USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 849 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 57 HIS :FLIP no HD1:sc= -0.901 F(o=-1.9!,f=-0.059) USER MOD Set 1.2: A 66 ASN :FLIP amide:sc= 0.842 F(o=-0.91,f=-0.059) USER MOD Set 2.1: A 14 GLN : amide:sc= 0.343 K(o=1.1,f=-4.5!) USER MOD Set 2.2: A 111 SER OG : rot 56:sc= 0.709 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.17 K(o=-2.2,f=-6.4!) USER MOD Single : A 16 HIS : no HD1:sc= -0.0345 X(o=-0.035,f=-0.42) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 19:sc= 0.122 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 107:sc= 0.539 USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= -1.05 (180deg=-1.79) USER MOD Single : A 56 TYR OH : rot 180:sc= 0.821 USER MOD Single : A 68 THR OG1 : rot -130:sc= -0.176 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -1.94 X(o=-1.9,f=-1.6) USER MOD Single : A 89 SER OG : rot 180:sc= -0.625 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.11) USER MOD Single : A 103 HIS : no HE2:sc= -3.72 X(o=-3.7,f=-4.1!) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.244 F(o=-1.2,f=-0.24) USER MOD Single : A 109 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.015) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 10.168 21.159 3.824 1.00 0.00 N ATOM 47 CA THR A 4 9.915 19.999 4.682 1.00 0.00 C ATOM 48 C THR A 4 8.827 19.109 4.085 1.00 0.00 C ATOM 49 O THR A 4 7.823 19.602 3.568 1.00 0.00 O ATOM 50 CB THR A 4 9.513 20.450 6.095 1.00 0.00 C ATOM 51 OG1 THR A 4 9.130 19.338 6.890 1.00 0.00 O ATOM 52 CG2 THR A 4 8.368 21.445 6.111 1.00 0.00 C ATOM 0 HA THR A 4 10.837 19.421 4.748 1.00 0.00 H new ATOM 0 HB THR A 4 10.399 20.939 6.500 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.880 19.647 7.786 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.138 21.719 7.141 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.653 22.337 5.553 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.489 20.995 5.650 1.00 0.00 H new ATOM 60 N VAL A 5 9.035 17.796 4.162 1.00 0.00 N ATOM 61 CA VAL A 5 8.073 16.833 3.633 1.00 0.00 C ATOM 62 C VAL A 5 7.942 15.619 4.551 1.00 0.00 C ATOM 63 O VAL A 5 8.939 14.984 4.911 1.00 0.00 O ATOM 64 CB VAL A 5 8.457 16.363 2.211 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.845 15.740 2.202 1.00 0.00 C ATOM 66 CG2 VAL A 5 7.423 15.382 1.669 1.00 0.00 C ATOM 0 H VAL A 5 9.862 17.375 4.586 1.00 0.00 H new ATOM 0 HA VAL A 5 7.113 17.346 3.582 1.00 0.00 H new ATOM 0 HB VAL A 5 8.474 17.237 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.092 15.417 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 5 10.576 16.476 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 5 9.862 14.880 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.713 15.064 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.368 14.512 2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.448 15.867 1.628 1.00 0.00 H new ATOM 76 N LYS A 6 6.701 15.300 4.916 1.00 0.00 N ATOM 77 CA LYS A 6 6.419 14.159 5.782 1.00 0.00 C ATOM 78 C LYS A 6 5.635 13.096 5.014 1.00 0.00 C ATOM 79 O LYS A 6 4.468 13.301 4.671 1.00 0.00 O ATOM 80 CB LYS A 6 5.634 14.607 7.019 1.00 0.00 C ATOM 81 CG LYS A 6 6.246 14.148 8.335 1.00 0.00 C ATOM 82 CD LYS A 6 6.895 15.304 9.081 1.00 0.00 C ATOM 83 CE LYS A 6 8.393 15.373 8.819 1.00 0.00 C ATOM 84 NZ LYS A 6 8.814 16.705 8.296 1.00 0.00 N ATOM 0 H LYS A 6 5.873 15.819 4.623 1.00 0.00 H new ATOM 0 HA LYS A 6 7.365 13.729 6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.566 15.695 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.616 14.224 6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.474 13.698 8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.990 13.375 8.142 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.429 16.241 8.777 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.717 15.192 10.151 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.932 15.161 9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.671 14.599 8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.841 16.705 8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.321 16.898 7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.574 17.442 8.989 1.00 0.00 H new ATOM 98 N ARG A 7 6.287 11.969 4.740 1.00 0.00 N ATOM 99 CA ARG A 7 5.664 10.873 4.005 1.00 0.00 C ATOM 100 C ARG A 7 5.393 9.679 4.916 1.00 0.00 C ATOM 101 O ARG A 7 6.033 9.517 5.956 1.00 0.00 O ATOM 102 CB ARG A 7 6.558 10.441 2.842 1.00 0.00 C ATOM 103 CG ARG A 7 6.243 11.140 1.533 1.00 0.00 C ATOM 104 CD ARG A 7 7.366 10.963 0.523 1.00 0.00 C ATOM 105 NE ARG A 7 7.572 9.558 0.167 1.00 0.00 N ATOM 106 CZ ARG A 7 6.838 8.895 -0.734 1.00 0.00 C ATOM 107 NH1 ARG A 7 5.821 9.496 -1.347 1.00 0.00 N ATOM 108 NH2 ARG A 7 7.113 7.626 -1.014 1.00 0.00 N ATOM 0 H ARG A 7 7.252 11.791 5.018 1.00 0.00 H new ATOM 0 HA ARG A 7 4.711 11.232 3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.598 10.634 3.105 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.459 9.365 2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.316 10.742 1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.081 12.202 1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.137 11.534 -0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.289 11.371 0.933 1.00 0.00 H new ATOM 0 HE ARG A 7 8.323 9.052 0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.597 10.467 -1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.265 8.985 -2.033 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.885 7.155 -0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.552 7.122 -1.701 1.00 0.00 H new ATOM 122 N THR A 8 4.440 8.841 4.509 1.00 0.00 N ATOM 123 CA THR A 8 4.072 7.653 5.273 1.00 0.00 C ATOM 124 C THR A 8 3.222 6.712 4.421 1.00 0.00 C ATOM 125 O THR A 8 2.188 7.113 3.884 1.00 0.00 O ATOM 126 CB THR A 8 3.315 8.046 6.548 1.00 0.00 C ATOM 127 OG1 THR A 8 2.815 6.899 7.216 1.00 0.00 O ATOM 128 CG2 THR A 8 2.145 8.976 6.296 1.00 0.00 C ATOM 0 H THR A 8 3.907 8.966 3.649 1.00 0.00 H new ATOM 0 HA THR A 8 4.986 7.133 5.559 1.00 0.00 H new ATOM 0 HB THR A 8 4.049 8.571 7.160 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.338 7.174 8.026 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.657 9.211 7.242 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.504 9.896 5.834 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.431 8.491 5.630 1.00 0.00 H new ATOM 136 N ILE A 9 3.661 5.459 4.304 1.00 0.00 N ATOM 137 CA ILE A 9 2.935 4.467 3.525 1.00 0.00 C ATOM 138 C ILE A 9 2.278 3.436 4.439 1.00 0.00 C ATOM 139 O ILE A 9 2.956 2.722 5.180 1.00 0.00 O ATOM 140 CB ILE A 9 3.848 3.755 2.501 1.00 0.00 C ATOM 141 CG1 ILE A 9 3.019 2.819 1.615 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.965 2.987 3.200 1.00 0.00 C ATOM 143 CD1 ILE A 9 3.689 2.472 0.304 1.00 0.00 C ATOM 0 H ILE A 9 4.515 5.111 4.740 1.00 0.00 H new ATOM 0 HA ILE A 9 2.162 5.000 2.972 1.00 0.00 H new ATOM 0 HB ILE A 9 4.312 4.514 1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.816 1.899 2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.056 3.287 1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.591 2.496 2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.571 3.679 3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.532 2.236 3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.044 1.807 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.868 3.384 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.639 1.975 0.501 1.00 0.00 H new ATOM 155 N ARG A 10 0.953 3.374 4.383 1.00 0.00 N ATOM 156 CA ARG A 10 0.196 2.439 5.203 1.00 0.00 C ATOM 157 C ARG A 10 -0.712 1.575 4.333 1.00 0.00 C ATOM 158 O ARG A 10 -1.435 2.089 3.476 1.00 0.00 O ATOM 159 CB ARG A 10 -0.632 3.199 6.244 1.00 0.00 C ATOM 160 CG ARG A 10 0.190 4.164 7.092 1.00 0.00 C ATOM 161 CD ARG A 10 -0.631 5.368 7.526 1.00 0.00 C ATOM 162 NE ARG A 10 -1.653 5.013 8.510 1.00 0.00 N ATOM 163 CZ ARG A 10 -2.320 5.903 9.250 1.00 0.00 C ATOM 164 NH1 ARG A 10 -2.073 7.206 9.122 1.00 0.00 N ATOM 165 NH2 ARG A 10 -3.233 5.489 10.121 1.00 0.00 N ATOM 0 H ARG A 10 0.381 3.962 3.777 1.00 0.00 H new ATOM 0 HA ARG A 10 0.899 1.786 5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.418 3.756 5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.124 2.481 6.900 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.568 3.644 7.972 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.057 4.500 6.524 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.031 6.124 7.949 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.108 5.814 6.653 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.870 4.025 8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.371 7.529 8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.586 7.880 9.690 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.424 4.492 10.224 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.743 6.168 10.687 1.00 0.00 H new ATOM 179 N ILE A 11 -0.668 0.262 4.549 1.00 0.00 N ATOM 180 CA ILE A 11 -1.486 -0.669 3.775 1.00 0.00 C ATOM 181 C ILE A 11 -2.294 -1.583 4.690 1.00 0.00 C ATOM 182 O ILE A 11 -1.748 -2.193 5.612 1.00 0.00 O ATOM 183 CB ILE A 11 -0.628 -1.529 2.819 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.509 -2.218 3.585 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.074 -0.674 1.686 1.00 0.00 C ATOM 186 CD1 ILE A 11 0.663 -3.686 3.251 1.00 0.00 C ATOM 0 H ILE A 11 -0.076 -0.180 5.252 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.169 -0.064 3.178 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.263 -2.302 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.446 -1.704 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.330 -2.114 4.655 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.528 -1.295 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.899 -0.236 1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.546 0.121 2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.485 -4.107 3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.259 -4.213 3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.874 -3.797 2.187 1.00 0.00 H new ATOM 198 N LYS A 12 -3.598 -1.676 4.430 1.00 0.00 N ATOM 199 CA LYS A 12 -4.484 -2.515 5.231 1.00 0.00 C ATOM 200 C LYS A 12 -4.865 -3.776 4.465 1.00 0.00 C ATOM 201 O LYS A 12 -5.569 -3.708 3.457 1.00 0.00 O ATOM 202 CB LYS A 12 -5.743 -1.733 5.626 1.00 0.00 C ATOM 203 CG LYS A 12 -5.675 -1.136 7.024 1.00 0.00 C ATOM 204 CD LYS A 12 -4.567 -0.098 7.141 1.00 0.00 C ATOM 205 CE LYS A 12 -4.963 1.223 6.501 1.00 0.00 C ATOM 206 NZ LYS A 12 -4.659 2.390 7.378 1.00 0.00 N ATOM 0 H LYS A 12 -4.063 -1.180 3.670 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.954 -2.809 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.904 -0.931 4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.606 -2.395 5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.632 -0.676 7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.507 -1.931 7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.330 0.064 8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.662 -0.476 6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.437 1.337 5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.029 1.209 6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.946 3.268 6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.180 2.297 8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.638 2.421 7.574 1.00 0.00 H new ATOM 220 N THR A 13 -4.387 -4.924 4.946 1.00 0.00 N ATOM 221 CA THR A 13 -4.670 -6.206 4.300 1.00 0.00 C ATOM 222 C THR A 13 -5.375 -7.160 5.266 1.00 0.00 C ATOM 223 O THR A 13 -4.792 -7.590 6.262 1.00 0.00 O ATOM 224 CB THR A 13 -3.371 -6.847 3.790 1.00 0.00 C ATOM 225 OG1 THR A 13 -2.419 -5.858 3.422 1.00 0.00 O ATOM 226 CG2 THR A 13 -3.579 -7.750 2.593 1.00 0.00 C ATOM 0 H THR A 13 -3.803 -4.992 5.779 1.00 0.00 H new ATOM 0 HA THR A 13 -5.331 -6.018 3.454 1.00 0.00 H new ATOM 0 HB THR A 13 -3.007 -7.447 4.624 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.601 -6.294 3.103 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.622 -8.170 2.284 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.260 -8.558 2.861 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.005 -7.173 1.772 1.00 0.00 H new ATOM 234 N GLN A 14 -6.632 -7.488 4.968 1.00 0.00 N ATOM 235 CA GLN A 14 -7.408 -8.394 5.817 1.00 0.00 C ATOM 236 C GLN A 14 -8.166 -9.419 4.980 1.00 0.00 C ATOM 237 O GLN A 14 -8.478 -9.173 3.815 1.00 0.00 O ATOM 238 CB GLN A 14 -8.386 -7.603 6.687 1.00 0.00 C ATOM 239 CG GLN A 14 -7.729 -6.482 7.479 1.00 0.00 C ATOM 240 CD GLN A 14 -8.211 -6.420 8.915 1.00 0.00 C ATOM 241 OE1 GLN A 14 -7.627 -7.038 9.802 1.00 0.00 O ATOM 242 NE2 GLN A 14 -9.282 -5.670 9.152 1.00 0.00 N ATOM 0 H GLN A 14 -7.133 -7.142 4.150 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.710 -8.928 6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.164 -7.180 6.051 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.877 -8.286 7.380 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.648 -6.621 7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.933 -5.529 6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.737 -5.173 8.386 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.650 -5.591 10.100 1.00 0.00 H new ATOM 251 N GLN A 15 -8.458 -10.572 5.586 1.00 0.00 N ATOM 252 CA GLN A 15 -9.182 -11.640 4.896 1.00 0.00 C ATOM 253 C GLN A 15 -10.060 -12.430 5.865 1.00 0.00 C ATOM 254 O GLN A 15 -9.639 -12.748 6.977 1.00 0.00 O ATOM 255 CB GLN A 15 -8.200 -12.590 4.200 1.00 0.00 C ATOM 256 CG GLN A 15 -8.866 -13.815 3.581 1.00 0.00 C ATOM 257 CD GLN A 15 -8.611 -13.935 2.092 1.00 0.00 C ATOM 258 OE1 GLN A 15 -7.684 -14.615 1.666 1.00 0.00 O ATOM 259 NE2 GLN A 15 -9.442 -13.280 1.288 1.00 0.00 N ATOM 0 H GLN A 15 -8.205 -10.789 6.550 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.824 -11.174 4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.670 -12.043 3.420 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.453 -12.920 4.922 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.501 -14.712 4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.940 -13.767 3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.201 -12.725 1.682 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.320 -13.333 0.277 1.00 0.00 H new ATOM 268 N HIS A 16 -11.276 -12.754 5.432 1.00 0.00 N ATOM 269 CA HIS A 16 -12.199 -13.520 6.266 1.00 0.00 C ATOM 270 C HIS A 16 -12.874 -14.628 5.459 1.00 0.00 C ATOM 271 O HIS A 16 -13.578 -14.357 4.488 1.00 0.00 O ATOM 272 CB HIS A 16 -13.256 -12.592 6.869 1.00 0.00 C ATOM 273 CG HIS A 16 -14.084 -13.237 7.937 1.00 0.00 C ATOM 274 ND1 HIS A 16 -15.119 -14.108 7.666 1.00 0.00 N ATOM 275 CD2 HIS A 16 -14.030 -13.129 9.286 1.00 0.00 C ATOM 276 CE1 HIS A 16 -15.665 -14.505 8.800 1.00 0.00 C ATOM 277 NE2 HIS A 16 -15.021 -13.928 9.797 1.00 0.00 N ATOM 0 H HIS A 16 -11.644 -12.500 4.515 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.628 -13.983 7.071 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.761 -11.714 7.285 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.914 -12.240 6.074 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.336 -12.526 9.853 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -16.497 -15.186 8.896 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.227 -14.056 10.788 1.00 0.00 H new ATOM 286 N ILE A 17 -12.663 -15.876 5.877 1.00 0.00 N ATOM 287 CA ILE A 17 -13.260 -17.024 5.197 1.00 0.00 C ATOM 288 C ILE A 17 -14.185 -17.790 6.140 1.00 0.00 C ATOM 289 O ILE A 17 -13.755 -18.253 7.197 1.00 0.00 O ATOM 290 CB ILE A 17 -12.186 -17.994 4.651 1.00 0.00 C ATOM 291 CG1 ILE A 17 -11.002 -17.222 4.058 1.00 0.00 C ATOM 292 CG2 ILE A 17 -12.795 -18.923 3.608 1.00 0.00 C ATOM 293 CD1 ILE A 17 -9.832 -18.104 3.680 1.00 0.00 C ATOM 0 H ILE A 17 -12.084 -16.117 6.682 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.832 -16.629 4.357 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.815 -18.596 5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.338 -16.680 3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.667 -16.477 4.780 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.028 -19.600 3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.600 -19.502 4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.193 -18.332 2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.032 -17.490 3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.469 -18.626 4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.151 -18.832 2.935 1.00 0.00 H new ATOM 476 N VAL A 29 -17.109 -19.105 0.181 1.00 0.00 N ATOM 477 CA VAL A 29 -16.929 -17.691 -0.150 1.00 0.00 C ATOM 478 C VAL A 29 -16.065 -16.988 0.897 1.00 0.00 C ATOM 479 O VAL A 29 -16.325 -17.080 2.099 1.00 0.00 O ATOM 480 CB VAL A 29 -18.275 -16.947 -0.285 1.00 0.00 C ATOM 481 CG1 VAL A 29 -18.051 -15.528 -0.792 1.00 0.00 C ATOM 482 CG2 VAL A 29 -19.224 -17.708 -1.203 1.00 0.00 C ATOM 0 HA VAL A 29 -16.425 -17.662 -1.116 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.736 -16.889 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -19.010 -15.018 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.416 -14.987 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.566 -15.563 -1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.166 -17.165 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.775 -17.804 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.411 -18.700 -0.792 1.00 0.00 H new ATOM 492 N ARG A 30 -15.035 -16.286 0.432 1.00 0.00 N ATOM 493 CA ARG A 30 -14.128 -15.568 1.324 1.00 0.00 C ATOM 494 C ARG A 30 -14.186 -14.061 1.074 1.00 0.00 C ATOM 495 O ARG A 30 -14.656 -13.611 0.028 1.00 0.00 O ATOM 496 CB ARG A 30 -12.688 -16.074 1.159 1.00 0.00 C ATOM 497 CG ARG A 30 -12.257 -16.266 -0.289 1.00 0.00 C ATOM 498 CD ARG A 30 -12.579 -17.668 -0.788 1.00 0.00 C ATOM 499 NE ARG A 30 -11.799 -18.696 -0.097 1.00 0.00 N ATOM 500 CZ ARG A 30 -10.549 -19.034 -0.427 1.00 0.00 C ATOM 501 NH1 ARG A 30 -9.922 -18.413 -1.421 1.00 0.00 N ATOM 502 NH2 ARG A 30 -9.923 -19.995 0.247 1.00 0.00 N ATOM 0 H ARG A 30 -14.807 -16.199 -0.558 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.452 -15.759 2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.009 -15.368 1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.585 -17.023 1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.758 -15.531 -0.919 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.186 -16.085 -0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.642 -17.866 -0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.383 -17.724 -1.859 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.236 -19.184 0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.395 -17.672 -1.938 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.968 -18.677 -1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.397 -20.472 1.014 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.969 -20.255 -0.003 1.00 0.00 H new ATOM 516 N GLN A 31 -13.702 -13.292 2.045 1.00 0.00 N ATOM 517 CA GLN A 31 -13.689 -11.836 1.949 1.00 0.00 C ATOM 518 C GLN A 31 -12.276 -11.292 2.139 1.00 0.00 C ATOM 519 O GLN A 31 -11.409 -11.974 2.690 1.00 0.00 O ATOM 520 CB GLN A 31 -14.628 -11.227 2.992 1.00 0.00 C ATOM 521 CG GLN A 31 -15.892 -10.633 2.401 1.00 0.00 C ATOM 522 CD GLN A 31 -16.859 -10.143 3.462 1.00 0.00 C ATOM 523 OE1 GLN A 31 -16.739 -9.023 3.957 1.00 0.00 O ATOM 524 NE2 GLN A 31 -17.825 -10.983 3.822 1.00 0.00 N ATOM 0 H GLN A 31 -13.311 -13.657 2.914 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.035 -11.558 0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.902 -11.996 3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.094 -10.451 3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.627 -9.803 1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.386 -11.382 1.783 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.889 -11.903 3.387 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.502 -10.707 4.534 1.00 0.00 H new ATOM 533 N TRP A 32 -12.052 -10.067 1.675 1.00 0.00 N ATOM 534 CA TRP A 32 -10.742 -9.426 1.782 1.00 0.00 C ATOM 535 C TRP A 32 -10.859 -7.905 1.680 1.00 0.00 C ATOM 536 O TRP A 32 -11.854 -7.380 1.178 1.00 0.00 O ATOM 537 CB TRP A 32 -9.803 -9.943 0.684 1.00 0.00 C ATOM 538 CG TRP A 32 -10.416 -9.907 -0.686 1.00 0.00 C ATOM 539 CD1 TRP A 32 -11.378 -10.745 -1.173 1.00 0.00 C ATOM 540 CD2 TRP A 32 -10.111 -8.989 -1.742 1.00 0.00 C ATOM 541 NE1 TRP A 32 -11.694 -10.400 -2.464 1.00 0.00 N ATOM 542 CE2 TRP A 32 -10.928 -9.328 -2.837 1.00 0.00 C ATOM 543 CE3 TRP A 32 -9.225 -7.913 -1.869 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -10.886 -8.629 -4.042 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -9.188 -7.221 -3.065 1.00 0.00 C ATOM 546 CH2 TRP A 32 -10.012 -7.582 -4.137 1.00 0.00 C ATOM 0 H TRP A 32 -12.763 -9.495 1.219 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.330 -9.677 2.760 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.892 -9.344 0.683 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.511 -10.967 0.917 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -11.825 -11.560 -0.623 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.387 -10.866 -3.050 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.583 -7.629 -1.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.521 -8.905 -4.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.511 -6.387 -3.174 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.956 -7.022 -5.059 1.00 0.00 H new ATOM 557 N SER A 33 -9.829 -7.207 2.153 1.00 0.00 N ATOM 558 CA SER A 33 -9.802 -5.749 2.112 1.00 0.00 C ATOM 559 C SER A 33 -8.376 -5.246 1.913 1.00 0.00 C ATOM 560 O SER A 33 -7.488 -5.544 2.714 1.00 0.00 O ATOM 561 CB SER A 33 -10.398 -5.166 3.398 1.00 0.00 C ATOM 562 OG SER A 33 -9.556 -5.412 4.515 1.00 0.00 O ATOM 0 H SER A 33 -9.000 -7.630 2.570 1.00 0.00 H new ATOM 0 HA SER A 33 -10.407 -5.418 1.268 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.544 -4.092 3.279 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.380 -5.603 3.577 1.00 0.00 H new ATOM 0 HG SER A 33 -8.650 -5.619 4.203 1.00 0.00 H new ATOM 568 N ILE A 34 -8.163 -4.482 0.844 1.00 0.00 N ATOM 569 CA ILE A 34 -6.844 -3.938 0.545 1.00 0.00 C ATOM 570 C ILE A 34 -6.907 -2.422 0.361 1.00 0.00 C ATOM 571 O ILE A 34 -7.667 -1.915 -0.465 1.00 0.00 O ATOM 572 CB ILE A 34 -6.222 -4.593 -0.711 1.00 0.00 C ATOM 573 CG1 ILE A 34 -4.779 -4.110 -0.907 1.00 0.00 C ATOM 574 CG2 ILE A 34 -7.063 -4.302 -1.950 1.00 0.00 C ATOM 575 CD1 ILE A 34 -3.810 -4.660 0.118 1.00 0.00 C ATOM 0 H ILE A 34 -8.887 -4.227 0.172 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.206 -4.167 1.398 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.207 -5.673 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.442 -4.396 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.760 -3.021 -0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.605 -4.773 -2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.068 -4.700 -1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.118 -3.225 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.810 -4.276 -0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.123 -4.353 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.799 -5.748 0.061 1.00 0.00 H new ATOM 587 N GLU A 35 -6.101 -1.708 1.141 1.00 0.00 N ATOM 588 CA GLU A 35 -6.054 -0.251 1.072 1.00 0.00 C ATOM 589 C GLU A 35 -4.620 0.232 0.881 1.00 0.00 C ATOM 590 O GLU A 35 -3.701 -0.263 1.538 1.00 0.00 O ATOM 591 CB GLU A 35 -6.652 0.359 2.341 1.00 0.00 C ATOM 592 CG GLU A 35 -6.620 1.878 2.367 1.00 0.00 C ATOM 593 CD GLU A 35 -5.589 2.422 3.337 1.00 0.00 C ATOM 594 OE1 GLU A 35 -4.381 2.221 3.096 1.00 0.00 O ATOM 595 OE2 GLU A 35 -5.990 3.047 4.339 1.00 0.00 O ATOM 0 H GLU A 35 -5.470 -2.116 1.830 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.644 0.072 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.685 0.025 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.109 -0.021 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.404 2.251 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.606 2.254 2.641 1.00 0.00 H new ATOM 602 N ILE A 36 -4.435 1.197 -0.024 1.00 0.00 N ATOM 603 CA ILE A 36 -3.108 1.746 -0.301 1.00 0.00 C ATOM 604 C ILE A 36 -3.089 3.263 -0.106 1.00 0.00 C ATOM 605 O ILE A 36 -3.603 4.006 -0.942 1.00 0.00 O ATOM 606 CB ILE A 36 -2.659 1.426 -1.749 1.00 0.00 C ATOM 607 CG1 ILE A 36 -2.936 -0.041 -2.096 1.00 0.00 C ATOM 608 CG2 ILE A 36 -1.183 1.753 -1.943 1.00 0.00 C ATOM 609 CD1 ILE A 36 -3.112 -0.285 -3.580 1.00 0.00 C ATOM 0 H ILE A 36 -5.186 1.612 -0.575 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.419 1.279 0.403 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.240 2.051 -2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.113 -0.655 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.835 -0.367 -1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.890 1.520 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.017 2.813 -1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.585 1.160 -1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.305 -1.344 -3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.953 0.303 -3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.205 0.010 -4.107 1.00 0.00 H new ATOM 621 N VAL A 37 -2.475 3.719 0.990 1.00 0.00 N ATOM 622 CA VAL A 37 -2.379 5.156 1.272 1.00 0.00 C ATOM 623 C VAL A 37 -0.924 5.617 1.356 1.00 0.00 C ATOM 624 O VAL A 37 -0.041 4.855 1.761 1.00 0.00 O ATOM 625 CB VAL A 37 -3.101 5.552 2.581 1.00 0.00 C ATOM 626 CG1 VAL A 37 -4.604 5.347 2.456 1.00 0.00 C ATOM 627 CG2 VAL A 37 -2.546 4.785 3.775 1.00 0.00 C ATOM 0 H VAL A 37 -2.040 3.120 1.692 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.873 5.652 0.437 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.916 6.612 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.089 