN B 43 -4.020 7.976 -2.695 1.00 0.00 C ATOM 1804 CG ASN B 43 -3.285 8.322 -3.989 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -3.271 9.473 -4.412 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -2.697 7.349 -4.632 1.00 0.00 N ATOM 0 H ASN B 43 -2.330 6.225 -1.894 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.510 8.984 -1.558 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.382 6.950 -2.760 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.896 8.618 -2.605 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.211 7.538 -5.509 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -2.724 6.401 -4.258 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.488 7.274 0.413 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.309 7.302 1.621 1.00 0.00 C ATOM 1815 C LYS B 44 -4.617 8.134 2.704 1.00 0.00 C ATOM 1816 O LYS B 44 -5.211 9.046 3.288 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.500 5.862 2.138 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.361 5.727 3.394 1.00 0.00 C ATOM 1819 CD LYS B 44 -6.223 4.337 4.044 1.00 0.00 C ATOM 1820 CE LYS B 44 -6.613 3.201 3.110 1.00 0.00 C ATOM 1821 NZ LYS B 44 -6.498 1.858 3.752 1.00 0.00 N ATOM 0 H LYS B 44 -4.264 6.330 0.099 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.276 7.747 1.387 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -5.949 5.265 1.344 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.519 5.434 2.343 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.074 6.494 4.114 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.405 5.905 3.138 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -5.192 4.195 4.369 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -6.847 4.296 4.937 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -7.639 3.350 2.772 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -5.978 3.231 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -6.977 1.149 3.161 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -5.494 1.605 3.851 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -6.943 1.883 4.692 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.354 7.846 2.918 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.588 8.492 3.958 1.00 0.00 C ATOM 1837 C PHE B 45 -1.944 9.798 3.539 1.00 0.00 C ATOM 1838 O PHE B 45 -1.620 10.619 4.383 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.585 7.543 4.563 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.241 6.522 5.430 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -2.509 6.812 6.747 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.612 5.291 4.929 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.126 5.895 7.557 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.230 4.367 5.732 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.493 4.670 7.047 1.00 0.00 C ATOM 0 H PHE B 45 -2.830 7.158 2.377 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.310 8.769 4.726 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.032 7.043 3.768 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -0.860 8.106 5.150 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -2.230 7.775 7.148 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.414 5.053 3.894 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -3.324 6.132 8.592 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.509 3.403 5.332 1.00 0.00 H new ATOM 0 HZ PHE B 45 -3.987 3.947 7.680 1.00 0.00 H new ATOM 1855 N MET B 46 -1.776 10.003 2.239 1.00 0.00 N ATOM 1856 CA MET B 46 -1.230 11.271 1.724 1.00 0.00 C ATOM 1857 C MET B 46 -2.175 12.401 2.057 1.00 0.00 C ATOM 1858 O MET B 46 -1.755 13.569 2.176 1.00 0.00 O ATOM 1859 CB MET B 46 -1.017 11.239 0.199 1.00 0.00 C ATOM 1860 CG MET B 46 0.058 10.284 -0.345 1.00 0.00 C ATOM 1861 SD MET B 46 1.782 10.781 -0.060 1.00 0.00 S ATOM 1862 CE MET B 46 2.045 10.393 1.660 1.00 0.00 C ATOM 0 H MET B 46 -2.005 9.318 1.519 1.00 0.00 H new ATOM 0 HA MET B 46 -0.260 11.421 2.199 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.967 10.979 -0.268 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.767 12.249 -0.128 1.00 0.00 H new ATOM 0 HG2 MET B 46 -0.095 9.303 0.104 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.094 10.171 -1.418 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.113 10.278 1.848 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.652 11.200 2.279 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.531 9.464 1.906 1.00 0.00 H new