USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 410 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 45 THR OG1 : rot -130:sc= 0.0267 USER MOD Set 1.2: A 64 SER OG : rot 140:sc= 0.0283 USER MOD Set 2.1: A 36 HIS : no HE2:sc= -2.42! C(o=-6!,f=-12!) USER MOD Set 2.2: A 46 LYS NZ :NH3+ 157:sc= -0.0365 (180deg=-0.892) USER MOD Set 2.3: A 60 TYR OH : rot 111:sc= -3.56! USER MOD Set 3.1: A 28 MET CE :methyl -155:sc= -0.305 (180deg=-0.501) USER MOD Set 3.2: A 65 MET CE :methyl 176:sc=-0.00611 (180deg=-0.0274) USER MOD Single : A 14 SER OG : rot 32:sc= 0.281 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0136 USER MOD Single : A 18 SER OG : rot 180:sc= -0.639 USER MOD Single : A 20 GLN : amide:sc= -2.29! C(o=-2.3!,f=-8.7!) USER MOD Single : A 23 MET CE :methyl -167:sc= -0.355 (180deg=-0.99) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.000527 X(o=-0.00053,f=-0.25) USER MOD Single : A 42 GLN : amide:sc=-0.000359 X(o=-0.00036,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 150:sc= -0.143 (180deg=-0.826) USER MOD Single : A 72 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.29) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.178 F(o=-0.95,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 14 7.533 -0.609 -7.566 1.00 0.00 N ATOM 24 CA SER A 14 6.125 -1.065 -7.381 1.00 0.00 C ATOM 25 C SER A 14 5.684 -0.739 -5.954 1.00 0.00 C ATOM 26 O SER A 14 6.498 -0.414 -5.111 1.00 0.00 O ATOM 27 CB SER A 14 6.046 -2.574 -7.609 1.00 0.00 C ATOM 28 OG SER A 14 6.682 -2.897 -8.838 1.00 0.00 O ATOM 0 HA SER A 14 5.473 -0.559 -8.094 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.528 -3.103 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.005 -2.896 -7.629 1.00 0.00 H new ATOM 0 HG SER A 14 7.419 -2.272 -8.999 1.00 0.00 H new ATOM 34 N ILE A 15 4.405 -0.818 -5.674 1.00 0.00 N ATOM 35 CA ILE A 15 3.908 -0.508 -4.295 1.00 0.00 C ATOM 36 C ILE A 15 3.346 -1.786 -3.668 1.00 0.00 C ATOM 37 O ILE A 15 2.536 -2.472 -4.258 1.00 0.00 O ATOM 38 CB ILE A 15 2.785 0.534 -4.381 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.283 1.799 -5.101 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.321 0.903 -2.969 1.00 0.00 C ATOM 41 CD1 ILE A 15 4.563 2.335 -4.445 1.00 0.00 C ATOM 0 H ILE A 15 3.682 -1.084 -6.342 1.00 0.00 H new ATOM 0 HA ILE A 15 4.728 -0.121 -3.690 1.00 0.00 H new ATOM 0 HB ILE A 15 1.954 0.110 -4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.474 1.574 -6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.508 2.565 -5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.523 1.643 -3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.951 0.011 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.158 1.317 -2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.895 3.229 -4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.362 2.582 -3.403 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.343 1.575 -4.494 1.00 0.00 H new ATOM 53 N TRP A 16 3.762 -2.106 -2.470 1.00 0.00 N ATOM 54 CA TRP A 16 3.248 -3.334 -1.790 1.00 0.00 C ATOM 55 C TRP A 16 3.103 -3.041 -0.296 1.00 0.00 C ATOM 56 O TRP A 16 4.011 -2.532 0.332 1.00 0.00 O ATOM 57 CB TRP A 16 4.239 -4.487 -1.976 1.00 0.00 C ATOM 58 CG TRP A 16 4.369 -4.827 -3.429 1.00 0.00 C ATOM 59 CD1 TRP A 16 5.245 -4.245 -4.280 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.637 -5.820 -4.211 1.00 0.00 C ATOM 61 NE1 TRP A 16 5.096 -4.811 -5.532 1.00 0.00 N ATOM 62 CE2 TRP A 16 4.119 -5.785 -5.542 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.612 -6.736 -3.904 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.606 -6.628 -6.529 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.095 -7.585 -4.895 1.00 0.00 C ATOM 66 CH2 TRP A 16 2.592 -7.531 -6.205 1.00 0.00 C ATOM 0 H TRP A 16 4.439 -1.567 -1.930 1.00 0.00 H new ATOM 0 HA TRP A 16 2.286 -3.613 -2.220 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.212 -4.209 -1.572 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.900 -5.361 -1.419 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.946 -3.465 -4.023 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.642 -4.541 -6.350 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.221 -6.785 -2.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 3.991 -6.582 -7.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.310 -8.284 -4.647 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.191 -8.188 -6.963 1.00 0.00 H new ATOM 77 N CYS A 17 1.966 -3.351 0.277 1.00 0.00 N ATOM 78 CA CYS A 17 1.746 -3.087 1.736 1.00 0.00 C ATOM 79 C CYS A 17 1.211 -4.349 2.412 1.00 0.00 C ATOM 80 O CYS A 17 0.383 -5.052 1.869 1.00 0.00 O ATOM 81 CB CYS A 17 0.721 -1.961 1.886 1.00 0.00 C ATOM 82 SG CYS A 17 1.392 -0.436 1.182 1.00 0.00 S ATOM 0 H CYS A 17 1.175 -3.778 -0.205 1.00 0.00 H new ATOM 0 HA CYS A 17 2.688 -2.800 2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.207 -2.230 1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.479 -1.813 2.938 1.00 0.00 H new ATOM 0 HG CYS A 17 0.520 0.520 1.308 1.00 0.00 H new ATOM 88 N SER A 18 1.673 -4.640 3.600 1.00 0.00 N ATOM 89 CA SER A 18 1.182 -5.855 4.312 1.00 0.00 C ATOM 90 C SER A 18 -0.219 -5.570 4.882 1.00 0.00 C ATOM 91 O SER A 18 -0.722 -4.468 4.765 1.00 0.00 O ATOM 92 CB SER A 18 2.170 -6.226 5.433 1.00 0.00 C ATOM 93 OG SER A 18 2.463 -7.615 5.353 1.00 0.00 O ATOM 0 H SER A 18 2.367 -4.090 4.106 1.00 0.00 H new ATOM 0 HA SER A 18 1.115 -6.697 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.085 -5.642 5.336 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.741 -5.987 6.406 1.00 0.00 H new ATOM 0 HG SER A 18 3.093 -7.858 6.063 1.00 0.00 H new ATOM 99 N PRO A 19 -0.855 -6.546 5.492 1.00 0.00 N ATOM 100 CA PRO A 19 -2.221 -6.363 6.070 1.00 0.00 C ATOM 101 C PRO A 19 -2.238 -5.375 7.248 1.00 0.00 C ATOM 102 O PRO A 19 -3.225 -4.712 7.494 1.00 0.00 O ATOM 103 CB PRO A 19 -2.636 -7.776 6.541 1.00 0.00 C ATOM 104 CG PRO A 19 -1.640 -8.723 5.938 1.00 0.00 C ATOM 105 CD PRO A 19 -0.361 -7.918 5.700 1.00 0.00 C ATOM 0 HA PRO A 19 -2.904 -5.939 5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.628 -7.842 7.629 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.648 -8.014 6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.450 -9.563 6.606 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.016 -9.138 5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.315 -7.977 6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.188 -8.283 4.832 1.00 0.00 H new ATOM 113 N GLN A 20 -1.164 -5.281 7.985 1.00 0.00 N ATOM 114 CA GLN A 20 -1.146 -4.347 9.144 1.00 0.00 C ATOM 115 C GLN A 20 -1.387 -2.921 8.655 1.00 0.00 C ATOM 116 O GLN A 20 -2.123 -2.165 9.259 1.00 0.00 O ATOM 117 CB GLN A 20 0.215 -4.427 9.835 1.00 0.00 C ATOM 118 CG GLN A 20 0.344 -5.768 10.560 1.00 0.00 C ATOM 119 CD GLN A 20 0.412 -6.900 9.534 1.00 0.00 C ATOM 120 OE1 GLN A 20 1.084 -6.786 8.528 1.00 0.00 O ATOM 121 NE2 GLN A 20 -0.263 -7.997 9.748 1.00 0.00 N ATOM 0 H GLN A 20 -0.304 -5.808 7.835 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.930 -4.624 9.848 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.014 -4.321 9.101 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.323 -3.607 10.545 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.239 -5.772 11.182 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.507 -5.917 11.225 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.827 -8.092 10.593 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.226 -8.759 9.071 1.00 0.00 H new ATOM 130 N GLU A 21 -0.788 -2.549 7.560 1.00 0.00 N ATOM 131 CA GLU A 21 -1.007 -1.174 7.043 1.00 0.00 C ATOM 132 C GLU A 21 -2.455 -1.052 6.579 1.00 0.00 C ATOM 133 O GLU A 21 -3.104 -0.045 6.786 1.00 0.00 O ATOM 134 CB GLU A 21 -0.074 -0.916 5.860 1.00 0.00 C ATOM 135 CG GLU A 21 1.372 -0.813 6.355 1.00 0.00 C ATOM 136 CD GLU A 21 1.541 0.466 7.178 1.00 0.00 C ATOM 137 OE1 GLU A 21 0.749 1.376 6.991 1.00 0.00 O ATOM 138 OE2 GLU A 21 2.458 0.513 7.979 1.00 0.00 O ATOM 0 H GLU A 21 -0.162 -3.133 7.006 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.801 -0.446 7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.163 -1.722 5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.361 0.005 5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.623 -1.684 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.058 -0.806 5.508 1.00 0.00 H new ATOM 145 N ILE A 22 -2.967 -2.074 5.949 1.00 0.00 N ATOM 146 CA ILE A 22 -4.374 -2.019 5.471 1.00 0.00 C ATOM 147 C ILE A 22 -5.338 -2.049 6.658 1.00 0.00 C ATOM 148 O ILE A 22 -6.221 -1.223 6.763 1.00 0.00 O ATOM 149 CB ILE A 22 -4.663 -3.207 4.551 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.769 -3.118 3.308 1.00 0.00 C ATOM 151 CG2 ILE A 22 -6.136 -3.175 4.132 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.864 -4.418 2.500 1.00 0.00 C ATOM 0 H ILE A 22 -2.472 -2.942 5.746 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.516 -1.091 4.918 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.456 -4.139 5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.074 -2.273 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.736 -2.939 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.346 -4.020 3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.768 -3.237 5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.344 -2.245 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.226 -4.346 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.537 -5.255 3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.896 -4.578 2.188 1.00 0.00 H new ATOM 164 N MET A 23 -5.204 -2.998 7.551 1.00 0.00 N ATOM 165 CA MET A 23 -6.149 -3.061 8.701 1.00 0.00 C ATOM 166 C MET A 23 -6.191 -1.715 9.425 1.00 0.00 C ATOM 167 O MET A 23 -7.157 -1.395 10.090 1.00 0.00 O ATOM 168 CB MET A 23 -5.711 -4.148 9.691 1.00 0.00 C ATOM 169 CG MET A 23 -5.930 -5.542 9.086 1.00 0.00 C ATOM 170 SD MET A 23 -5.867 -6.782 10.406 1.00 0.00 S ATOM 171 CE MET A 23 -4.132 -6.569 10.863 1.00 0.00 C ATOM 0 H MET A 23 -4.488 -3.724 7.532 1.00 0.00 H new ATOM 0 HA MET A 23 -7.140 -3.299 8.316 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.659 -4.016 9.944 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.277 -4.054 10.618 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.893 -5.584 8.578 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.165 -5.751 8.338 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.820 -7.395 11.502 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.518 -6.554 9.963 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.010 -5.629 11.401 1.00 0.00 H new ATOM 181 N ALA A 24 -5.168 -0.917 9.305 1.00 0.00 N ATOM 182 CA ALA A 24 -5.183 0.405 9.993 1.00 0.00 C ATOM 183 C ALA A 24 -5.983 1.403 9.150 1.00 0.00 C ATOM 184 O ALA A 24 -6.268 2.504 9.578 1.00 0.00 O ATOM 185 CB ALA A 24 -3.748 0.910 10.160 1.00 0.00 C ATOM 0 H ALA A 24 -4.327 -1.120 8.764 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.646 0.302 10.975 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.759 1.877 10.663 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.178 0.197 10.756 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.283 1.016 9.180 1.00 0.00 H new ATOM 191 N ALA A 25 -6.346 1.027 7.951 1.00 0.00 N ATOM 192 CA ALA A 25 -7.127 1.953 7.077 1.00 0.00 C ATOM 193 C ALA A 25 -8.619 1.853 7.407 1.00 0.00 C ATOM 194 O ALA A 25 -9.195 0.784 7.405 1.00 0.00 O ATOM 195 CB ALA A 25 -6.911 1.573 5.611 1.00 0.00 C ATOM 0 H ALA A 25 -6.135 0.118 7.539 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.788 2.974 7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.481 2.248 4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.851 1.651 5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.247 0.549 5.447 1.00 0.00 H new ATOM 201 N ASP A 26 -9.250 2.962 7.676 1.00 0.00 N ATOM 202 CA ASP A 26 -10.708 2.938 7.988 1.00 0.00 C ATOM 203 C ASP A 26 -11.481 2.379 6.788 1.00 0.00 C ATOM 204 O ASP A 26 -12.464 1.682 6.938 1.00 0.00 O ATOM 205 CB ASP A 26 -11.188 4.359 8.297 1.00 0.00 C ATOM 206 CG ASP A 26 -10.841 5.282 7.126 1.00 0.00 C ATOM 207 OD1 ASP A 26 -9.668 5.386 6.807 1.00 0.00 O ATOM 208 OD2 ASP A 26 -11.753 5.871 6.571 1.00 0.00 O ATOM 0 H ASP A 26 -8.819 3.886 7.693 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.884 2.302 8.856 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.264 4.361 8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.719 4.722 9.211 1.00 0.00 H new ATOM 213 N GLY A 27 -11.045 2.693 5.598 1.00 0.00 N ATOM 214 CA GLY A 27 -11.750 2.196 4.378 1.00 0.00 C ATOM 215 C GLY A 27 -11.813 0.665 4.386 1.00 0.00 C ATOM 216 O GLY A 27 -12.701 0.073 3.805 1.00 0.00 O ATOM 0 H GLY A 27 -10.227 3.275 5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.758 2.608 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.230 2.541 3.484 1.00 0.00 H new