5.633 3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.989 5.963 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.812 4.298 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.075 5.087 4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.681 3.715 3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.484 5.004 3.886 1.00 0.00 H new ATOM 637 N LEU A 38 -0.688 6.875 0.973 1.00 0.00 N ATOM 638 CA LEU A 38 0.654 7.461 1.001 1.00 0.00 C ATOM 639 C LEU A 38 0.611 8.961 0.701 1.00 0.00 C ATOM 640 O LEU A 38 -0.278 9.439 -0.005 1.00 0.00 O ATOM 641 CB LEU A 38 1.572 6.755 -0.004 1.00 0.00 C ATOM 642 CG LEU A 38 0.997 6.596 -1.416 1.00 0.00 C ATOM 643 CD1 LEU A 38 1.365 7.792 -2.283 1.00 0.00 C ATOM 644 CD2 LEU A 38 1.483 5.297 -2.047 1.00 0.00 C ATOM 0 H LEU A 38 -1.413 7.509 0.638 1.00 0.00 H new ATOM 0 HA LEU A 38 1.053 7.323 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.507 7.312 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.817 5.766 0.384 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.090 6.553 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.948 7.660 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.961 8.702 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.450 7.872 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.065 5.201 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.571 5.307 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.161 4.453 -1.437 1.00 0.00 H new ATOM 656 N LEU A 39 1.585 9.696 1.238 1.00 0.00 N ATOM 657 CA LEU A 39 1.672 11.139 1.027 1.00 0.00 C ATOM 658 C LEU A 39 2.833 11.474 0.097 1.00 0.00 C ATOM 659 O LEU A 39 3.725 10.651 -0.107 1.00 0.00 O ATOM 660 CB LEU A 39 1.851 11.858 2.366 1.00 0.00 C ATOM 661 CG LEU A 39 0.850 12.982 2.642 1.00 0.00 C ATOM 662 CD1 LEU A 39 -0.532 12.416 2.935 1.00 0.00 C ATOM 663 CD2 LEU A 39 1.336 13.841 3.800 1.00 0.00 C ATOM 0 H LEU A 39 2.327 9.313 1.824 1.00 0.00 H new ATOM 0 HA LEU A 39 0.745 11.477 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.777 11.123 3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.858 12.273 2.406 1.00 0.00 H new ATOM 0 HG LEU A 39 0.775 13.606 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.227 13.234 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.879 11.840 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.482 11.768 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.617 14.638 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.437 13.224 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.303 14.277 3.549 1.00 0.00 H new ATOM 675 N ASP A 40 2.820 12.682 -0.467 1.00 0.00 N ATOM 676 CA ASP A 40 3.881 13.118 -1.378 1.00 0.00 C ATOM 677 C ASP A 40 3.709 14.584 -1.773 1.00 0.00 C ATOM 678 O ASP A 40 4.665 15.360 -1.732 1.00 0.00 O ATOM 679 CB ASP A 40 3.927 12.234 -2.638 1.00 0.00 C ATOM 680 CG ASP A 40 2.571 12.044 -3.302 1.00 0.00 C ATOM 681 OD1 ASP A 40 1.692 11.401 -2.695 1.00 0.00 O ATOM 682 OD2 ASP A 40 2.396 12.526 -4.439 1.00 0.00 O ATOM 0 H ASP A 40 2.089 13.375 -0.310 1.00 0.00 H new ATOM 0 HA ASP A 40 4.826 13.015 -0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.615 12.678 -3.358 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.331 11.257 -2.371 1.00 0.00 H new ATOM 687 N ASP A 41 2.488 14.953 -2.162 1.00 0.00 N ATOM 688 CA ASP A 41 2.187 16.325 -2.574 1.00 0.00 C ATOM 689 C ASP A 41 1.834 17.225 -1.379 1.00 0.00 C ATOM 690 O ASP A 41 1.503 18.397 -1.562 1.00 0.00 O ATOM 691 CB ASP A 41 1.038 16.334 -3.591 1.00 0.00 C ATOM 692 CG ASP A 41 1.445 15.822 -4.967 1.00 0.00 C ATOM 693 OD1 ASP A 41 2.552 15.257 -5.101 1.00 0.00 O ATOM 694 OD2 ASP A 41 0.652 15.991 -5.916 1.00 0.00 O ATOM 0 H ASP A 41 1.690 14.319 -2.200 1.00 0.00 H new ATOM 0 HA ASP A 41 3.088 16.728 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.221 15.721 -3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.656 17.350 -3.688 1.00 0.00 H new ATOM 699 N GLU A 42 1.900 16.680 -0.161 1.00 0.00 N ATOM 700 CA GLU A 42 1.580 17.448 1.041 1.00 0.00 C ATOM 701 C GLU A 42 2.798 18.206 1.568 1.00 0.00 C ATOM 702 O GLU A 42 2.650 19.215 2.258 1.00 0.00 O ATOM 703 CB GLU A 42 1.035 16.521 2.129 1.00 0.00 C ATOM 704 CG GLU A 42 -0.461 16.660 2.354 1.00 0.00 C ATOM 705 CD GLU A 42 -1.274 16.265 1.135 1.00 0.00 C ATOM 706 OE1 GLU A 42 -1.233 15.077 0.754 1.00 0.00 O ATOM 707 OE2 GLU A 42 -1.951 17.147 0.564 1.00 0.00 O ATOM 0 H GLU A 42 2.171 15.713 0.016 1.00 0.00 H new ATOM 0 HA GLU A 42 0.819 18.181 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.259 15.489 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.555 16.727 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.757 16.039 3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.690 17.692 2.620 1.00 0.00 H new ATOM 714 N GLY A 43 3.999 17.714 1.254 1.00 0.00 N ATOM 715 CA GLY A 43 5.207 18.369 1.723 1.00 0.00 C ATOM 716 C GLY A 43 6.019 18.999 0.610 1.00 0.00 C ATOM 717 O GLY A 43 6.031 20.222 0.458 1.00 0.00 O ATOM 0 H GLY A 43 4.153 16.880 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.937 19.138 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.826 17.641 2.248 1.00 0.00 H new ATOM 721 N LYS A 44 6.707 18.163 -0.161 1.00 0.00 N ATOM 722 CA LYS A 44 7.542 18.637 -1.264 1.00 0.00 C ATOM 723 C LYS A 44 6.739 18.766 -2.556 1.00 0.00 C ATOM 724 O LYS A 44 6.699 19.840 -3.158 1.00 0.00 O ATOM 725 CB LYS A 44 8.732 17.692 -1.478 1.00 0.00 C ATOM 726 CG LYS A 44 9.965 18.066 -0.668 1.00 0.00 C ATOM 727 CD LYS A 44 10.606 19.346 -1.180 1.00 0.00 C ATOM 728 CE LYS A 44 11.338 20.089 -0.072 1.00 0.00 C ATOM 729 NZ LYS A 44 12.704 19.539 0.167 1.00 0.00 N ATOM 0 H LYS A 44 6.704 17.150 -0.043 1.00 0.00 H new ATOM 0 HA LYS A 44 7.914 19.626 -0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.430 16.678 -1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.992 17.684 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.689 18.191 0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.690 17.253 -0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.305 19.108 -1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.839 19.992 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.414 21.145 -0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.758 20.029 0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.166 20.075 0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.632 18.538 0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.268 19.620 -0.703 1.00 0.00 H new ATOM 743 N GLU A 45 6.110 17.666 -2.981 1.00 0.00 N ATOM 744 CA GLU A 45 5.316 17.652 -4.213 1.00 0.00 C ATOM 745 C GLU A 45 6.200 17.890 -5.448 1.00 0.00 C ATOM 746 O GLU A 45 5.699 18.221 -6.525 1.00 0.00 O ATOM 747 CB GLU A 45 4.212 18.716 -4.141 1.00 0.00 C ATOM 748 CG GLU A 45 3.078 18.499 -5.136 1.00 0.00 C ATOM 749 CD GLU A 45 3.075 19.495 -6.285 1.00 0.00 C ATOM 750 OE1 GLU A 45 3.377 20.685 -6.049 1.00 0.00 O ATOM 751 OE2 GLU A 45 2.764 19.082 -7.423 1.00 0.00 O ATOM 0 H GLU A 45 6.136 16.773 -2.489 1.00 0.00 H new ATOM 0 HA GLU A 45 4.859 16.667 -4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.799 18.729 -3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.654 19.697 -4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.150 17.490 -5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.126 18.563 -4.609 1.00 0.00 H new ATOM 758 N ILE A 46 7.516 17.725 -5.289 1.00 0.00 N ATOM 759 CA ILE A 46 8.456 17.931 -6.387 1.00 0.00 C ATOM 760 C ILE A 46 9.058 16.603 -6.851 1.00 0.00 C ATOM 761 O ILE A 46 9.353 15.734 -6.031 1.00 0.00 O ATOM 762 CB ILE A 46 9.600 18.884 -5.965 1.00 0.00 C ATOM 763 CG1 ILE A 46 9.037 20.180 -5.371 1.00 0.00 C ATOM 764 CG2 ILE A 46 10.508 19.192 -7.148 1.00 0.00 C ATOM 765 CD1 ILE A 46 9.831 20.705 -4.193 1.00 0.00 C ATOM 0 H ILE A 46 7.952 17.449 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 46 7.899 18.379 -7.210 1.00 0.00 H new ATOM 0 HB ILE A 46 10.191 18.384 -5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.009 20.944 -6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.008 20.008 -5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 46 11.305 19.863 -6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.942 18.266 -7.524 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.927 19.668 -7.938 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.373 21.624 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.838 19.960 -3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.855 20.910 -4.507 1.00 0.00 H new ATOM 777 N PRO A 47 9.243 16.432 -8.181 1.00 0.00 N ATOM 778 CA PRO A 47 9.815 15.203 -8.759 1.00 0.00 C ATOM 779 C PRO A 47 11.197 14.868 -8.184 1.00 0.00 C ATOM 780 O PRO A 47 11.762 15.643 -7.409 1.00 0.00 O ATOM 781 CB PRO A 47 9.928 15.526 -10.254 1.00 0.00 C ATOM 782 CG PRO A 47 8.939 16.613 -10.491 1.00 0.00 C ATOM 783 CD PRO A 47 8.904 17.420 -9.225 1.00 0.00 C ATOM 0 HA PRO A 47 9.197 14.332 -8.540 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.937 15.847 -10.513 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.706 14.651 -10.864 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.233 17.230 -11.340 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.955 16.203 -10.720 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.622 18.240 -9.251 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.922 17.862 -9.057 1.00 0.00 H new ATOM 791 N ALA A 48 11.732 13.708 -8.571 1.00 0.00 N ATOM 792 CA ALA A 48 13.043 13.263 -8.097 1.00 0.00 C ATOM 793 C ALA A 48 13.691 12.285 -9.083 1.00 0.00 C ATOM 794 O ALA A 48 13.261 12.174 -10.231 1.00 0.00 O ATOM 795 CB ALA A 48 12.905 12.619 -6.721 1.00 0.00 C ATOM 0 H ALA A 48 11.276 13.059 -9.213 1.00 0.00 H new ATOM 0 HA ALA A 48 13.693 14.135 -8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.884 12.290 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.496 13.345 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.236 11.761 -6.786 1.00 0.00 H new ATOM 801 N THR A 49 14.724 11.571 -8.621 1.00 0.00 N ATOM 802 CA THR A 49 15.424 10.597 -9.456 1.00 0.00 C ATOM 803 C THR A 49 14.507 9.422 -9.787 1.00 0.00 C ATOM 804 O THR A 49 14.403 9.010 -10.942 1.00 0.00 O ATOM 805 CB THR A 49 16.688 10.089 -8.753 1.00 0.00 C ATOM 806 OG1 THR A 49 16.469 9.966 -7.359 1.00 0.00 O ATOM 807 CG2 THR A 49 17.889 10.989 -8.949 1.00 0.00 C ATOM 0 H THR A 49 15.091 11.652 -7.673 1.00 0.00 H new ATOM 0 HA THR A 49 15.715 11.092 -10.383 1.00 0.00 H new ATOM 0 HB THR A 49 16.902 9.122 -9.209 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.401 9.018 -7.121 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.748 10.569 -8.425 1.00 0.00 H new ATOM 0 HG22 THR A 49 18.116 11.067 -10.012 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.670 11.980 -8.551 1.00 0.00 H new ATOM 815 N ILE A 50 13.842 8.888 -8.760 1.00 0.00 N ATOM 816 CA ILE A 50 12.930 7.767 -8.942 1.00 0.00 C ATOM 817 C ILE A 50 11.492 8.181 -8.608 1.00 0.00 C ATOM 818 O ILE A 50 10.744 8.580 -9.499 1.00 0.00 O ATOM 819 CB ILE A 50 13.348 6.545 -8.091 1.00 0.00 C ATOM 820 CG1 ILE A 50 14.771 6.107 -8.448 1.00 0.00 C ATOM 821 CG2 ILE A 50 12.375 5.395 -8.300 1.00 0.00 C ATOM 822 CD1 ILE A 50 15.394 5.185 -7.422 1.00 0.00 C ATOM 0 H ILE A 50 13.921 9.216 -7.797 1.00 0.00 H new ATOM 0 HA ILE A 50 12.979 7.474 -9.991 1.00 0.00 H new ATOM 0 HB ILE A 50 13.326 6.833 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.756 5.604 -9.415 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.398 6.992 -8.558 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.683 4.543 -7.694 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.374 5.707 -8.004 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.370 5.109 -9.352 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.401 4.915 -7.739 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.441 5.692 -6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.789 4.283 -7.328 1.00 0.00 H new ATOM 834 N PHE A 51 11.119 8.093 -7.323 1.00 0.00 N ATOM 835 CA PHE A 51 9.776 8.469 -6.870 1.00 0.00 C ATOM 836 C PHE A 51 8.691 7.745 -7.676 1.00 0.00 C ATOM 837 O PHE A 51 8.263 8.214 -8.732 1.00 0.00 O ATOM 838 CB PHE A 51 9.614 9.995 -6.950 1.00 0.00 C ATOM 839 CG PHE A 51 8.199 10.488 -6.798 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.485 10.260 -5.628 1.00 0.00 C ATOM 841 CD2 PHE A 51 7.584 11.189 -7.824 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.187 10.722 -5.489 1.00 0.00 C ATOM 843 CE2 PHE A 51 6.290 11.652 -7.688 1.00 0.00 C ATOM 844 CZ PHE A 51 5.591 11.419 -6.522 1.00 0.00 C ATOM 0 H PHE A 51 11.733 7.763 -6.578 1.00 0.00 H new ATOM 0 HA PHE A 51 9.656 8.159 -5.832 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.229 10.453 -6.175 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.002 10.338 -7.909 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.948 9.716 -4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.124 11.375 -8.741 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.642 