USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 678 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 71 GLN :FLIP amide:sc= -6.1! C(o=-17!,f=-14!) USER MOD Set 1.2: A 93 GLN :FLIP amide:sc= -8.87! C(o=-14!,f=-14!) USER MOD Set 1.3: A 97 THR OG1 : rot 115:sc= 1.4 USER MOD Set 2.1: A 22 ASN :FLIP amide:sc= -2.13! C(o=-6.8!,f=-4!) USER MOD Set 2.2: A 25 GLN : amide:sc= -1.9! C(o=-4!,f=-6.8!) USER MOD Single : A 6 ASN :FLIP amide:sc= -1.35 F(o=-2.6!,f=-1.4) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.0609 F(o=-2.2!,f=-0.061) USER MOD Single : A 13 ASN : amide:sc= -0.989 K(o=-0.99,f=-8.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.521 USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= 0.393 (180deg=0.0195) USER MOD Single : A 33 MET CE :methyl 160:sc= -0.558 (180deg=-1.25) USER MOD Single : A 41 GLN : amide:sc= -3.86! C(o=-3.9!,f=-3.9!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.39) USER MOD Single : A 77 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.00132) USER MOD Single : A 80 ASN :FLIP amide:sc= -4.83! C(o=-6.9!,f=-4.8!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0182) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.66 F(o=-1.4,f=-0.66) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00276 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -3.06! C(o=-3.1!,f=-3.6!) USER MOD Single : A 103 GLN :FLIP amide:sc= -1.21 F(o=-4.7!,f=-1.2) USER MOD Single : A 104 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0685) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 -11.814 8.519 3.794 1.00 0.00 N ATOM 42 CA GLU A 4 -12.128 7.374 4.694 1.00 0.00 C ATOM 43 C GLU A 4 -12.651 6.187 3.879 1.00 0.00 C ATOM 44 O GLU A 4 -12.584 5.052 4.309 1.00 0.00 O ATOM 45 CB GLU A 4 -13.194 7.812 5.711 1.00 0.00 C ATOM 46 CG GLU A 4 -14.576 7.887 5.034 1.00 0.00 C ATOM 47 CD GLU A 4 -15.499 8.809 5.832 1.00 0.00 C ATOM 48 OE1 GLU A 4 -15.138 9.960 6.019 1.00 0.00 O ATOM 49 OE2 GLU A 4 -16.552 8.350 6.245 1.00 0.00 O ATOM 0 HA GLU A 4 -11.221 7.068 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.226 7.107 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.932 8.784 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.471 8.258 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.012 6.890 4.968 1.00 0.00 H new ATOM 56 N ASP A 5 -13.194 6.431 2.720 1.00 0.00 N ATOM 57 CA ASP A 5 -13.731 5.302 1.911 1.00 0.00 C ATOM 58 C ASP A 5 -12.594 4.544 1.228 1.00 0.00 C ATOM 59 O ASP A 5 -12.574 3.332 1.239 1.00 0.00 O ATOM 60 CB ASP A 5 -14.713 5.836 0.869 1.00 0.00 C ATOM 61 CG ASP A 5 -15.170 4.694 -0.040 1.00 0.00 C ATOM 62 OD1 ASP A 5 -15.098 3.554 0.391 1.00 0.00 O ATOM 63 OD2 ASP A 5 -15.583 4.976 -1.152 1.00 0.00 O ATOM 0 H ASP A 5 -13.289 7.356 2.300 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.253 4.611 2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.573 6.287 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.240 6.619 0.276 1.00 0.00 H new ATOM 68 N ASN A 6 -11.633 5.220 0.639 1.00 0.00 N ATOM 69 CA ASN A 6 -10.519 4.471 -0.008 1.00 0.00 C ATOM 70 C ASN A 6 -9.999 3.492 1.052 1.00 0.00 C ATOM 71 O ASN A 6 -9.691 2.349 0.781 1.00 0.00 O ATOM 72 CB ASN A 6 -9.428 5.469 -0.474 1.00 0.00 C ATOM 73 CG ASN A 6 -8.026 4.905 -0.241 1.00 0.00 C ATOM 74 OD1 ASN A 6 -7.559 4.873 0.969 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 -7.357 4.493 -1.169 1.00 0.00 N flip ATOM 0 H ASN A 6 -11.576 6.237 0.581 1.00 0.00 H new ATOM 0 HA ASN A 6 -10.837 3.924 -0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.562 5.690 -1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -9.538 6.410 0.065 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.730 4.521 -2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.423 4.120 -0.998 1.00 0.00 H new ATOM 82 N TRP A 7 -9.962 3.951 2.273 1.00 0.00 N ATOM 83 CA TRP A 7 -9.536 3.088 3.402 1.00 0.00 C ATOM 84 C TRP A 7 -10.497 1.892 3.484 1.00 0.00 C ATOM 85 O TRP A 7 -10.109 0.789 3.815 1.00 0.00 O ATOM 86 CB TRP A 7 -9.622 3.912 4.706 1.00 0.00 C ATOM 87 CG TRP A 7 -8.281 4.473 5.066 1.00 0.00 C ATOM 88 CD1 TRP A 7 -7.592 