ATOM 220 N MET A 28 -10.874 0.020 5.034 1.00 0.00 N ATOM 221 CA MET A 28 -10.857 -1.479 5.084 1.00 0.00 C ATOM 222 C MET A 28 -10.737 -1.932 6.546 1.00 0.00 C ATOM 223 O MET A 28 -9.659 -2.231 7.020 1.00 0.00 O ATOM 224 CB MET A 28 -9.657 -1.994 4.286 1.00 0.00 C ATOM 225 CG MET A 28 -9.794 -1.538 2.831 1.00 0.00 C ATOM 226 SD MET A 28 -8.216 -1.741 1.974 1.00 0.00 S ATOM 227 CE MET A 28 -8.697 -0.918 0.440 1.00 0.00 C ATOM 0 H MET A 28 -10.110 0.471 5.536 1.00 0.00 H new ATOM 0 HA MET A 28 -11.777 -1.876 4.654 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.729 -1.614 4.714 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.610 -3.082 4.337 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.568 -2.119 2.330 1.00 0.00 H new ATOM 0 HG3 MET A 28 -10.106 -0.494 2.795 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.082 -1.288 -0.380 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.746 -1.126 0.229 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.554 0.158 0.544 1.00 0.00 H new ATOM 237 N PRO A 29 -11.836 -1.956 7.264 1.00 0.00 N ATOM 238 CA PRO A 29 -11.857 -2.348 8.706 1.00 0.00 C ATOM 239 C PRO A 29 -11.909 -3.864 8.912 1.00 0.00 C ATOM 240 O PRO A 29 -12.037 -4.626 7.974 1.00 0.00 O ATOM 241 CB PRO A 29 -13.151 -1.710 9.203 1.00 0.00 C ATOM 242 CG PRO A 29 -14.070 -1.822 8.033 1.00 0.00 C ATOM 243 CD PRO A 29 -13.195 -1.619 6.789 1.00 0.00 C ATOM 0 HA PRO A 29 -10.957 -2.026 9.229 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.546 -2.232 10.075 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.999 -0.671 9.495 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.558 -2.796 8.012 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.859 -1.071 8.083 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.506 -2.267 5.970 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.249 -0.594 6.423 1.00 0.00 H new ATOM 251 N GLY A 30 -11.807 -4.302 10.140 1.00 0.00 N ATOM 252 CA GLY A 30 -11.843 -5.763 10.429 1.00 0.00 C ATOM 253 C GLY A 30 -10.411 -6.272 10.542 1.00 0.00 C ATOM 254 O GLY A 30 -9.479 -5.622 10.113 1.00 0.00 O ATOM 0 H GLY A 30 -11.700 -3.704 10.960 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.386 -5.952 11.355 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.371 -6.293 9.636 1.00 0.00 H new ATOM 258 N SER A 31 -10.220 -7.421 11.120 1.00 0.00 N ATOM 259 CA SER A 31 -8.844 -7.953 11.264 1.00 0.00 C ATOM 260 C SER A 31 -8.326 -8.366 9.891 1.00 0.00 C ATOM 261 O SER A 31 -8.888 -8.016 8.872 1.00 0.00 O ATOM 262 CB SER A 31 -8.859 -9.170 12.189 1.00 0.00 C ATOM 263 OG SER A 31 -9.646 -10.197 11.598 1.00 0.00 O ATOM 0 H SER A 31 -10.959 -8.014 11.499 1.00 0.00 H new ATOM 0 HA SER A 31 -8.196 -7.186 11.689 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.843 -9.526 12.358 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.267 -8.897 13.162 1.00 0.00 H new ATOM 0 HG SER A 31 -9.657 -10.980 12.187 1.00 0.00 H new ATOM 269 N VAL A 32 -7.244 -9.081 9.853 1.00 0.00 N ATOM 270 CA VAL A 32 -6.674 -9.484 8.545 1.00 0.00 C ATOM 271 C VAL A 32 -7.727 -10.245 7.735 1.00 0.00 C ATOM 272 O VAL A 32 -7.934 -9.969 6.569 1.00 0.00 O ATOM 273 CB VAL A 32 -5.450 -10.362 8.792 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.860 -10.790 7.455 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.411 -9.555 9.574 1.00 0.00 C ATOM 0 H VAL A 32 -6.729 -9.404 10.672 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.376 -8.602 7.978 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.735 -11.247 9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.985 -11.417 7.627 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.605 -11.352 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.567 -9.907 6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.532 -10.173 9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.123 -8.676 8.997 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.837 -9.240 10.527 1.00 0.00 H new ATOM 285 N ALA A 33 -8.401 -11.195 8.325 1.00 0.00 N ATOM 286 CA ALA A 33 -9.436 -11.946 7.559 1.00 0.00 C ATOM 287 C ALA A 33 -10.512 -10.971 7.062 1.00 0.00 C ATOM 288 O ALA A 33 -11.001 -11.084 5.958 1.00 0.00 O ATOM 289 CB ALA A 33 -10.081 -12.998 8.464 1.00 0.00 C ATOM 0 H ALA A 33 -8.281 -11.482 9.296 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.969 -12.439 6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.838 -13.546 7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.318 -13.691 8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.548 -12.507 9.318 1.00 0.00 H new ATOM 295 N GLY A 34 -10.889 -10.013 7.867 1.00 0.00 N ATOM 296 CA GLY A 34 -11.934 -9.043 7.424 1.00 0.00 C ATOM 297 C GLY A 34 -11.472 -8.364 6.133 1.00 0.00 C ATOM 298 O GLY A 34 -12.228 -8.212 5.190 1.00 0.00 O ATOM 0 H GLY A 34 -10.522 -9.860 8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.880 -9.559 7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.108 -8.297 8.200 1.00 0.00 H new ATOM 302 N VAL A 35 -10.228 -7.977 6.073 1.00 0.00 N ATOM 303 CA VAL A 35 -9.708 -7.332 4.837 1.00 0.00 C ATOM 304 C VAL A 35 -9.830 -8.336 3.685 1.00 0.00 C ATOM 305 O VAL A 35 -10.178 -7.992 2.573 1.00 0.00 O ATOM 306 CB VAL A 35 -8.233 -6.964 5.047 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.589 -6.582 3.710 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.142 -5.778 6.012 1.00 0.00 C ATOM 0 H VAL A 35 -9.549 -8.080 6.827 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.274 -6.429 4.607 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.706 -7.823 5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.543 -6.323 3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.652 -7.425 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.113 -5.726 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.096 -5.513 6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.675 -4.925 5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.590 -6.051 6.967 1.00 0.00 H new ATOM 318 N HIS A 36 -9.541 -9.578 3.959 1.00 0.00 N ATOM 319 CA HIS A 36 -9.630 -10.631 2.909 1.00 0.00 C ATOM 320 C HIS A 36 -11.083 -10.792 2.455 1.00 0.00 C ATOM 321 O HIS A 36 -11.350 -11.139 1.322 1.00 0.00 O ATOM 322 CB HIS A 36 -9.128 -11.962 3.481 1.00 0.00 C ATOM 323 CG HIS A 36 -7.625 -11.956 3.540 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.913 -11.150 4.412 1.00 0.00 N ATOM 325 CD2 HIS A 36 -6.691 -12.662 2.833 