10.538 -4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.825 12.197 -8.496 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.579 11.781 -6.417 1.00 0.00 H new ATOM 854 N ASP A 52 8.251 6.596 -7.160 1.00 0.00 N ATOM 855 CA ASP A 52 7.216 5.796 -7.814 1.00 0.00 C ATOM 856 C ASP A 52 6.780 4.643 -6.918 1.00 0.00 C ATOM 857 O ASP A 52 7.570 3.751 -6.603 1.00 0.00 O ATOM 858 CB ASP A 52 7.711 5.248 -9.156 1.00 0.00 C ATOM 859 CG ASP A 52 6.569 4.995 -10.122 1.00 0.00 C ATOM 860 OD1 ASP A 52 6.169 5.944 -10.830 1.00 0.00 O ATOM 861 OD2 ASP A 52 6.066 3.852 -10.162 1.00 0.00 O ATOM 0 H ASP A 52 8.598 6.198 -6.287 1.00 0.00 H new ATOM 0 HA ASP A 52 6.361 6.447 -7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.412 5.955 -9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.257 4.320 -8.989 1.00 0.00 H new ATOM 866 N LYS A 53 5.518 4.668 -6.512 1.00 0.00 N ATOM 867 CA LYS A 53 4.971 3.630 -5.649 1.00 0.00 C ATOM 868 C LYS A 53 4.174 2.618 -6.466 1.00 0.00 C ATOM 869 O LYS A 53 3.263 2.989 -7.206 1.00 0.00 O ATOM 870 CB LYS A 53 4.089 4.255 -4.565 1.00 0.00 C ATOM 871 CG LYS A 53 4.728 5.444 -3.857 1.00 0.00 C ATOM 872 CD LYS A 53 4.277 6.769 -4.456 1.00 0.00 C ATOM 873 CE LYS A 53 5.413 7.469 -5.189 1.00 0.00 C ATOM 874 NZ LYS A 53 4.966 8.054 -6.486 1.00 0.00 N ATOM 0 H LYS A 53 4.852 5.398 -6.767 1.00 0.00 H new ATOM 0 HA LYS A 53 5.798 3.107 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.149 4.575 -5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.845 3.493 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.471 5.418 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.813 5.366 -3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.451 6.595 -5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.900 7.417 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.820 8.258 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.219 6.758 -5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.790 8.198 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.296 7.405 -6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.500 8.967 -6.313 1.00 0.00 H new ATOM 888 N VAL A 54 4.527 1.342 -6.331 1.00 0.00 N ATOM 889 CA VAL A 54 3.847 0.279 -7.066 1.00 0.00 C ATOM 890 C VAL A 54 3.264 -0.774 -6.121 1.00 0.00 C ATOM 891 O VAL A 54 3.941 -1.250 -5.206 1.00 0.00 O ATOM 892 CB VAL A 54 4.791 -0.403 -8.084 1.00 0.00 C ATOM 893 CG1 VAL A 54 5.258 0.594 -9.136 1.00 0.00 C ATOM 894 CG2 VAL A 54 5.982 -1.041 -7.384 1.00 0.00 C ATOM 0 H VAL A 54 5.278 1.020 -5.721 1.00 0.00 H new ATOM 0 HA VAL A 54 3.029 0.751 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 54 4.231 -1.194 -8.583 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.921 0.094 -9.842 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.394 0.992 -9.669 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.793 1.410 -8.651 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.629 -1.513 -8.124 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.542 -0.275 -6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.629 -1.793 -6.678 1.00 0.00 H new ATOM 904 N ILE A 55 2.000 -1.128 -6.355 1.00 0.00 N ATOM 905 CA ILE A 55 1.305 -2.120 -5.536 1.00 0.00 C ATOM 906 C ILE A 55 0.784 -3.269 -6.396 1.00 0.00 C ATOM 907 O ILE A 55 0.292 -3.051 -7.506 1.00 0.00 O ATOM 908 CB ILE A 55 0.111 -1.505 -4.762 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.322 -0.007 -4.510 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.106 -2.243 -3.449 1.00 0.00 C ATOM 911 CD1 ILE A 55 1.580 0.312 -3.728 1.00 0.00 C ATOM 0 H ILE A 55 1.434 -0.740 -7.110 1.00 0.00 H new ATOM 0 HA ILE A 55 2.037 -2.491 -4.818 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.782 -1.616 -5.378 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.360 0.511 -5.468 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.539 0.386 -3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.948 -1.799 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.318 -3.293 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.792 -2.166 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.659 1.390 -3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.537 -0.176 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.450 -0.049 -4.276 1.00 0.00 H new ATOM 923 N TYR A 56 0.893 -4.489 -5.877 1.00 0.00 N ATOM 924 CA TYR A 56 0.432 -5.678 -6.591 1.00 0.00 C ATOM 925 C TYR A 56 -0.161 -6.696 -5.620 1.00 0.00 C ATOM 926 O TYR A 56 0.566 -7.461 -4.987 1.00 0.00 O ATOM 927 CB TYR A 56 1.587 -6.309 -7.376 1.00 0.00 C ATOM 928 CG TYR A 56 2.203 -5.379 -8.400 1.00 0.00 C ATOM 929 CD1 TYR A 56 1.661 -5.261 -9.673 1.00 0.00 C ATOM 930 CD2 TYR A 56 3.325 -4.619 -8.091 1.00 0.00 C ATOM 931 CE1 TYR A 56 2.217 -4.413 -10.609 1.00 0.00 C ATOM 932 CE2 TYR A 56 3.886 -3.767 -9.024 1.00 0.00 C ATOM 933 CZ TYR A 56 3.329 -3.669 -10.281 1.00 0.00 C ATOM 934 OH TYR A 56 3.886 -2.823 -11.213 1.00 0.00 O ATOM 0 H TYR A 56 1.298 -4.681 -4.961 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.346 -5.375 -7.291 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.359 -6.628 -6.676 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.225 -7.204 -7.882 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.790 -5.843 -9.935 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.765 -4.695 -7.108 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.782 -4.333 -11.594 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.757 -3.181 -8.769 1.00 0.00 H new ATOM 0 HH TYR A 56 4.663 -2.371 -10.822 1.00 0.00 H new ATOM 944 N HIS A 57 -1.489 -6.698 -5.502 1.00 0.00 N ATOM 945 CA HIS A 57 -2.181 -7.619 -4.602 1.00 0.00 C ATOM 946 C HIS A 57 -2.982 -8.651 -5.389 1.00 0.00 C ATOM 947 O HIS A 57 -3.801 -8.294 -6.234 1.00 0.00 O ATOM 948 CB HIS A 57 -3.102 -6.850 -3.645 1.00 0.00 C ATOM 949 CG HIS A 57 -4.079 -5.940 -4.331 1.00 0.00 C ATOM 950 ND1 HIS A 57 -5.328 -6.171 -4.801 1.00 0.00 N flip ATOM 951 CD2 HIS A 57 -3.812 -4.612 -4.593 1.00 0.00 C flip ATOM 952 CE1 HIS A 57 -5.788 -4.991 -5.331 1.00 0.00 C flip ATOM 953 NE2 HIS A 57 -4.856 -4.066 -5.192 1.00 0.00 N flip ATOM 0 H HIS A 57 -2.107 -6.072 -6.019 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.428 -8.144 -4.015 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.655 -7.566 -3.037 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.489 -6.260 -2.964 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.894 -4.099 -4.347 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.755 -4.843 -5.788 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.929 -3.095 -5.495 1.00 0.00 H new ATOM 962 N LEU A 58 -2.738 -9.932 -5.102 1.00 0.00 N ATOM 963 CA LEU A 58 -3.430 -11.032 -5.775 1.00 0.00 C ATOM 964 C LEU A 58 -3.008 -11.142 -7.240 1.00 0.00 C ATOM 965 O LEU A 58 -2.472 -10.195 -7.819 1.00 0.00 O ATOM 966 CB LEU A 58 -4.953 -10.864 -5.679 1.00 0.00 C ATOM 967 CG LEU A 58 -5.512 -10.772 -4.253 1.00 0.00 C ATOM 968 CD1 LEU A 58 -6.360 -9.517 -4.087 1.00 0.00 C ATOM 969 CD2 LEU A 58 -6.322 -12.016 -3.912 1.00 0.00 C ATOM 0 H LEU A 58 -2.060 -10.234 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.146 -11.953 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.238 -9.963 -6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.428 -11.705 -6.185 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.672 -10.710 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.747 -9.471 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.749 -8.636 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.192 -9.545 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.709 -11.931 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.153 -12.112 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.684 -12.897 -3.984 1.00 0.00 H new ATOM 1071 N PRO A 65 -2.778 -3.292 -12.758 1.00 0.00 N ATOM 1072 CA PRO A 65 -1.779 -3.106 -11.697 1.00 0.00 C ATOM 1073 C PRO A 65 -1.967 -1.785 -10.953 1.00 0.00 C ATOM 1074 O PRO A 65 -2.491 -0.817 -11.508 1.00 0.00 O ATOM 1075 CB PRO A 65 -0.449 -3.113 -12.454 1.00 0.00 C ATOM 1076 CG PRO A 65 -0.800 -2.685 -13.838 1.00 0.00 C ATOM 1077 CD PRO A 65 -2.179 -3.220 -14.101 1.00 0.00 C ATOM 0 HA PRO A 65 -1.848 -3.877 -10.930 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.269 -2.431 -11.999 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.005 -4.104 -12.449 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.780 -1.599 -13.927 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.085 -3.078 -14.561 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.746 -2.562 -14.759 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.146 -4.199 -14.579 1.00 0.00 H new ATOM 1085 N ASN A 66 -1.538 -1.753 -9.692 1.00 0.00 N ATOM 1086 CA ASN A 66 -1.661 -0.551 -8.870 1.00 0.00 C ATOM 1087 C ASN A 66 -0.361 0.250 -8.879 1.00 0.00 C ATOM 1088 O ASN A 66 0.720 -0.301 -8.660 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.045 -0.921 -7.433 1.00 0.00 C ATOM 1090 CG ASN A 66 -3.536 -1.157 -7.276 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -4.006 -2.316 -7.724 1.00 0.00 O flip ATOM 1092 ND2 ASN A 66 -4.257 -0.308 -6.754 1.00 0.00 N flip ATOM 0 H ASN A 66 -1.103 -2.545 -9.218 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.450 0.070 -9.295 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.504 -1.819 -7.135 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.733 -0.123 -6.759 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.855 0.569 -6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.257 -0.481 -6.652 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.479 1.552 -9.135 1.00 0.00 N ATOM 1100 CA ARG A 67 0.678 2.442 -9.176 1.00 0.00 C ATOM 1101 C ARG A 67 0.310 3.826 -8.649 1.00 0.00 C ATOM 1102 O ARG A 67 -0.475 4.547 -9.267 1.00 0.00 O ATOM 1103 CB ARG A 67 1.218 2.552 -10.606 1.00 0.00 C ATOM 1104 CG ARG A 67 2.567 1.879 -10.800 1.00 0.00 C ATOM 1105 CD ARG A 67 2.416 0.499 -11.421 1.00 0.00 C ATOM 1106 NE ARG A 67 1.916 0.563 -12.796 1.00 0.00 N ATOM 1107 CZ ARG A 67 2.016 -0.436 -13.676 1.00 0.00 C ATOM 1108 NH1 ARG A 67 2.597 -1.583 -13.331 1.00 0.00 N ATOM 1109 NH2 ARG A 67 1.533 -0.289 -14.905 1.00 0.00 N ATOM 0 H ARG A 67 -1.369 2.015 -9.318 1.00 0.00 H new ATOM 0 HA ARG A 67 1.455 2.021 -8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.498 2.108 -11.293 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.305 3.605 -10.873 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.196 2.500 -11.438 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.074 1.793 -9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.380 -0.010 -11.410 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.734 -0.097 -10.815 1.00 0.00 H new ATOM 0 HE ARG A 67 1.463 1.425 -13.100 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.969 -1.703 -12.389 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.670 -2.342 -14.009 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.086 0.587 -15.176 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.609 -1.052 -15.578 1.00 0.00 H new ATOM 1123 N THR A 68 0.876 4.189 -7.500 1.00 0.00 N ATOM 1124 CA THR A 68 0.607 5.485 -6.887 1.00 0.00 C ATOM 1125 C THR A 68 1.656 6.513 -7.301 1.00 0.00 C ATOM 1126 O THR A 68 2.861 6.251 -7.236 1.00 0.00 O ATOM 1127 CB THR A 68 0.563 5.369 -5.358 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.310 4.031 -4.954 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.494 6.244 -4.722 1.00 0.00 C ATOM 0 H THR A 68 1.524 3.602 -6.975 1.00 0.00 H new ATOM 0 HA THR A 68 -0.368 5.821 -7.240 1.00 0.00 H new ATOM 0 HB THR A 68 1.544 5.702 -5.020 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.420 4.019 -4.301 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.471 6.114 -3.640 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.297 7.288 -4.966 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.476 5.962 -5.101 1.00 0.00 H new ATOM 1137 N PHE A 69 1.186 7.685 -7.724 1.00 0.00 N ATOM 1138 CA PHE A 69 2.070 8.768 -8.150 1.00 0.00 C ATOM 1139 C PHE A 69 1.539 10.118 -7.666 1.00 0.00 C ATOM 1140 O PHE A 69 2.254 10.869 -7.004 1.00 0.00 O ATOM 1141 CB PHE A 69 2.214 8.763 -9.677 1.00 0.00 C ATOM 1142 CG PHE A 69 3.443 9.476 -10.178 1.00 0.00 C ATOM 1143 CD1 PHE A 69 4.708 9.071 -9.784 1.00 0.00 C ATOM 1144 CD2 PHE A 69 3.328 10.551 -11.046 1.00 0.00 C ATOM 1145 CE1 PHE A 69 5.836 9.723 -10.247 1.00 0.00 C ATOM 1146 CE2 PHE A 69 4.451 11.207 -11.510 1.00 0.00 C ATOM 1147 CZ PHE A 69 5.706 10.792 -11.111 1.00 0.00 C ATOM 0 H PHE A 69 0.193 7.909 -7.781 1.00 0.00 H new ATOM 0 HA PHE A 69 3.053 8.609 -7.706 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.237 7.731 -10.026 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.332 9.228 -10.117 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.814 8.236 -9.107 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.349 10.879 -11.363 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.817 9.397 -9.933 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.348 12.044 -12.185 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.585 11.303 -11.474 1.00 0.00 H new ATOM 1157 N THR A 70 0.278 10.408 -7.997 1.00 0.00 N ATOM 1158 CA THR A 70 -0.367 11.660 -7.592 1.00 0.00 C ATOM 1159 C THR A 70 -1.894 11.493 -7.538 1.00 0.00 C ATOM 1160 O THR A 70 -2.643 12.412 -7.880 1.00 0.00 O ATOM 1161 CB THR A 70 0.014 12.796 -8.552 1.00 0.00 C ATOM 1162 OG1 THR A 70 0.234 12.305 -9.868 1.00 0.00 O ATOM 1163 CG2 THR A 70 1.256 13.550 -8.126 1.00 0.00 C ATOM 0 H THR A 70 -0.319 9.790 -8.547 1.00 0.00 H new ATOM 0 HA THR A 70 -0.015 11.917 -6.593 1.00 0.00 H new ATOM 0 HB THR A 70 -0.834 13.481 -8.530 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.474 13.049 -10.459 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.469 14.338 -8.848 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.094 13.992 -7.143 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.101 12.863 -8.080 1.00 0.00 H new ATOM 1171 N ASP A 71 -2.345 10.311 -7.106 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.775 10.013 -7.010 1.00 0.00 C ATOM 1173 C ASP A 71 -4.155 9.599 -5.586 1.00 0.00 C ATOM 1174 O ASP A 71 -3.288 9.257 -4.780 1.00 0.00 O ATOM 1175 CB ASP A 71 -4.142 8.897 -7.999 1.00 0.00 C ATOM 1176 CG ASP A 71 -5.295 9.276 -8.912 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -5.253 10.375 -9.504 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -6.244 8.472 -9.031 1.00 0.00 O ATOM 0 H ASP A 71 -1.738 9.544 -6.817 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.332 10.916 -7.261 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.269 8.653 -8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.405 7.997 -7.443 1.00 0.00 H new ATOM 1183 N PRO A 72 -5.467 9.627 -5.255 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.962 9.253 -3.921 1.00 0.00 C ATOM 1185 C PRO A 72 -5.610 7.808 -3.551 1.00 0.00 C ATOM 1186 O PRO A 72 -5.117 7.048 -4.386 1.00 0.00 O ATOM 1187 CB PRO A 72 -7.485 9.417 -4.037 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.690 10.321 -5.203 1.00 0.00 C ATOM 1189 CD PRO A 72 -6.566 10.023 -6.153 1.00 0.00 C ATOM 0 HA PRO A 72 -5.514 9.867 -3.140 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.974 8.456 -4.193 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.906 9.845 -3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.657 10.141 -5.672 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.675 11.366 -4.895 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.826 9.225 -6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.303 10.894 -6.752 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.861 7.410 -2.287 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.568 6.050 -1.811 1.00 0.00 C ATOM 1199 C PRO A 73 -6.412 4.987 -2.513 1.00 0.00 C ATOM 1200 O PRO A 73 -7.361 5.308 -3.231 1.00 0.00 O ATOM 1201 CB PRO A 73 -5.910 6.106 -0.320 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.861 7.243 -0.187 1.00 0.00 C ATOM 1203 CD PRO A 73 -6.449 8.248 -1.224 1.00 0.00 C ATOM 0 HA PRO A 73 -4.535 5.768 -2.013 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.361 5.173 0.017 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.017 6.265 0.284 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.888 6.914 -0.348 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.817 7.674 0.813 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.300 8.823 -1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.727 8.963 -0.828 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.059 3.720 -2.301 1.00 0.00 N ATOM 1212 CA PHE A 74 -6.781 2.610 -2.917 1.00 0.00 C ATOM 1213 C PHE A 74 -7.439 1.711 -1.868 1.00 0.00 C ATOM 1214 O PHE A 74 -7.098 0.535 -1.743 1.00 0.00 O ATOM 1215 CB PHE A 74 -5.836 1.794 -3.804 1.00 0.00 C ATOM 1216 CG PHE A 74 -5.627 2.389 -5.169 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -6.710 2.696 -5.979 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -4.349 2.643 -5.642 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -6.522 3.245 -7.233 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -4.156 3.191 -6.895 1.00 0.00 C ATOM 1221 CZ PHE A 74 -5.244 3.492 -7.691 1.00 0.00 C ATOM 0 H PHE A 74 -5.278 3.438 -1.708 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.576 3.030 -3.533 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.871 1.703 -3.305 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.235 0.785 -3.914 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.712 2.504 -5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.495 2.410 -5.024 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.374 3.480 -7.854 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.155 3.384 -7.252 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.095 3.920 -8.671 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.397 2.274 -1.129 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.129 1.535 -0.104 1.00 0.00 C ATOM 1233 C ARG A 75 -10.268 0.742 -0.751 1.00 0.00 C ATOM 1234 O ARG A 75 -11.380 1.253 -0.911 1.00 0.00 O ATOM 1235 CB ARG A 75 -9.679 2.502 0.958 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.677 1.873 1.925 1.00 0.00 C ATOM 1237 CD ARG A 75 -10.021 0.833 2.818 1.00 0.00 C ATOM 1238 NE ARG A 75 -10.893 0.427 3.922 1.00 0.00 N ATOM 1239 CZ ARG A 75 -10.575 -0.506 4.824 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -9.407 -1.142 4.757 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -11.432 -0.807 5.795 1.00 0.00 N ATOM 0 H ARG A 75 -8.684 3.248 -1.225 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.450 0.837 0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.844 2.908 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.159 3.341 0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.125 2.652 2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.486 1.409 1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.759 -0.042 2.223 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.091 1.235 3.220 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.800 0.885 4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.746 -0.918 4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.173 -1.853 5.450 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.330 -0.326 5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.192 -1.519 6.485 1.00 0.00 H new ATOM 1255 N ILE A 76 -9.980 -0.500 -1.135 1.00 0.00 N ATOM 1256 CA ILE A 76 -10.974 -1.357 -1.780 1.00 0.00 C ATOM 1257 C ILE A 76 -11.101 -2.700 -1.063 1.00 0.00 C ATOM 1258 O ILE A 76 -10.102 -3.361 -0.779 1.00 0.00 O ATOM 1259 CB ILE A 76 -10.625 -1.615 -3.264 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -10.227 -0.309 -3.964 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -11.797 -2.268 -3.983 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -8.759 -0.241 -4.328 1.00 0.00 C ATOM 0 H ILE A 76 -9.066 -0.936 -1.011 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.924 -0.826 -1.723 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.774 -2.296 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.823 -0.195 -4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.471 0.531 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.533 -2.442 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.033 -3.219 -3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.666 -1.612 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.550 0.709 -4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.156 -0.323 -3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.513 -1.060 -5.003 1.00 0.00 H new ATOM 1274 N GLU A 77 -12.341 -3.104 -0.786 1.00 0.00 N ATOM 1275 CA GLU A 77 -12.610 -4.373 -0.115 1.00 0.00 C ATOM 1276 C GLU A 77 -13.778 -5.096 -0.784 1.00 0.00 C ATOM 1277 O GLU A 77 -14.873 -4.545 -0.906 1.00 0.00 O ATOM 1278 CB GLU A 77 -12.900 -4.150 1.373 1.00 0.00 C ATOM 1279 CG GLU A 77 -13.945 -3.074 1.648 1.00 0.00 C ATOM 1280 CD GLU A 77 -14.213 -2.876 3.129 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -13.239 -2.727 3.899 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -15.400 -2.864 3.520 1.00 0.00 O ATOM 0 H GLU A 77 -13.177 -2.567 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.721 -4.998 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.237 -5.089 1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.972 -3.878 1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.611 -2.131 1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.876 -3.342 1.148 1.00 0.00 H new ATOM 1289 N GLU A 78 -13.530 -6.326 -1.228 1.00 0.00 N ATOM 1290 CA GLU A 78 -14.554 -7.120 -1.900 1.00 0.00 C ATOM 1291 C GLU A 78 -14.601 -8.551 -1.360 1.00 0.00 C ATOM 1292 O GLU A 78 -13.811 -8.926 -0.490 1.00 0.00 O ATOM 1293 CB GLU A 78 -14.295 -7.135 -3.410 1.00 0.00 C ATOM 1294 CG GLU A 78 -15.300 -6.316 -4.208 1.00 0.00 C ATOM 1295 CD GLU A 78 -16.554 -7.097 -4.557 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -16.429 -8.200 -5.132 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -17.662 -6.607 -4.255 1.00 0.00 O ATOM 0 H GLU A 78 -12.629 -6.794 -1.134 1.00 0.00 H new ATOM 0 HA GLU A 78 -15.521 -6.658 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.293 -6.752 -3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.316 -8.166 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.577 -5.431 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.829 -5.966 -5.126 1.00 0.00 H new ATOM 1304 N GLN A 79 -15.538 -9.342 -1.885 1.00 0.00 N ATOM 1305 CA GLN A 79 -15.707 -10.732 -1.469 1.00 0.00 C ATOM 1306 C GLN A 79 -15.760 -11.666 -2.680 1.00 0.00 C ATOM 1307 O GLN A 79 -15.656 -11.219 -3.824 1.00 0.00 O ATOM 1308 CB GLN A 79 -16.988 -10.885 -0.636 1.00 0.00 C ATOM 1309 CG GLN A 79 -18.264 -10.544 -1.397 1.00 0.00 C ATOM 1310 CD GLN A 79 -18.798 -11.716 -2.202 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -18.699 -11.737 -3.428 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -19.369 -12.699 -1.515 1.00 0.00 N ATOM 0 H GLN A 79 -16.195 -9.039 -2.604 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.847 -11.008 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.055 -11.912 -0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -16.918 -10.243 0.242 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -19.027 -10.216 -0.691 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -18.070 -9.707 -2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -19.431 -12.642 -0.498 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.746 -13.511 -2.004 1.00 0.00 H new ATOM 1321 N GLY A 80 -15.929 -12.963 -2.418 1.00 0.00 N ATOM 1322 CA GLY A 80 -16.004 -13.942 -3.491 1.00 0.00 C ATOM 1323 C GLY A 80 -15.018 -15.082 -3.322 1.00 0.00 C ATOM 1324 O GLY A 80 -14.691 -15.464 -2.198 1.00 0.00 O ATOM 0 H GLY A 80 -16.015 -13.352 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.015 -14.347 -3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.817 -13.445 -4.443 1.00 0.00 H new ATOM 1328 N TRP A 81 -14.547 -15.630 -4.443 1.00 0.00 N ATOM 1329 CA TRP A 81 -13.595 -16.736 -4.416 1.00 0.00 C ATOM 1330 C TRP A 81 -12.283 -16.342 -5.096 1.00 0.00 C ATOM 1331 O TRP A 81 -12.230 -16.173 -6.316 1.00 0.00 O ATOM 1332 CB TRP A 81 -14.196 -17.969 -5.101 1.00 0.00 C ATOM 1333 CG TRP A 81 -14.281 -19.164 -4.202 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -15.130 -19.338 -3.147 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -13.487 -20.354 -4.278 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -14.910 -20.560 -2.561 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -13.905 -21.202 -3.236 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -12.458 -20.783 -5.123 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -13.336 -22.455 -3.020 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -11.894 -22.026 -4.908 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -12.334 -22.849 -3.863 1.00 0.00 C ATOM 0 H TRP A 81 -14.811 -15.325 -5.380 1.00 0.00 H new ATOM 0 HA TRP A 81 -13.382 -16.978 -3.375 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.194 -17.724 -5.464 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -13.593 -18.221 -5.973 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -15.867 -18.619 -2.821 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.413 -20.930 -1.754 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -12.111 -20.154 -5.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -13.674 -23.092 -2.