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.605 -11.391 4.205 1.00 0.00 C ATOM 327 NE2 HIS A 36 -5.415 -12.306 3.252 1.00 0.00 N ATOM 0 H HIS A 36 -9.244 -9.912 4.876 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.017 -10.340 2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.540 -12.118 4.478 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.474 -12.789 2.860 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.307 -10.494 5.087 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.912 -13.388 2.064 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.806 -10.903 4.744 1.00 0.00 H new ATOM 335 N TYR A 37 -12.024 -10.563 3.329 1.00 0.00 N ATOM 336 CA TYR A 37 -13.446 -10.733 2.930 1.00 0.00 C ATOM 337 C TYR A 37 -13.755 -9.787 1.771 1.00 0.00 C ATOM 338 O TYR A 37 -14.327 -10.183 0.774 1.00 0.00 O ATOM 339 CB TYR A 37 -14.360 -10.409 4.115 1.00 0.00 C ATOM 340 CG TYR A 37 -15.801 -10.585 3.700 1.00 0.00 C ATOM 341 CD1 TYR A 37 -16.424 -11.829 3.858 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.513 -9.509 3.157 1.00 0.00 C ATOM 343 CE1 TYR A 37 -17.759 -11.997 3.473 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.848 -9.677 2.772 1.00 0.00 C ATOM 345 CZ TYR A 37 -18.472 -10.922 2.930 1.00 0.00 C ATOM 346 OH TYR A 37 -19.788 -11.089 2.550 1.00 0.00 O ATOM 0 H TYR A 37 -11.871 -10.268 4.293 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.618 -11.764 2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.130 -11.064 4.956 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.189 -9.386 4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.874 -12.659 4.277 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.032 -8.550 3.035 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.239 -12.957 3.595 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.398 -8.847 2.353 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.135 -10.245 2.194 1.00 0.00 H new ATOM 356 N ARG A 38 -13.374 -8.544 1.876 1.00 0.00 N ATOM 357 CA ARG A 38 -13.647 -7.601 0.755 1.00 0.00 C ATOM 358 C ARG A 38 -12.891 -8.071 -0.493 1.00 0.00 C ATOM 359 O ARG A 38 -13.415 -8.066 -1.589 1.00 0.00 O ATOM 360 CB ARG A 38 -13.187 -6.193 1.140 1.00 0.00 C ATOM 361 CG ARG A 38 -13.625 -5.205 0.058 1.00 0.00 C ATOM 362 CD ARG A 38 -13.268 -3.780 0.483 1.00 0.00 C ATOM 363 NE ARG A 38 -14.167 -3.362 1.597 1.00 0.00 N ATOM 364 CZ ARG A 38 -13.899 -2.286 2.286 1.00 0.00 C ATOM 365 NH1 ARG A 38 -12.853 -1.566 1.989 1.00 0.00 N ATOM 366 NH2 ARG A 38 -14.681 -1.929 3.267 1.00 0.00 N ATOM 0 H ARG A 38 -12.891 -8.143 2.680 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.717 -7.580 0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.613 -5.909 2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.103 -6.170 1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.137 -5.446 -0.886 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -14.699 -5.286 -0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.227 -3.733 0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.374 -3.098 -0.361 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.993 -3.918 1.821 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.245 -1.844 1.219 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.643 -0.725 2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.501 -2.490 3.495 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.472 -1.088 3.806 1.00 0.00 H new ATOM 380 N ALA A 39 -11.659 -8.477 -0.330 1.00 0.00 N ATOM 381 CA ALA A 39 -10.856 -8.946 -1.497 1.00 0.00 C ATOM 382 C ALA A 39 -11.338 -10.330 -1.945 1.00 0.00 C ATOM 383 O ALA A 39 -10.798 -10.917 -2.861 1.00 0.00 O ATOM 384 CB ALA A 39 -9.380 -9.031 -1.098 1.00 0.00 C ATOM 0 H ALA A 39 -11.172 -8.504 0.566 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.978 -8.240 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.792 -9.374 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.030 -8.047 -0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.266 -9.734 -0.272 1.00 0.00 H new ATOM 390 N ASN A 40 -12.357 -10.849 -1.318 1.00 0.00 N ATOM 391 CA ASN A 40 -12.877 -12.185 -1.727 1.00 0.00 C ATOM 392 C ASN A 40 -13.648 -12.052 -3.045 1.00 0.00 C ATOM 393 O ASN A 40 -13.513 -12.858 -3.944 1.00 0.00 O ATOM 394 CB ASN A 40 -13.808 -12.725 -0.639 1.00 0.00 C ATOM 395 CG ASN A 40 -14.143 -14.188 -0.935 1.00 0.00 C ATOM 396 OD1 ASN A 40 -13.259 -14.998 -1.134 1.00 0.00 O ATOM 397 ND2 ASN A 40 -15.392 -14.564 -0.970 1.00 0.00 N ATOM 0 H ASN A 40 -12.851 -10.408 -0.542 1.00 0.00 H new ATOM 0 HA ASN A 40 -12.043 -12.874 -1.864 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -13.331 -12.640 0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -14.722 -12.132 -0.600 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -15.626 -15.538 -1.164 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -16.134 -13.884 -0.803 1.00 0.00 H new ATOM 404 N VAL A 41 -14.462 -11.037 -3.155 1.00 0.00 N ATOM 405 CA VAL A 41 -15.254 -10.841 -4.403 1.00 0.00 C ATOM 406 C VAL A 41 -14.319 -10.430 -5.549 1.00 0.00 C ATOM 407 O VAL A 41 -14.465 -10.874 -6.671 1.00 0.00 O ATOM 408 CB VAL A 41 -16.306 -9.749 -4.167 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.963 -9.354 -5.493 1.00 0.00 C ATOM 410 CG2 VAL A 41 -17.378 -10.281 -3.211 1.00 0.00 C ATOM 0 H VAL A 41 -14.613 -10.333 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.753 -11.772 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.821 -8.873 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.708 -8.579 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -16.203 -8.976 -6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.446 -10.226 -5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.128 -9.509 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.854 -11.158 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.916 -10.555 -2.262 1.00 0.00 H new ATOM 420 N GLN A 42 -13.365 -9.576 -5.279 1.00 0.00 N ATOM 421 CA GLN A 42 -12.423 -9.122 -6.350 1.00 0.00 C ATOM 422 C GLN A 42 -11.140 -9.956 -6.314 1.00 0.00 C ATOM 423 O GLN A 42 -10.806 -10.563 -5.316 1.00 0.00 O ATOM 424 CB GLN A 42 -12.075 -7.650 -6.126 1.00 0.00 C ATOM 425 CG GLN A 42 -13.302 -6.787 -6.425 1.00 0.00 C ATOM 426 CD GLN A 42 -12.983 -5.325 -6.110 1.00 0.00 C ATOM 427 OE1 GLN A 42 -12.764 -4.533 -7.004 1.00 0.00 O ATOM 428 NE2 GLN A 42 -12.942 -4.934 -4.866 1.00 0.00 N ATOM 0 H GLN A 42 -13.196 -9.171 -4.358 