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.101 -22.369 -5.556 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.872 -23.815 -3.720 1.00 0.00 H new ATOM 1352 N GLY A 82 -11.229 -16.199 -4.293 1.00 0.00 N ATOM 1353 CA GLY A 82 -9.925 -15.826 -4.821 1.00 0.00 C ATOM 1354 C GLY A 82 -8.792 -16.248 -3.899 1.00 0.00 C ATOM 1355 O GLY A 82 -8.609 -17.438 -3.645 1.00 0.00 O ATOM 0 H GLY A 82 -11.255 -16.335 -3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.786 -16.286 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.889 -14.747 -4.968 1.00 0.00 H new ATOM 1359 N GLY A 83 -8.038 -15.270 -3.394 1.00 0.00 N ATOM 1360 CA GLY A 83 -6.935 -15.571 -2.494 1.00 0.00 C ATOM 1361 C GLY A 83 -5.610 -15.720 -3.221 1.00 0.00 C ATOM 1362 O GLY A 83 -5.437 -16.642 -4.018 1.00 0.00 O ATOM 0 H GLY A 83 -8.171 -14.278 -3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.850 -14.777 -1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.154 -16.492 -1.953 1.00 0.00 H new ATOM 1366 N PHE A 84 -4.675 -14.807 -2.943 1.00 0.00 N ATOM 1367 CA PHE A 84 -3.355 -14.828 -3.575 1.00 0.00 C ATOM 1368 C PHE A 84 -2.374 -13.913 -2.829 1.00 0.00 C ATOM 1369 O PHE A 84 -2.780 -13.124 -1.975 1.00 0.00 O ATOM 1370 CB PHE A 84 -3.466 -14.388 -5.041 1.00 0.00 C ATOM 1371 CG PHE A 84 -3.622 -15.523 -6.019 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -2.786 -16.629 -5.970 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -4.607 -15.479 -6.993 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -2.932 -17.666 -6.873 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -4.757 -16.513 -7.898 1.00 0.00 C ATOM 1376 CZ PHE A 84 -3.918 -17.607 -7.837 1.00 0.00 C ATOM 0 H PHE A 84 -4.810 -14.042 -2.282 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.974 -15.848 -3.532 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.318 -13.716 -5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.576 -13.816 -5.305 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.012 -16.681 -5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.266 -14.625 -7.046 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.275 -18.522 -6.824 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.529 -16.465 -8.651 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.033 -18.416 -8.543 1.00 0.00 H new ATOM 1386 N PRO A 85 -1.065 -14.012 -3.149 1.00 0.00 N ATOM 1387 CA PRO A 85 -0.019 -13.193 -2.511 1.00 0.00 C ATOM 1388 C PRO A 85 -0.148 -11.703 -2.831 1.00 0.00 C ATOM 1389 O PRO A 85 -1.081 -11.285 -3.512 1.00 0.00 O ATOM 1390 CB PRO A 85 1.281 -13.749 -3.098 1.00 0.00 C ATOM 1391 CG PRO A 85 0.882 -14.394 -4.378 1.00 0.00 C ATOM 1392 CD PRO A 85 -0.499 -14.933 -4.152 1.00 0.00 C ATOM 0 HA PRO A 85 -0.077 -13.252 -1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.009 -12.955 -3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.744 -14.468 -2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.892 -13.675 -5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.574 -15.192 -4.646 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.085 -14.935 -5.071 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.475 -15.960 -3.787 1.00 0.00 H new ATOM 1400 N LEU A 86 0.800 -10.911 -2.327 1.00 0.00 N ATOM 1401 CA LEU A 86 0.809 -9.466 -2.541 1.00 0.00 C ATOM 1402 C LEU A 86 2.241 -8.942 -2.638 1.00 0.00 C ATOM 1403 O LEU A 86 3.193 -9.642 -2.287 1.00 0.00 O ATOM 1404 CB LEU A 86 0.072 -8.753 -1.402 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.414 -9.097 -1.264 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.603 -10.322 -0.382 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -2.187 -7.912 -0.705 1.00 0.00 C ATOM 0 H LEU A 86 1.578 -11.252 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 86 0.297 -9.260 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.572 -8.992 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.166 -7.677 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.805 -9.326 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.666 -10.549 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.085 -11.173 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.194 -10.124 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.241 -8.175 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.792 -7.651 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.083 -7.060 -1.377 1.00 0.00 H new ATOM 1419 N ASP A 87 2.382 -7.708 -3.113 1.00 0.00 N ATOM 1420 CA ASP A 87 3.693 -7.081 -3.259 1.00 0.00 C ATOM 1421 C ASP A 87 3.564 -5.563 -3.309 1.00 0.00 C ATOM 1422 O ASP A 87 2.843 -5.021 -4.148 1.00 0.00 O ATOM 1423 CB ASP A 87 4.390 -7.588 -4.526 1.00 0.00 C ATOM 1424 CG ASP A 87 5.865 -7.234 -4.555 1.00 0.00 C ATOM 1425 OD1 ASP A 87 6.603 -7.675 -3.647 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.284 -6.510 -5.484 1.00 0.00 O ATOM 0 H ASP A 87 1.601 -7.120 -3.405 1.00 0.00 H new ATOM 0 HA ASP A 87 4.295 -7.350 -2.391 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.277 -8.670 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.900 -7.163 -5.402 1.00 0.00 H new ATOM 1431 N ILE A 88 4.260 -4.883 -2.403 1.00 0.00 N ATOM 1432 CA ILE A 88 4.214 -3.425 -2.344 1.00 0.00 C ATOM 1433 C ILE A 88 5.620 -2.834 -2.321 1.00 0.00 C ATOM 1434 O ILE A 88 6.359 -3.004 -1.349 1.00 0.00 O ATOM 1435 CB ILE A 88 3.434 -2.942 -1.103 1.00 0.00 C ATOM 1436 CG1 ILE A 88 2.091 -3.672 -1.005 1.00 0.00 C ATOM 1437 CG2 ILE A 88 3.221 -1.432 -1.154 1.00 0.00 C ATOM 1438 CD1 ILE A 88 1.373 -3.453 0.305 1.00 0.00 C ATOM 0 H ILE A 88 4.861 -5.316 -1.702 1.00 0.00 H new ATOM 0 HA ILE A 88 3.698 -3.082 -3.241 1.00 0.00 H new ATOM 0 HB ILE A 88 4.021 -3.172 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.448 -3.342 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.258 -4.740 -1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.669 -1.112 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.188 -0.929 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.654 -1.175 -2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.431 -4.001 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.996 -3.810 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.173 -2.390 0.437 1.00 0.00 H new ATOM 1450 N SER A 89 5.981 -2.141 -3.400 1.00 0.00 N ATOM 1451 CA SER A 89 7.299 -1.520 -3.512 1.00 0.00 C ATOM 1452 C SER A 89 7.170 -0.010 -3.690 1.00 0.00 C ATOM 1453 O SER A 89 6.623 0.463 -4.687 1.00 0.00 O ATOM 1454 CB SER A 89 8.089 -2.127 -4.678 1.00 0.00 C ATOM 1455 OG SER A 89 7.272 -2.948 -5.500 1.00 0.00 O ATOM 0 H SER A 89 5.378 -1.996 -4.210 1.00 0.00 H new ATOM 0 HA SER A 89 7.843 -1.715 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.521 -1.327 -5.279 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.919 -2.716 -4.287 1.00 0.00 H new ATOM 0 HG SER A 89 7.809 -3.315 -6.233 1.00 0.00 H new ATOM 1461 N VAL A 90 7.673 0.740 -2.712 1.00 0.00 N ATOM 1462 CA VAL A 90 7.612 2.196 -2.751 1.00 0.00 C ATOM 1463 C VAL A 90 8.975 2.801 -3.098 1.00 0.00 C ATOM 1464 O VAL A 90 10.013 2.294 -2.670 1.00 0.00 O ATOM 1465 CB VAL A 90 7.103 2.769 -1.403 1.00 0.00 C ATOM 1466 CG1 VAL A 90 8.238 2.958 -0.407 1.00 0.00 C ATOM 1467 CG2 VAL A 90 6.356 4.076 -1.623 1.00 0.00 C ATOM 0 H VAL A 90 8.128 0.361 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 90 6.905 2.470 -3.534 1.00 0.00 H new ATOM 0 HB VAL A 90 6.412 2.042 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.841 3.361 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.715 1.998 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.972 3.651 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.007 4.461 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.023 4.803 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.501 3.901 -2.277 1.00 0.00 H new ATOM 1477 N PHE A 91 8.956 3.889 -3.869 1.00 0.00 N ATOM 1478 CA PHE A 91 10.181 4.579 -4.276 1.00 0.00 C ATOM 1479 C PHE A 91 10.039 6.086 -4.074 1.00 0.00 C ATOM 1480 O PHE A 91 8.925 6.615 -4.056 1.00 0.00 O ATOM 1481 CB PHE A 91 10.509 4.279 -5.741 1.00 0.00 C ATOM 1482 CG PHE A 91 11.219 2.971 -5.944 1.00 0.00 C ATOM 1483 CD1 PHE A 91 12.493 2.776 -5.435 1.00 0.00 C ATOM 1484 CD2 PHE A 91 10.615 1.940 -6.644 1.00 0.00 C ATOM 1485 CE1 PHE A 91 13.151 1.575 -5.619 1.00 0.00 C ATOM 1486 CE2 PHE A 91 11.269 0.737 -6.832 1.00 0.00 C ATOM 1487 CZ PHE A 91 12.537 0.555 -6.319 1.00 0.00 C ATOM 0 H PHE A 91 8.100 4.314 -4.226 1.00 0.00 H new ATOM 0 HA PHE A 91 10.997 4.215 -3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 91 9.584 4.274 -6.318 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.128 5.084 -6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 91 12.977 3.572 -4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 91 9.623 2.077 -7.047 1.00 0.00 H new ATOM 0 HE1 PHE A 91 14.143 1.434 -5.216 1.00 0.00 H new ATOM 0 HE2 PHE A 91 10.788 -0.060 -7.380 1.00 0.00 H new ATOM 0 HZ PHE A 91 13.049 -0.385 -6.465 1.00 0.00 H new ATOM 1497 N LEU A 92 11.170 6.772 -3.918 1.00 0.00 N ATOM 1498 CA LEU A 92 11.160 8.218 -3.713 1.00 0.00 C ATOM 1499 C LEU A 92 12.319 8.899 -4.435 1.00 0.00 C ATOM 1500 O LEU A 92 12.103 9.717 -5.329 1.00 0.00 O ATOM 1501 CB LEU A 92 11.215 8.539 -2.219 1.00 0.00 C ATOM 1502 CG LEU A 92 11.287 10.032 -1.886 1.00 0.00 C ATOM 1503 CD1 LEU A 92 9.893 10.595 -1.664 1.00 0.00 C ATOM 1504 CD2 LEU A 92 12.163 10.261 -0.667 1.00 0.00 C ATOM 0 H LEU A 92 12.100 6.352 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 92 10.232 8.604 -4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.333 8.116 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.083 8.042 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 92 11.734 10.556 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.963 11.657 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.299 10.462 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.416 10.070 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.204 11.327 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.745 9.727 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.169 9.894 -0.868 1.00 0.00 H new ATOM 1516 N LEU A 93 13.549 8.576 -4.043 1.00 0.00 N ATOM 1517 CA LEU A 93 14.719 9.181 -4.665 1.00 0.00 C ATOM 1518 C LEU A 93 15.874 8.185 -4.762 1.00 0.00 C ATOM 1519 O LEU A 93 16.242 7.762 -5.859 1.00 0.00 O ATOM 1520 CB LEU A 93 15.148 10.425 -3.881 1.00 0.00 C ATOM 1521 CG LEU A 93 15.761 11.543 -4.726 1.00 0.00 C ATOM 1522 CD1 LEU A 93 15.440 12.903 -4.124 1.00 0.00 C ATOM 1523 CD2 LEU A 93 17.265 11.351 -4.851 1.00 0.00 C ATOM 0 H LEU A 93 13.758 7.905 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 93 14.450 9.476 -5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.280 10.822 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 93 15.871 10.126 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 93 15.326 11.501 -5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.884 13.687 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.359 13.039 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 93 15.847 12.959 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 93 17.685 12.155 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.718 11.367 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 93 17.471 10.393 -5.328 1.00 0.00 H new ATOM 1535 N GLU A 94 16.445 7.815 -3.612 1.00 0.00 N ATOM 1536 CA GLU A 94 17.563 6.874 -3.580 1.00 0.00 C ATOM 1537 C GLU A 94 17.522 6.003 -2.324 1.00 0.00 C ATOM 1538 O GLU A 94 17.380 4.783 -2.415 1.00 0.00 O ATOM 1539 CB GLU A 94 18.895 7.625 -3.651 1.00 0.00 C ATOM 1540 CG GLU A 94 19.270 8.064 -5.058 1.00 0.00 C ATOM 1541 CD GLU A 94 20.520 8.922 -5.090 1.00 0.00 C ATOM 1542 OE1 GLU A 94 20.423 10.125 -4.771 1.00 0.00 O ATOM 1543 OE2 GLU A 94 21.594 8.389 -5.433 1.00 0.00 O ATOM 0 H GLU A 94 16.151 8.152 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 94 17.472 6.222 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.843 8.503 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.685 6.986 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.423 7.182 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.441 8.621 -5.493 1.00 0.00 H new ATOM 1550 N LYS A 95 17.655 6.632 -1.154 1.00 0.00 N ATOM 1551 CA LYS A 95 17.637 5.903 0.117 1.00 0.00 C ATOM 1552 C LYS A 95 16.974 6.730 1.219 1.00 0.00 C ATOM 1553 O LYS A 95 17.537 6.908 2.302 1.00 0.00 O ATOM 1554 CB LYS A 95 19.063 5.523 0.535 1.00 0.00 C ATOM 1555 CG LYS A 95 19.811 4.699 -0.500 1.00 0.00 C ATOM 1556 CD LYS A 95 20.744 5.567 -1.332 1.00 0.00 C ATOM 1557 CE LYS A 95 20.996 4.964 -2.706 1.00 0.00 C ATOM 1558 NZ LYS A 95 21.901 3.783 -2.640 1.00 0.00 N ATOM 0 H LYS A 95 17.776 7.640 -1.060 1.00 0.00 H new ATOM 0 HA LYS A 95 17.053 4.994 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 95 19.627 6.434 0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 95 19.020 4.962 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 95 20.386 3.919 -0.000 1.00 0.00 H new ATOM 0 HG3 LYS A 95 19.097 4.199 -1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 95 20.312 6.562 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 95 21.692 5.688 -0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 95 20.046 4.668 -3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 95 21.433 5.720 -3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 22.046 3.403 -3.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 22.817 4.069 -2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 21.473 3.051 -2.038 1.00 0.00 H new ATOM 1572 N ALA A 96 15.774 7.233 0.939 1.00 0.00 N ATOM 1573 CA ALA A 96 15.033 8.038 1.910 1.00 0.00 C ATOM 1574 C ALA A 96 13.893 7.241 2.541 1.00 0.00 C ATOM 1575 O ALA A 96 13.604 7.398 3.729 1.00 0.00 O ATOM 1576 CB ALA A 96 14.496 9.301 1.254 1.00 0.00 C ATOM 0 H ALA A 96 15.294 7.098 0.049 1.00 0.00 H new ATOM 0 HA ALA A 96 15.724 8.320 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.947 9.888 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.326 9.890 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 96 13.829 9.030 0.436 1.00 0.00 H new ATOM 1582 N GLY A 97 13.246 6.392 1.740 1.00 0.00 N ATOM 1583 CA GLY A 97 12.145 5.589 2.239 1.00 0.00 C ATOM 1584 C GLY A 97 11.548 4.692 1.170 1.00 0.00 C ATOM 1585 O GLY A 97 10.327 4.616 1.033 1.00 0.00 O ATOM 0 H GLY A 97 13.467 6.248 0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.494 4.976 3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.369 6.246 2.632 1.00 0.00 H new ATOM 1589 N GLU A 98 12.410 4.010 0.414 1.00 0.00 N ATOM 1590 CA GLU A 98 11.957 3.114 -0.645 1.00 0.00 C ATOM 1591 C GLU A 98 12.247 1.658 -0.283 1.00 0.00 C ATOM 1592 O GLU A 98 13.403 1.235 -0.225 1.00 0.00 O ATOM 1593 CB GLU A 98 12.610 3.480 -1.986 1.00 0.00 C ATOM 1594 CG GLU A 98 14.133 3.456 -1.976 1.00 0.00 C ATOM 1595 CD GLU A 98 14.728 4.002 -3.260 1.00 0.00 C ATOM 1596 OE1 GLU A 98 14.494 5.192 -3.565 1.00 0.00 O ATOM 1597 OE2 GLU A 98 15.425 3.239 -3.961 1.00 0.00 O ATOM 0 H GLU A 98 13.423 4.062 0.517 1.00 0.00 H new ATOM 0 HA GLU A 98 10.878 3.231 -0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.254 2.789 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.277 4.476 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.497 4.042 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.477 2.433 -1.826 1.00 0.00 H new ATOM 1604 N ARG A 99 11.181 0.900 -0.024 1.00 0.00 N ATOM 1605 CA ARG A 99 11.307 -0.508 0.345 1.00 0.00 C ATOM 1606 C ARG A 99 10.190 -1.346 -0.274 1.00 0.00 C ATOM 1607 O ARG A 99 9.087 -0.851 -0.514 1.00 0.00 O ATOM 1608 CB ARG A 99 11.279 -0.661 1.871 1.00 0.00 C ATOM 1609 CG ARG A 99 11.985 -1.913 2.371 1.00 0.00 C ATOM 1610 CD ARG A 99 11.400 -2.400 3.688 1.00 0.00 C ATOM 1611 NE ARG A 99 11.636 -3.828 3.902 1.00 0.00 N ATOM 1612 CZ ARG A 99 11.506 -4.443 5.082 1.00 0.00 C ATOM 1613 NH1 ARG A 99 11.131 -3.761 6.163 1.00 0.00 N ATOM 1614 NH2 ARG A 99 11.747 -5.746 5.181 1.00 0.00 N ATOM 0 H ARG A 99 10.220 1.239 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 99 12.261 -0.868 -0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.745 0.214 2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.242 -0.680 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 99 11.902 -2.701 1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.047 -1.705 2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.838 -1.834 4.510 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.328 -2.204 3.702 1.00 0.00 H new ATOM 0 HE ARG A 99 11.918 -4.391 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 99 10.940 -2.761 6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.034 -4.238 7.059 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.031 -6.276 4.357 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.648 -6.216 6.081 1.00 0.00 H new ATOM 1628 N LYS A 100 10.484 -2.625 -0.515 1.00 0.00 N ATOM 1629 CA LYS A 100 9.507 -3.548 -1.088 1.00 0.00 C ATOM 1630 C LYS A 100 9.204 -4.678 -0.107 1.00 0.00 C ATOM 1631 O LYS A 100 10.119 -5.330 0.401 1.00 0.00 O ATOM 1632 CB LYS A 100 10.015 -4.122 -2.416 1.00 0.00 C ATOM 1633 CG LYS A 100 11.259 -4.991 -2.282 1.00 0.00 C ATOM 1634 CD LYS A 100 12.173 -4.857 -3.491 1.00 0.00 C ATOM 1635 CE LYS A 100 11.610 -5.589 -4.702 1.00 0.00 C ATOM 1636 NZ LYS A 100 10.818 -4.689 -5.591 1.00 0.00 N ATOM 0 H LYS A 100 11.393 -3.044 -0.321 1.00 0.00 H new ATOM 0 HA LYS A 100 8.588 -2.995 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.220 -4.712 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.232 -3.298 -3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.804 -4.709 -1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.963 -6.033 -2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.307 -3.802 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.158 -5.256 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.429 -6.029 -5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.978 -6.411 -4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.614 -5.177 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.924 -4.437 -5.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.363 -3.825 -5.785 1.00 0.00 H new ATOM 1650 N ILE A 101 7.918 -4.900 0.167 1.00 0.00 N ATOM 1651 CA ILE A 101 7.510 -5.947 1.099 1.00 0.00 C ATOM 1652 C ILE A 101 6.274 -6.703 0.604 1.00 0.00 C ATOM 1653 O ILE A 101 5.217 -6.111 0.373 1.00 0.00 O ATOM 1654 CB ILE A 101 7.236 -5.371 2.510 1.00 0.00 C ATOM 1655 CG1 ILE A 101 6.908 -6.498 3.497 1.00 0.00 C ATOM 1656 CG2 ILE A 101 6.110 -4.344 2.471 1.00 0.00 C ATOM 1657 CD1 ILE A 101 7.430 -6.249 4.897 1.00 0.00 C ATOM 0 H ILE A 101 7.147 -4.372 -0.241 1.00 0.00 H new ATOM 0 HA ILE A 101 8.341 -6.649 1.159 1.00 0.00 H new ATOM 0 HB ILE A 101 8.140 -4.866 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.827 -6.629 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.328 -7.431 3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.937 -3.955 3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.387 -3.525 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.199 -4.817 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 101 7.161 -7.087 5.540 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.515 -6.148 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.990 -5.333 5.292 1.00 0.00 H new ATOM 1669 N PRO A 102 6.398 -8.034 0.431 1.00 0.00 N ATOM 1670 CA PRO A 102 5.302 -8.879 -0.032 1.00 0.00 C ATOM 1671 C PRO A 102 4.413 -9.359 1.114 1.00 0.00 C ATOM 1672 O PRO A 102 4.820 -9.338 2.279 1.00 0.00 O ATOM 1673 CB PRO A 102 6.040 -10.049 -0.673 1.00 0.00 C ATOM 1674 CG PRO A 102 7.287 -10.197 0.136 1.00 0.00 C ATOM 1675 CD PRO A 102 7.624 -8.823 0.671 1.00 0.00 C ATOM 0 HA PRO A 102 4.622 -8.356 -0.705 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.440 -10.959 -0.646 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.268 -9.848 -1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.137 -10.904 0.952 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.102 -10.584 -0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.875 -8.858 1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.482 -8.393 0.155 1.00 0.00 H new ATOM 1683 N HIS A 103 3.195 -9.781 0.777 1.00 0.00 N ATOM 1684 CA HIS A 103 2.237 -10.259 1.775 1.00 0.00 C ATOM 1685 C HIS A 103 1.389 -11.402 1.219 1.00 0.00 C ATOM 1686 O HIS A 103 1.455 -11.712 0.032 1.00 0.00 O ATOM 1687 CB HIS A 103 1.331 -9.107 2.234 1.00 0.00 C ATOM 1688 CG HIS A 103 2.083 -7.875 2.635 1.00 0.00 C ATOM 1689 ND1 HIS A 103 2.258 -6.798 1.794 1.00 0.00 N ATOM 1690 CD2 HIS A 103 2.714 -7.556 3.790 1.00 0.00 C ATOM 1691 CE1 HIS A 103 2.966 -5.870 2.413 1.00 0.00 C ATOM 1692 NE2 HIS A 103 3.255 -6.306 3.626 1.00 0.00 N ATOM 0 H HIS A 103 2.847 -9.802 -0.182 1.00 0.00 H new ATOM 0 HA HIS A 103 2.798 -10.635 2.630 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.641 -8.855 1.428 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.727 -9.444 3.077 1.00 0.00 H new ATOM 0 HD1 HIS A 103 1.897 -6.728 0.842 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.779 -8.171 4.675 1.00 0.00 H new ATOM 0 HE1 HIS A 103 3.259 -4.917 1.998 1.00 0.00 H new ATOM 1701 N ASP A 104 0.593 -12.025 2.086 1.00 0.00 N ATOM 1702 CA ASP A 104 -0.273 -13.131 1.683 1.00 0.00 C ATOM 1703 C ASP A 104 -1.728 -12.847 2.043 1.00 0.00 C ATOM 1704 O ASP A 104 -2.021 -12.229 3.066 1.00 0.00 O ATOM 1705 CB ASP A 104 0.183 -14.455 2.329 1.00 0.00 C ATOM 1706 CG ASP A 104 0.359 -14.393 3.846 1.00 0.00 C ATOM 1707 OD1 ASP A 104 0.121 -13.324 4.453 1.00 0.00 O ATOM 1708 OD2 ASP A 104 0.745 -15.426 4.430 1.00 0.00 O ATOM 0 H ASP A 104 0.530 -11.782 3.075 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.197 -13.229 0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.546 -15.230 2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.128 -14.758 1.878 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.637 -13.309 1.189 1.00 0.00 N ATOM 1714 CA LEU A 105 -4.063 -13.116 1.412 1.00 0.00 C ATOM 1715 C LEU A 105 -4.834 -14.382 1.048 1.00 0.00 C ATOM 1716 O LEU A 105 -5.429 -14.473 -0.027 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.571 -11.923 0.599 1.00 0.00 C ATOM 1718 CG LEU A 105 -6.048 -11.584 0.800 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -6.220 -10.591 1.941 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.637 -11.038 -0.491 1.00 0.00 C ATOM 0 H LEU A 105 -2.409 -13.820 0.336 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.226 -12.907 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.975 -11.047 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.401 -12.125 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.585 -12.494 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.278 -10.363 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.829 -11.024 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.676 -9.675 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.690 -10.799 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.099 -10.136 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.545 -11.787 -1.278 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.807 -15.361 1.950 1.00 0.00 N ATOM 1733 CA ASN A 106 -5.499 -16.630 1.724 1.00 0.00 C ATOM 1734 C ASN A 106 -5.703 -17.395 3.034 1.00 0.00 C ATOM 1735 O ASN A 106 -5.579 -18.622 3.079 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.711 -17.475 0.719 1.00 0.00 C ATOM 1737 CG ASN A 106 -5.513 -18.641 0.171 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -6.724 -18.367 -0.303 1.00 0.00 O flip ATOM 1739 ND2 ASN A 106 -5.046 -19.779 0.170 1.00 0.00 N flip ATOM 0 H ASN A 106 -4.315 -15.301 2.842 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.487 -16.417 1.315 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -4.389 -16.841 -0.108 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.809 -17.855 1.199 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.112 -19.947 0.543 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.593 -20.554 -0.204 1.00 0.00 H new ATOM 1746 N PHE A 107 -6.019 -16.665 4.103 1.00 0.00 N ATOM 1747 CA PHE A 107 -6.233 -17.275 5.409 1.00 0.00 C ATOM 1748 C PHE A 107 -7.384 -16.601 6.150 1.00 0.00 C ATOM 1749 O PHE A 107 -7.432 -15.374 6.255 1.00 0.00 O ATOM 1750 CB PHE A 107 -4.953 -17.183 6.241 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.774 -17.878 5.613 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -3.604 -19.244 5.755 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -2.839 -17.161 4.882 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -2.523 -19.885 5.180 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -1.757 -17.796 4.305 1.00 0.00 C ATOM 1756 CZ PHE A 107 -1.599 -19.162 4.455 1.00 0.00 C ATOM 0 H PHE A 107 -6.132 -15.651 4.088 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.494 -18.322 5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.705 -16.133 6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.137 -17.615 7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.324 -19.816 6.322 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.958 -16.094 4.763 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.402 -20.952 5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.035 -17.227 3.738 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.754 -19.661 4.005 1.00 0.00 H new ATOM 1766 N LEU A 108 -8.309 -17.416 6.663 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.460 -16.908 7.402 1.00 0.00 C ATOM 1768 C LEU A 108 -9.002 -16.119 8.628 1.00 0.00 C ATOM 1769 O LEU A 108 -8.153 -16.581 9.392 1.00 0.00 O ATOM 1770 CB LEU A 108 -10.380 -18.062 7.823 1.00 0.00 C ATOM 1771 CG LEU A 108 -9.824 -18.982 8.914 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -10.404 -18.615 10.273 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -10.111 -20.440 8.582 1.00 0.00 C ATOM 0 H LEU A 108 -8.280 -18.432 6.578 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.020 -16.239 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.324 -17.643 8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.604 -18.665 6.943 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.743 -18.848 8.958 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.996 -19.280 11.034 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.143 -17.585 10.514 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.489 -18.717 10.245 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.708 -21.078 9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.188 -20.591 8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.642 -20.696 7.632 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.566 -14.925 8.799 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.223 -14.055 9.922 1.00 0.00 C ATOM 1787 C GLN A 109 -7.788 -13.536 9.785 1.00 0.00 C ATOM 1788 O GLN A 109 -6.927 -13.815 10.623 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.406 -14.802 11.250 1.00 0.00 C ATOM 1790 CG GLN A 109 -9.833 -13.907 12.404 1.00 0.00 C ATOM 1791 CD GLN A 109 -9.302 -14.388 13.742 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -10.070 -14.646 14.670 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -7.983 -14.510 13.853 1.00 0.00 N ATOM 0 H GLN A 109 -10.268 -14.536 8.169 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.895 -13.197 9.913 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -10.151 -15.586 11.115 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.469 -15.294 11.511 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.481 -12.892 12.221 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.921 -13.865 12.443 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -7.382 -14.286 13.060 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.572 -14.828 14.731 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.545 -12.769 8.719 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.228 -12.200 8.461 1.00 0.00 C ATOM 1804 C GLU A 110 -6.201 -10.723 8.825 1.00 0.00 C ATOM 1805 O GLU A 110 -7.114 -9.970 8.474 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.839 -12.367 6.990 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.405 -11.948 6.688 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.457 -13.129 6.656 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -3.350 -13.777 5.594 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -2.829 -13.413 7.697 1.00 0.00 O ATOM 0 H GLU A 110 -8.249 -12.529 8.021 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.509 -12.736 9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.972 -13.410 6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.518 -11.778 6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.374 -11.433 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.070 -11.236 7.442 1.00 0.00 H new ATOM 1817 N SER A 111 -5.143 -10.323 9.519 1.00 0.00 N ATOM 1818 CA SER A 111 -4.963 -8.939 9.936 1.00 0.00 C ATOM 1819 C SER A 111 -3.535 -8.484 9.647 1.00 0.00 C ATOM 1820 O SER A 111 -2.724 -8.313 10.561 1.00 0.00 O ATOM 1821 CB SER A 111 -5.285 -8.788 11.426 1.00 0.00 C ATOM 1822 OG SER A 111 -5.555 -7.436 11.758 1.00 0.00 O ATOM 0 H SER A 111 -4.389 -10.946 9.807 1.00 0.00 H new ATOM 0 HA SER A 111 -5.649 -8.309 9.370 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.146 -9.406 11.679 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.447 -9.151 12.021 1.00 0.00 H new ATOM 0 HG SER A 111 -6.277 -7.097 11.189 1.00 0.00 H new ATOM 1828 N TYR A 112 -3.234 -8.296 8.365 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.904 -7.868 7.945 1.00 0.00 C ATOM 1830 C TYR A 112 -1.907 -6.390 7.568 1.00 0.00 C ATOM 1831 O TYR A 112 -2.614 -5.971 6.653 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.423 -8.711 6.761 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.601 -9.919 7.158 1.00 0.00 C ATOM 1834 CD1 TYR A 112 -0.946 -10.697 8.258 1.00 0.00 C ATOM 1835 CD2 TYR A 112 0.519 -10.284 6.423 1.00 0.00 C ATOM 1836 CE1 TYR A 112 -0.194 -11.801 8.613 1.00 0.00 C ATOM 1837 CE2 TYR A 112 1.273 -11.385 6.770 1.00 0.00 C ATOM 1838 CZ TYR A 112 0.913 -12.142 7.866 1.00 0.00 C ATOM 1839 OH TYR A 112 1.662 -13.243 8.214 1.00 0.00 O ATOM 0 H TYR A 112 -3.894 -8.433 7.599 1.00 0.00 H new ATOM 0 HA TYR A 112 -1.220 -8.011 8.781 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -2.290 -9.046 6.191 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.829 -8.082 6.098 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -1.815 -10.435 8.844 1.00 0.00 H new ATOM 0 HD2 TYR A 112 0.805 -9.695 5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -0.473 -12.394 9.472 1.00 0.00 H new ATOM 0 HE2 TYR A 112 2.141 -11.654 6.187 1.00 0.00 H new ATOM 0 HH TYR A 112 2.406 -13.345 7.585 1.00 0.00 H new ATOM 1849 N GLU A 113 -1.110 -5.608 8.286 1.00 0.00 N ATOM 1850 CA GLU A 113 -1.016 -4.169 8.038 1.00 0.00 C ATOM 1851 C GLU A 113 0.414 -3.667 8.232 1.00 0.00 C ATOM 1852 O GLU A 113 1.123 -4.112 9.137 1.00 0.00 O ATOM 1853 CB GLU A 113 -1.964 -3.411 8.973 1.00 0.00 C ATOM 1854 CG GLU A 113 -2.322 -2.013 8.483 1.00 0.00 C ATOM 1855 CD GLU A 113 -2.540 -1.017 9.610 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -3.144 -1.395 10.637 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -2.113 0.147 9.460 1.00 0.00 O ATOM 0 H GLU A 113 -0.518 -5.944 9.046 1.00 0.00 H new ATOM 0 HA GLU A 113 -1.305 -3.986 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.880 -3.989 9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.504 -3.334 9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.526 -1.648 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.226 -2.069 7.877 1.00 0.00 H new ATOM 1864 N VAL A 114 0.826 -2.732 7.375 1.00 0.00 N ATOM 1865 CA VAL A 114 2.169 -2.160 7.445 1.00 0.00 C ATOM 1866 C VAL A 114 2.116 -0.636 7.478 1.00 0.00 C ATOM 1867 O VAL A 114 1.264 -0.022 6.834 1.00 0.00 O ATOM 1868 CB VAL A 114 3.042 -2.593 6.246 1.00 0.00 C ATOM 1869 CG1 VAL A 114 4.474 -2.107 6.419 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.002 -4.100 6.073 1.00 0.00 C ATOM 0 H VAL A 114 0.248 -2.355 6.624 1.00 0.00 H new ATOM 0 HA VAL A 114 2.615 -2.536 8.366 1.00 0.00 H new ATOM 0 HB VAL A 114 2.636 -2.135 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.071 -2.423 5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.483 -1.019 6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.894 -2.531 7.331 1.00 0.00 H new ATOM 0 HG21 VAL A 114 3.623 -4.385 5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.379 -4.580 6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 114 1.975 -4.419 5.895 1.00 0.00 H new ATOM 1880 N GLU A 115 3.047 -0.037 8.219 1.00 0.00 N ATOM 1881 CA GLU A 115 3.130 1.414 8.330 1.00 0.00 C ATOM 1882 C GLU A 115 4.588 1.867 8.329 1.00 0.00 C ATOM 1883 O GLU A 115 5.314 1.657 9.303 1.00 0.00 O ATOM 1884 CB GLU A 115 2.426 1.895 9.603 1.00 0.00 C ATOM 1885 CG GLU A 115 1.006 1.366 9.752 1.00 0.00 C ATOM 1886 CD GLU A 115 0.185 2.160 10.749 1.00 0.00 C ATOM 1887 OE1 GLU A 115 -0.458 3.147 10.335 1.00 0.00 O ATOM 1888 OE2 GLU A 115 0.186 1.797 11.943 1.00 0.00 O ATOM 0 H GLU A 115 3.756 -0.539 8.753 1.00 0.00 H new ATOM 0 HA GLU A 115 2.629 1.854 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.012 1.589 10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.401 2.985 9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.511 1.388 8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.043 0.323 10.067 1.00 0.00 H new ATOM 1895 N HIS A 116 5.007 2.487 7.228 1.00 0.00 N ATOM 1896 CA HIS A 116 6.380 2.973 7.090 1.00 0.00 C ATOM 1897 C HIS A 116 6.420 4.499 7.030 1.00 0.00 C ATOM 1898 O HIS A 116 5.579 5.126 6.381 1.00 0.00 O ATOM 1899 CB HIS A 116 7.032 2.386 5.833 1.00 0.00 C ATOM 1900 CG HIS A 116 8.198 1.491 6.124 1.00 0.00 C ATOM 1901 ND1 HIS A 116 9.318 1.430 5.320 1.00 0.00 N ATOM 1902 CD2 HIS A 116 8.418 0.619 7.137 1.00 0.00 C ATOM 1903 CE1 HIS A 116 10.173 0.560 5.827 1.00 0.00 C ATOM 1904 NE2 HIS A 116 9.654 0.055 6.930 1.00 0.00 N ATOM 0 H HIS A 116 4.415 2.665 6.417 1.00 0.00 H new ATOM 0 HA HIS A 116 6.939 2.647 7.968 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.284 1.824 5.275 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.363 3.202 5.190 1.00 0.00 H new ATOM 0 HD2 HIS A 116 7.746 0.406 7.956 1.00 0.00 H new ATOM 0 HE1 HIS A 116 11.135 0.305 5.409 1.00 0.00 H new ATOM 0 HE2 HIS A 116 10.097 -0.640 7.531 1.00 0.00 H new ATOM 1913 N VAL A 117 7.402 5.087 7.714 1.00 0.00 N ATOM 1914 CA VAL A 117 7.561 6.541 7.747 1.00 0.00 C ATOM 1915 C VAL A 117 8.718 6.998 6.860 1.00 0.00 C ATOM 1916 O VAL A 117 9.763 6.346 6.802 1.00 0.00 O ATOM 1917 CB VAL A 117 7.801 7.054 9.185 1.00 0.00 C ATOM 1918 CG1 VAL A 117 6.562 6.835 10.042 1.00 0.00 C ATOM 1919 CG2 VAL A 117 9.019 6.382 9.812 1.00 0.00 C ATOM 0 H VAL A 117 8.101 4.577 8.254 1.00 0.00 H new ATOM 0 HA VAL A 117 6.630 6.961 7.368 1.00 0.00 H new ATOM 0 HB VAL A 117 8.001 8.124 9.134 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.748 7.202 11.051 1.00 0.00 H new ATOM 0 HG12 VAL A 117 5.720 7.375 9.609 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.329 5.771 10.080 1.00 0.00 H new ATOM 0 HG21 VAL A 117 9.164 6.762 10.823 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.861 5.304 9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 117 9.903 6.599 9.213 1.00 0.00 H new ATOM 1929 N ILE A 118 8.520 8.120 6.171 1.00 0.00 N ATOM 1930 CA ILE A 118 9.544 8.674 5.287 1.00 0.00 C ATOM 1931 C ILE A 118 9.628 10.192 5.438 1.00 0.00 C ATOM 1932 O ILE A 118 8.711 10.912 5.048 1.00 0.00 O ATOM 1933 CB ILE A 118 9.262 8.333 3.805 1.00 0.00 C ATOM 1934 CG1 ILE A 118 8.850 6.864 3.651 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.484 8.636 2.949 1.00 0.00 C ATOM 1936 CD1 ILE A 118 8.140 6.570 2.347 1.00 0.00 C ATOM 0 H ILE A 118 7.658 8.664 6.208 1.00 0.00 H new ATOM 0 HA ILE A 118 10.492 8.223 5.579 1.00 0.00 H new ATOM 0 HB ILE A 118 8.435 8.955 3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.738 6.236 3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.199 6.589 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.270 8.391 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.731 9.695 3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.328 8.040 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.878 5.513 2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.233 7.171 2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.797 6.814 1.512 1.00 0.00 H new ATOM 1948 N GLN A 119 10.731 10.675 6.006 1.00 0.00 N ATOM 1949 CA GLN A 119 10.923 12.110 6.202 1.00 0.00 C ATOM 1950 C GLN A 119 12.082 12.618 5.353 1.00 0.00 C ATOM 1951 O GLN A 119 13.221 12.177 5.520 1.00 0.00 O ATOM 1952 CB GLN A 119 11.180 12.419 7.679 1.00 0.00 C ATOM 1953 CG GLN A 119 10.009 12.078 8.587 1.00 0.00 C ATOM 1954 CD GLN A 119 10.405 11.149 9.719 1.00 0.00 C ATOM 1955 OE1 GLN A 119 9.982 9.994 9.765 1.00 0.00 O ATOM 1956 NE2 GLN A 119 11.218 11.650 10.643 1.00 0.00 N ATOM 0 H GLN A 119 11.503 10.096 6.337 1.00 0.00 H new ATOM 0 HA GLN A 119 10.012 12.621 5.889 1.00 0.00 H new ATOM 0 HB2 GLN A 119 12.058 11.865 8.010 1.00 0.00 H new ATOM 0 HB3 GLN A 119 11.414 13.478 7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 119 9.596 12.997 9.003 1.00 0.00 H new ATOM 0 HG3 GLN A 119 9.220 11.612 7.997 1.00 0.00 H new ATOM 0 HE21 GLN A 119 11.545 12.613 10.566 1.00 0.00 H new ATOM 0 HE22 GLN A 119 11.515 11.071 11.429 1.00 0.00 H new ATOM 1965 N ILE A 120 11.790 13.547 4.444 1.00 0.00 N ATOM 1966 CA ILE A 120 12.818 14.111 3.568 1.00 0.00 C ATOM 1967 C ILE A 120 12.865 15.644 3.659 1.00 0.00 C ATOM 1968 O ILE A 120 12.815 16.338 2.640 1.00 0.00 O ATOM 1969 CB ILE A 120 12.599 13.690 2.096 1.00 0.00 C ATOM 1970 CG1 ILE A 120 12.206 12.210 2.010 1.00 0.00 C ATOM 1971 CG2 ILE A 120 13.852 13.958 1.272 1.00 0.00 C ATOM 1972 CD1 ILE A 120 10.785 11.990 1.538 1.00 0.00 C ATOM 0 H ILE A 120 10.854 13.924 4.294 1.00 0.00 H new ATOM 0 HA ILE A 120 13.772 13.712 3.913 1.00 0.00 H new ATOM 0 HB ILE A 120 11.783 14.286 1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.889 11.700 1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 120 12.330 11.752 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 120 13.680 13.656 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 120 14.088 15.022 1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 120 14.686 13.389 1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 120 10.575 10.921 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 120 10.093 12.472 2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 120 10.661 12.419 0.543 1.00 0.00 H new ATOM 1984 N PRO A 121 12.968 16.200 4.882 1.00 0.00 N ATOM 1985 CA PRO A 121 13.026 17.650 5.085 1.00 0.00 C ATOM 1986 C PRO A 121 14.402 18.237 4.755 1.00 0.00 C ATOM 1987 O PRO A 121 14.491 19.276 4.100 1.00 0.00 O ATOM 1988 CB PRO A 121 12.712 17.807 6.570 1.00 0.00 C ATOM 1989 CG PRO A 121 13.201 16.548 7.197 1.00 0.00 C ATOM 1990 CD PRO A 121 13.035 15.465 6.163 1.00 0.00 C ATOM 0 HA PRO A 121 12.336 18.182 4.430 1.00 0.00 H new ATOM 0 HB2 PRO A 121 13.213 18.679 6.990 1.00 0.00 H new ATOM 0 HB3 PRO A 121 11.643 17.943 6.736 1.00 0.00 H new ATOM 0 HG2 PRO A 121 14.245 16.643 7.496 1.00 0.00 H new ATOM 0 HG3 PRO A 121 12.632 16.316 8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 121 13.872 14.766 6.179 1.00 0.00 H new ATOM 0 HD3 PRO A 121 12.130 14.883 6.337 1.00 0.00 H new