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.902 -9.248 -7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.749 -7.494 -5.098 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.246 -7.359 -6.771 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.587 -6.891 -7.472 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.150 -7.122 -5.829 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.126 -5.600 -4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.726 -3.962 -4.644 1.00 0.00 H new ATOM 437 N GLY A 43 -10.411 -9.978 -7.402 1.00 0.00 N ATOM 438 CA GLY A 43 -9.137 -10.757 -7.454 1.00 0.00 C ATOM 439 C GLY A 43 -7.970 -9.816 -7.158 1.00 0.00 C ATOM 440 O GLY A 43 -7.187 -9.483 -8.025 1.00 0.00 O ATOM 0 H GLY A 43 -10.647 -9.485 -8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.161 -11.568 -6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.014 -11.213 -8.436 1.00 0.00 H new ATOM 444 N TRP A 44 -7.858 -9.381 -5.937 1.00 0.00 N ATOM 445 CA TRP A 44 -6.753 -8.450 -5.564 1.00 0.00 C ATOM 446 C TRP A 44 -5.401 -9.070 -5.927 1.00 0.00 C ATOM 447 O TRP A 44 -5.239 -10.273 -5.945 1.00 0.00 O ATOM 448 CB TRP A 44 -6.783 -8.204 -4.049 1.00 0.00 C ATOM 449 CG TRP A 44 -7.868 -7.241 -3.692 1.00 0.00 C ATOM 450 CD1 TRP A 44 -9.036 -7.085 -4.357 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.896 -6.295 -2.587 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.782 -6.107 -3.721 1.00 0.00 N ATOM 453 CE2 TRP A 44 -9.120 -5.590 -2.626 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.984 -5.988 -1.563 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.428 -4.612 -1.679 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.286 -5.008 -0.611 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.508 -4.319 -0.667 1.00 0.00 C ATOM 0 H TRP A 44 -8.487 -9.630 -5.174 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.886 -7.512 -6.104 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.940 -9.147 -3.525 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.820 -7.813 -3.720 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.337 -7.633 -5.238 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.708 -5.805 -4.025 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.042 -6.513 -1.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.370 -4.085 -1.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.576 -4.781 0.170 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.737 -3.564 0.070 1.00 0.00 H new ATOM 468 N THR A 45 -4.425 -8.245 -6.188 1.00 0.00 N ATOM 469 CA THR A 45 -3.069 -8.764 -6.516 1.00 0.00 C ATOM 470 C THR A 45 -2.409 -9.205 -5.205 1.00 0.00 C ATOM 471 O THR A 45 -2.345 -8.451 -4.253 1.00 0.00 O ATOM 472 CB THR A 45 -2.262 -7.639 -7.185 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.610 -7.571 -8.560 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.753 -7.890 -7.053 1.00 0.00 C ATOM 0 H THR A 45 -4.510 -7.229 -6.188 1.00 0.00 H new ATOM 0 HA THR A 45 -3.117 -9.611 -7.201 1.00 0.00 H new ATOM 0 HB THR A 45 -2.498 -6.698 -6.688 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.795 -7.564 -9.104 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.206 -7.080 -7.535 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.482 -7.934 -5.998 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.498 -8.835 -7.533 1.00 0.00 H new ATOM 482 N LYS A 46 -1.941 -10.428 -5.141 1.00 0.00 N ATOM 483 CA LYS A 46 -1.313 -10.935 -3.878 1.00 0.00 C ATOM 484 C LYS A 46 -0.002 -11.653 -4.187 1.00 0.00 C ATOM 485 O LYS A 46 0.174 -12.233 -5.240 1.00 0.00 O ATOM 486 CB LYS A 46 -2.267 -11.939 -3.226 1.00 0.00 C ATOM 487 CG LYS A 46 -3.498 -11.213 -2.681 1.00 0.00 C ATOM 488 CD LYS A 46 -4.615 -12.230 -2.412 1.00 0.00 C ATOM 489 CE LYS A 46 -4.156 -13.244 -1.360 1.00 0.00 C ATOM 490 NZ LYS A 46 -3.487 -12.535 -0.234 1.00 0.00 N ATOM 0 H LYS A 46 -1.966 -11.099 -5.909 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.117 -10.092 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.571 -12.690 -3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.758 -12.465 -2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.244 -10.684 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.838 -10.464 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.512 -11.715 -2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.879 -12.745 -3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.011 -13.809 -0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.470 -13.962 -1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.526 -13.126 0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.494 -12.350 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.973 -11.633 -0.054 1.00 0.00 H new ATOM 504 N ARG A 47 0.914 -11.639 -3.253 1.00 0.00 N ATOM 505 CA ARG A 47 2.217 -12.342 -3.453 1.00 0.00 C ATOM 506 C ARG A 47 2.616 -13.015 -2.141 1.00 0.00 C ATOM 507 O ARG A 47 2.458 -12.456 -1.073 1.00 0.00 O ATOM 508 CB ARG A 47 3.303 -11.340 -3.865 1.00 0.00 C ATOM 509 CG ARG A 47 3.338 -10.170 -2.877 1.00 0.00 C ATOM 510 CD ARG A 47 4.455 -9.202 -3.271 1.00 0.00 C ATOM 511 NE ARG A 47 5.767 -9.908 -3.190 1.00 0.00 N ATOM 512 CZ ARG A 47 6.835 -9.368 -3.711 1.00 0.00 C ATOM 513 NH1 ARG A 47 6.763 -8.197 -4.281 1.00 0.00 N ATOM 514 NH2 ARG A 47 7.977 -9.997 -3.652 1.00 0.00 N ATOM 0 H ARG A 47 0.814 -11.167 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 47 2.111 -13.086 -4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.274 -11.834 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.106 -10.971 -4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.378 -9.653 -2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.503 -10.540 -1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.290 -8.830 -4.282 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.453 -8.336 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 47 5.829 -10.814 -2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.872 -7.703 -4.320 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.598 -7.776 -4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.034 -10.909 -3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.813 -9.576 -4.059 1.00 0.00 H new ATOM 678 N VAL A 58 1.728 -12.239 3.415 1.00 0.00 N ATOM 679 CA VAL A 58 1.140 -11.860 2.090 1.00 0.00 C ATOM 680 C VAL A 58 1.055 -10.337 1.969 1.00 0.00 C ATOM 681 O VAL A 58 0.842 -9.638 2.940 1.00 0.00 O ATOM 682 CB VAL A 58 -0.266 -12.452 1.992 1.00 0.00 C ATOM 683 CG1 VAL A 58 -0.175 -13.977 1.943 1.00 0.00 C ATOM 684 CG2 VAL A 58 -1.082 -12.037 3.219 1.00 0.00 C ATOM 0 HA VAL A 58 1.771 -12.244 1.288 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.750 -12.084 1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.177 -14.399 1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.407 -14.279 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.310 -14.342 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.085 -12.459 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.595 -12.406 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.148 -10.950 3.261 1.00 0.00 H new ATOM 694 N GLU A 59 1.218 -9.823 0.773 1.00 0.00 N ATOM 695 CA GLU A 59 1.149 -8.340 0.553 1.00 0.00 C ATOM 696 C GLU A 59 0.165 -8.047 -0.581 1.00 0.00 C ATOM 697 O GLU A 59 -0.126 -8.904 -1.395 1.00 0.00 O ATOM 698 CB GLU A 59 2.532 -7.815 0.160 1.00 0.00 C ATOM 699 CG GLU A 59 3.501 -7.988 1.330 1.00 0.00 C ATOM 700 CD GLU A 59 4.880 -7.460 0.927 1.00 0.00 C ATOM 701 OE1 GLU A 59 5.062 -7.174 -0.246 1.00 0.00 O ATOM 702 OE2 GLU A 59 5.729 -7.347 1.796 1.00 0.00 O ATOM 0 H GLU A 59 1.398 -10.371 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 59 0.819 -7.852 1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.901 -8.353 -0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.467 -6.763 -0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.134 -7.450 2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.569 -9.040 1.609 1.00 0.00 H new ATOM 709 N TYR A 60 -0.358 -6.842 -0.631 1.00 0.00 N ATOM 710 CA TYR A 60 -1.342 -6.470 -1.699 1.00 0.00 C ATOM 711 C TYR A 60 -0.801 -5.290 -2.509 1.00 0.00 C ATOM 712 O TYR A 60 -0.205 -4.379 -1.969 1.00 0.00 O ATOM 713 CB TYR A 60 -2.649 -6.041 -1.037 1.00 0.00 C ATOM 714 CG TYR A 60 -3.227 -7.195 -0.259 1.00 0.00 C ATOM 715 CD1 TYR A 60 -4.074 -8.110 -0.893 1.00 0.00 C ATOM 716 CD2 TYR A 60 -2.920 -7.347 1.098 1.00 0.00 C ATOM 717 CE1 TYR A 60 -4.616 -9.176 -0.169 1.00 0.00 C ATOM 718 CE2 TYR A 60 -3.465 -8.413 1.822 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.313 -9.328 1.189 1.00 0.00 C ATOM 720 OH TYR A 60 -4.853 -10.377 1.902 1.00 0.00 O ATOM 0 H TYR A 60 -0.142 -6.095 0.029 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.506 -7.325 -2.355 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.471 -5.195 -0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.359 -5.708 -1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.309 -7.993 -1.941 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.263 -6.642 1.586 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.269 -9.883 -0.658 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.231 -8.529 2.870 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.145 -11.015 2.132 1.00 0.00 H new ATOM 730 N ASP A 61 -1.013 -5.285 -3.802 1.00 0.00 N ATOM 731 CA ASP A 61 -0.520 -4.145 -4.641 1.00 0.00 C ATOM 732 C ASP A 61 -1.654 -3.134 -4.835 1.00 0.00 C ATOM 733 O ASP A 61 -2.642 -3.411 -5.485 1.00 0.00 O ATOM 734 CB ASP A 61 -0.064 -4.664 -6.006 1.00 0.00 C ATOM 735 CG ASP A 61 0.585 -3.526 -6.795 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.337 -2.380 -6.457 1.00 0.00 O ATOM 737 OD2 ASP A 61 1.318 -3.820 -7.725 1.00 0.00 O ATOM 0 H ASP A 61 -1.505 -6.018 -4.313 1.00 0.00 H new ATOM 0 HA ASP A 61 0.321 -3.665 -4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.645 -5.482 -5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.915 -5.064 -6.558 1.00 0.00 H new ATOM 742 N VAL A 62 -1.518 -1.961 -4.277 1.00 0.00 N ATOM 743 CA VAL A 62 -2.577 -0.920 -4.421 1.00 0.00 C ATOM 744 C VAL A 62 -2.681 -0.476 -5.883 1.00 0.00 C ATOM 745 O VAL A 62 -3.674 0.081 -6.306 1.00 0.00 O ATOM 746 CB VAL A 62 -2.206 0.280 -3.547 1.00 0.00 C ATOM 747 CG1 VAL A 62 -3.346 1.302 -3.545 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.954 -0.199 -2.116 1.00 0.00 C ATOM 0 H VAL A 62 -0.711 -1.677 -3.722 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.538 -1.329 -4.109 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.307 0.750 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.072 2.152 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.529 1.645 -4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.250 0.838 -3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.689 0.652 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.856 -0.670 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.137 -0.920 -2.112 1.00 0.00 H new ATOM 758 N MET A 63 -1.656 -0.702 -6.654 1.00 0.00 N ATOM 759 CA MET A 63 -1.684 -0.272 -8.080 1.00 0.00 C ATOM 760 C MET A 63 -2.637 -1.169 -8.877 1.00 0.00 C ATOM 761 O MET A 63 -2.839 -0.972 -10.059 1.00 0.00 O ATOM 762 CB MET A 63 -0.266 -0.372 -8.656 1.00 0.00 C ATOM 763 CG MET A 63 0.668 0.540 -7.855 1.00 0.00 C ATOM 764 SD MET A 63 0.294 2.274 -8.220 1.00 0.00 S ATOM 765 CE MET A 63 1.411 2.453 -9.634 1.00 0.00 C ATOM 0 H MET A 63 -0.798 -1.167 -6.358 1.00 0.00 H new ATOM 0 HA MET A 63 -2.036 0.757 -8.147 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.086 -1.403 -8.611 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.266 -0.081 -9.706 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.550 0.350 -6.788 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.706 0.322 -8.105 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.342 3.468 -10.026 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.435 2.256 -9.316 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.130 1.744 -10.412 1.00 0.00 H new ATOM 775 N SER A 64 -3.230 -2.149 -8.236 1.00 0.00 N ATOM 776 CA SER A 64 -4.185 -3.065 -8.944 1.00 0.00 C ATOM 777 C SER A 64 -5.607 -2.835 -8.418 1.00 0.00 C ATOM 778 O SER A 64 -6.578 -3.192 -9.055 1.00 0.00 O ATOM 779 CB SER A 64 -3.781 -4.517 -8.681 1.00 0.00 C ATOM 780 OG SER A 64 -2.583 -4.806 -9.391 1.00 0.00 O ATOM 0 H SER A 64 -3.093 -2.356 -7.247 1.00 0.00 H new ATOM 0 HA SER A 64 -4.156 -2.860 -10.014 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.633 -4.678 -7.613 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.577 -5.191 -8.997 1.00 0.00 H new ATOM 0 HG SER A 64 -1.997 -5.358 -8.833 1.00 0.00 H new ATOM 786 N MET A 65 -5.740 -2.241 -7.260 1.00 0.00 N ATOM 787 CA MET A 65 -7.100 -1.986 -6.697 1.00 0.00 C ATOM 788 C MET A 65 -7.710 -0.734 -7.350 1.00 0.00 C ATOM 789 O MET A 65 -6.990 0.160 -7.750 1.00 0.00 O ATOM 790 CB MET A 65 -6.984 -1.763 -5.186 1.00 0.00 C ATOM 791 CG MET A 65 -6.438 -3.026 -4.513 1.00 0.00 C ATOM 792 SD MET A 65 -6.905 -3.019 -2.767 1.00 0.00 S ATOM 793 CE MET A 65 -5.583 -1.932 -2.183 1.00 0.00 C ATOM 0 H MET A 65 -4.965 -1.921 -6.679 1.00 0.00 H new ATOM 0 HA MET A 65 -7.741 -2.844 -6.898 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.325 -0.919 -4.984 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.960 -1.512 -4.771 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.835 -3.915 -5.004 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.353 -3.065 -4.611 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.721 -1.730 -1.121 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.619 -2.416 -2.339 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.612 -0.994 -2.737 1.00 0.00 H new ATOM 803 N PRO A 66 -9.022 -0.643 -7.448 1.00 0.00 N ATOM 804 CA PRO A 66 -9.683 0.552 -8.048 1.00 0.00 C ATOM 805 C PRO A 66 -9.065 1.862 -7.532 1.00 0.00 C ATOM 806 O PRO A 66 -8.244 1.860 -6.638 1.00 0.00 O ATOM 807 CB PRO A 66 -11.146 0.428 -7.602 1.00 0.00 C ATOM 808 CG PRO A 66 -11.373 -1.039 -7.397 1.00 0.00 C ATOM 809 CD PRO A 66 -10.014 -1.650 -7.011 1.00 0.00 C ATOM 0 HA PRO A 66 -9.569 0.584 -9.132 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.326 0.986 -6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.823 0.829 -8.356 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.110 -1.210 -6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.760 -1.501 -8.305 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.950 -1.832 -5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.853 -2.607 -7.507 1.00 0.00 H new ATOM 817 N THR A 67 -9.451 2.973 -8.094 1.00 0.00 N ATOM 818 CA THR A 67 -8.886 4.280 -7.647 1.00 0.00 C ATOM 819 C THR A 67 -9.441 4.665 -6.268 1.00 0.00 C ATOM 820 O THR A 67 -8.796 5.354 -5.503 1.00 0.00 O ATOM 821 CB THR A 67 -9.255 5.369 -8.660 1.00 0.00 C ATOM 822 OG1 THR A 67 -8.876 6.637 -8.145 1.00 0.00 O ATOM 823 CG2 THR A 67 -10.765 5.352 -8.911 1.00 0.00 C ATOM 0 H THR A 67 -10.136 3.034 -8.847 1.00 0.00 H new ATOM 0 HA THR A 67 -7.802 4.185 -7.578 1.00 0.00 H new ATOM 0 HB THR A 67 -8.733 5.182 -9.598 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.109 7.336 -8.791 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.023 6.128 -9.632 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.057 4.379 -9.305 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.292 5.537 -7.975 1.00 0.00 H new ATOM 831 N LYS A 68 -10.641 4.253 -5.957 1.00 0.00 N ATOM 832 CA LYS A 68 -11.246 4.627 -4.643 1.00 0.00 C ATOM 833 C LYS A 68 -10.387 4.109 -3.481 1.00 0.00 C ATOM 834 O LYS A 68 -10.079 4.835 -2.557 1.00 0.00 O ATOM 835 CB LYS A 68 -12.644 4.010 -4.550 1.00 0.00 C ATOM 836 CG LYS A 68 -13.590 4.721 -5.529 1.00 0.00 C ATOM 837 CD LYS A 68 -14.816 3.843 -5.804 1.00 0.00 C ATOM 838 CE LYS A 68 -15.605 3.627 -4.510 1.00 0.00 C ATOM 839 NZ LYS A 68 -15.887 4.944 -3.874 1.00 0.00 N ATOM 0 H LYS A 68 -11.230 3.673 -6.555 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.302 5.713 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.598 2.946 -4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.024 4.099 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.904 5.679 -5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.068 4.934 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.452 4.316 -6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.502 2.883 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.539 3.107 -4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.037 2.995 -3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.780 4.889 -3.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.113 5.189 -3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.965 5.675 -4.610 1.00 0.00 H new ATOM 853 N GLU A 69 -9.996 2.869 -3.514 1.00 0.00 N ATOM 854 CA GLU A 69 -9.155 2.329 -2.406 1.00 0.00 C ATOM 855 C GLU A 69 -7.785 3.006 -2.426 1.00 0.00 C ATOM 856 O GLU A 69 -7.176 3.233 -1.399 1.00 0.00 O ATOM 857 CB GLU A 69 -8.978 0.818 -2.575 1.00 0.00 C ATOM 858 CG GLU A 69 -10.286 0.101 -2.231 1.00 0.00 C ATOM 859 CD GLU A 69 -11.333 0.401 -3.302 1.00 0.00 C ATOM 860 OE1 GLU A 69 -10.946 0.814 -4.379 1.00 0.00 O ATOM 861 OE2 GLU A 69 -12.507 0.218 -3.022 1.00 0.00 O ATOM 0 H GLU A 69 -10.219 2.205 -4.256 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.648 2.529 -1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.686 0.589 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.176 0.462 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.117 -0.974 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.646 0.428 -1.255 1.00 0.00 H new ATOM 868 N ARG A 70 -7.286 3.306 -3.589 1.00 0.00 N ATOM 869 CA ARG A 70 -5.944 3.941 -3.686 1.00 0.00 C ATOM 870 C ARG A 70 -5.927 5.280 -2.937 1.00 0.00 C ATOM 871 O ARG A 70 -5.047 5.534 -2.143 1.00 0.00 O ATOM 872 CB ARG A 70 -5.618 4.177 -5.165 1.00 0.00 C ATOM 873 CG ARG A 70 -4.227 4.801 -5.308 1.00 0.00 C ATOM 874 CD ARG A 70 -3.924 5.029 -6.789 1.00 0.00 C ATOM 875 NE ARG A 70 -4.815 6.099 -7.320 1.00 0.00 N ATOM 876 CZ ARG A 70 -4.529 6.688 -8.448 1.00 0.00 C ATOM 877 NH1 ARG A 70 -3.455 6.352 -9.107 1.00 0.00 N ATOM 878 NH2 ARG A 70 -5.319 7.617 -8.916 1.00 0.00 N ATOM 0 H ARG A 70 -7.751 3.138 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.201 3.284 -3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.659 3.233 -5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.366 4.833 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.183 5.746 -4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.475 4.146 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.880 5.314 -6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.074 4.105 -7.348 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.650 6.371 -6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.837 5.628 -8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.233 6.813 -9.989 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.158 7.881 -8.399 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.097 8.079 -9.798 1.00 0.00 H new ATOM 892 N GLU A 71 -6.877 6.144 -3.179 1.00 0.00 N ATOM 893 CA GLU A 71 -6.865 7.463 -2.472 1.00 0.00 C ATOM 894 C GLU A 71 -6.982 7.262 -0.957 1.00 0.00 C ATOM 895 O GLU A 71 -6.426 8.015 -0.184 1.00 0.00 O ATOM 896 CB GLU A 71 -8.009 8.349 -2.973 1.00 0.00 C ATOM 897 CG GLU A 71 -9.328 7.578 -2.943 1.00 0.00 C ATOM 898 CD GLU A 71 -10.465 8.508 -3.367 1.00 0.00 C ATOM 899 OE1 GLU A 71 -10.881 9.314 -2.549 1.00 0.00 O ATOM 900 OE2 GLU A 71 -10.899 8.404 -4.502 1.00 0.00 O ATOM 0 H GLU A 71 -7.652 5.999 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.918 7.957 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.087 9.241 -2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.800 8.686 -3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.276 6.719 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.514 7.191 -1.941 1.00 0.00 H new ATOM 907 N GLN A 72 -7.701 6.266 -0.521 1.00 0.00 N ATOM 908 CA GLN A 72 -7.842 6.046 0.948 1.00 0.00 C ATOM 909 C GLN A 72 -6.470 5.750 1.558 1.00 0.00 C ATOM 910 O GLN A 72 -6.180 6.142 2.670 1.00 0.00 O ATOM 911 CB GLN A 72 -8.784 4.867 1.212 1.00 0.00 C ATOM 912 CG GLN A 72 -10.215 5.258 0.840 1.00 0.00 C ATOM 913 CD GLN A 72 -10.734 6.303 1.832 1.00 0.00 C ATOM 914 OE1 GLN A 72 -10.698 6.092 3.028 1.00 0.00 O ATOM 915 NE2 GLN A 72 -11.214 7.430 1.383 1.00 0.00 N ATOM 0 H GLN A 72 -8.195 5.598 -1.113 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.257 6.945 1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.470 4.001 0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.737 4.579 2.262 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.242 5.658 -0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.858 4.378 0.852 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.244 7.607 0.379 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.559 8.134 2.036 1.00 0.00 H new ATOM 924 N VAL A 73 -5.623 5.056 0.847 1.00 0.00 N ATOM 925 CA VAL A 73 -4.277 4.740 1.405 1.00 0.00 C ATOM 926 C VAL A 73 -3.441 6.025 1.490 1.00 0.00 C ATOM 927 O VAL A 73 -2.856 6.323 2.512 1.00 0.00 O ATOM 928 CB VAL A 73 -3.583 3.716 0.498 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.114 3.559 0.904 1.00 0.00 C ATOM 930 CG2 VAL A 73 -4.291 2.366 0.632 1.00 0.00 C ATOM 0 H VAL A 73 -5.803 4.696 -0.090 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.381 4.321 2.406 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.631 4.063 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.632 2.830 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.606 4.519 0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.057 3.217 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.802 1.634 -0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.242 2.030 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.334 2.471 0.334 1.00 0.00 H new ATOM 940 N ILE A 74 -3.384 6.797 0.435 1.00 0.00 N ATOM 941 CA ILE A 74 -2.591 8.061 0.486 1.00 0.00 C ATOM 942 C ILE A 74 -3.163 8.959 1.590 1.00 0.00 C ATOM 943 O ILE A 74 -2.436 9.594 2.327 1.00 0.00 O ATOM 944 CB ILE A 74 -2.654 8.779 -0.883 1.00 0.00 C ATOM 945 CG1 ILE A 74 -1.637 8.152 -1.850 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.329 10.272 -0.729 1.00 0.00 C ATOM 947 CD1 ILE A 74 -2.036 6.711 -2.168 1.00 0.00 C ATOM 0 H ILE A 74 -3.849 6.608 -0.453 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.547 7.837 0.706 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.664 8.668 -1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.589 8.736 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.641 8.173 -1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.379 10.758 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.051 10.734 -0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.326 10.385 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.309 6.275 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.060 6.129 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.023 6.700 -2.630 1.00 0.00 H new ATOM 959 N ALA A 75 -4.460 9.013 1.711 1.00 0.00 N ATOM 960 CA ALA A 75 -5.072 9.869 2.765 1.00 0.00 C ATOM 961 C ALA A 75 -4.588 9.400 4.140 1.00 0.00 C ATOM 962 O ALA A 75 -4.304 10.195 5.017 1.00 0.00 O ATOM 963 CB ALA A 75 -6.599 9.756 2.688 1.00 0.00 C ATOM 0 H ALA A 75 -5.122 8.502 1.127 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.779 10.908 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.049 10.382 3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.939 10.087 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.895 8.719 2.844 1.00 0.00 H new ATOM 969 N HIS A 76 -4.492 8.112 4.334 1.00 0.00 N ATOM 970 CA HIS A 76 -4.029 7.585 5.649 1.00 0.00 C ATOM 971 C HIS A 76 -2.588 8.038 5.902 1.00 0.00 C ATOM 972 O HIS A 76 -2.228 8.399 7.004 1.00 0.00 O ATOM 973 CB HIS A 76 -4.089 6.057 5.641 1.00 0.00 C ATOM 974 CG HIS A 76 -3.701 5.539 6.998 1.00 0.00 C ATOM 975 ND1 HIS A 76 -2.499 5.504 7.658 1.00 0.00 N flip ATOM 976 CD2 HIS A 76 -4.625 4.975 7.863 1.00 0.00 C flip ATOM 977 CE1 HIS A 76 -2.670 4.926 8.912 1.00 0.00 C flip ATOM 978 NE2 HIS A 76 -3.970 4.626 8.985 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.715 7.401 3.637 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.675 7.968 6.439 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.094 5.722 5.385 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.417 5.659 4.881 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.679 4.840 7.671 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.914 4.756 9.665 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.412 4.186 9.792 1.00 0.00 H new ATOM 986 N LEU A 77 -1.759 8.029 4.893 1.00 0.00 N ATOM 987 CA LEU A 77 -0.350 8.471 5.092 1.00 0.00 C ATOM 988 C LEU A 77 -0.347 9.963 5.433 1.00 0.00 C ATOM 989 O LEU A 77 0.465 10.433 6.205 1.00 0.00 O ATOM 990 CB LEU A 77 0.465 8.250 3.812 1.00 0.00 C ATOM 991 CG LEU A 77 0.585 6.752 3.495 1.00 0.00 C ATOM 992 CD1 LEU A 77 1.344 6.581 2.173 1.00 0.00 C ATOM 993 CD2 LEU A 77 1.345 6.026 4.624 1.00 0.00 C ATOM 0 H LEU A 77 -1.995 7.736 3.945 1.00 0.00 H new ATOM 0 HA LEU A 77 0.097 7.892 5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.011 8.766 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.459 8.683 3.929 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.413 6.321 3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.434 5.520 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.800 7.083 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.338 7.018 2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.423 4.965 4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.344 6.450 4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.806 6.149 5.563 1.00 0.00 H new