5.338 4.299 1.00 0.00 C ATOM 89 CD2 TRP A 7 -7.465 4.239 6.255 1.00 0.00 C ATOM 90 NE1 TRP A 7 -6.405 5.652 4.928 1.00 0.00 N ATOM 91 CE2 TRP A 7 -6.280 5.003 6.138 1.00 0.00 C ATOM 92 CE3 TRP A 7 -7.632 3.452 7.408 1.00 0.00 C ATOM 93 CZ2 TRP A 7 -5.295 4.988 7.126 1.00 0.00 C ATOM 94 CZ3 TRP A 7 -6.641 3.432 8.406 1.00 0.00 C ATOM 95 CH2 TRP A 7 -5.475 4.201 8.265 1.00 0.00 C ATOM 0 H TRP A 7 -10.214 4.904 2.536 1.00 0.00 H new ATOM 0 HA TRP A 7 -8.515 2.733 3.258 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.340 4.723 4.583 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.988 3.282 5.517 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -7.916 5.724 3.344 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -5.705 6.287 4.545 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.527 2.859 7.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -4.400 5.581 7.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.778 2.821 9.286 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.719 4.184 9.036 1.00 0.00 H new ATOM 106 N GLU A 8 -11.755 2.119 3.200 1.00 0.00 N ATOM 107 CA GLU A 8 -12.754 1.014 3.275 1.00 0.00 C ATOM 108 C GLU A 8 -12.329 -0.098 2.324 1.00 0.00 C ATOM 109 O GLU A 8 -12.246 -1.249 2.699 1.00 0.00 O ATOM 110 CB GLU A 8 -14.135 1.532 2.881 1.00 0.00 C ATOM 111 CG GLU A 8 -15.187 0.469 3.202 1.00 0.00 C ATOM 112 CD GLU A 8 -16.563 0.955 2.744 1.00 0.00 C ATOM 113 OE1 GLU A 8 -17.122 1.809 3.412 1.00 0.00 O ATOM 114 OE2 GLU A 8 -17.035 0.465 1.730 1.00 0.00 O ATOM 0 H GLU A 8 -12.132 3.024 2.919 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.802 0.631 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.357 2.453 3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.156 1.771 1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.936 -0.467 2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.199 0.267 4.273 1.00 0.00 H new ATOM 121 N THR A 9 -12.029 0.233 1.099 1.00 0.00 N ATOM 122 CA THR A 9 -11.574 -0.818 0.148 1.00 0.00 C ATOM 123 C THR A 9 -10.406 -1.551 0.800 1.00 0.00 C ATOM 124 O THR A 9 -10.395 -2.759 0.933 1.00 0.00 O ATOM 125 CB THR A 9 -11.104 -0.159 -1.156 1.00 0.00 C ATOM 126 OG1 THR A 9 -12.034 0.845 -1.536 1.00 0.00 O ATOM 127 CG2 THR A 9 -11.015 -1.215 -2.259 1.00 0.00 C ATOM 0 H THR A 9 -12.079 1.178 0.718 1.00 0.00 H new ATOM 0 HA THR A 9 -12.384 -1.510 -0.081 1.00 0.00 H new ATOM 0 HB THR A 9 -10.122 0.290 -1.005 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.736 1.269 -2.368 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.681 -0.747 -3.185 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.304 -1.988 -1.966 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.996 -1.664 -2.413 1.00 0.00 H new ATOM 135 N LEU A 10 -9.435 -0.801 1.229 1.00 0.00 N ATOM 136 CA LEU A 10 -8.255 -1.386 1.898 1.00 0.00 C ATOM 137 C LEU A 10 -8.693 -2.088 3.187 1.00 0.00 C ATOM 138 O LEU A 10 -8.049 -2.990 3.662 1.00 0.00 O ATOM 139 CB LEU A 10 -7.300 -0.236 2.233 1.00 0.00 C ATOM 140 CG LEU A 10 -6.341 0.024 1.051 1.00 0.00 C ATOM 141 CD1 LEU A 10 -5.949 1.498 1.019 1.00 0.00 C ATOM 142 CD2 LEU A 10 -5.079 -0.821 1.219 1.00 0.00 C ATOM 0 H LEU A 10 -9.413 0.215 1.140 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.766 -2.116 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.870 0.667 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.728 -0.478 3.128 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.844 -0.242 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.272 1.676 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.843 2.110 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.451 1.762 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.403 -0.636 0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.584 -0.554 2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.348 -1.877 1.241 1.00 0.00 H new ATOM 154 N ASN A 11 -9.770 -1.665 3.771 1.00 0.00 N ATOM 155 CA ASN A 11 -10.214 -2.309 5.034 1.00 0.00 C ATOM 156 C ASN A 11 -10.585 -3.766 4.773 1.00 0.00 C ATOM 157 O ASN A 11 -9.946 -4.684 5.245 1.00 0.00 O ATOM 158 CB ASN A 11 -11.444 -1.581 5.562 1.00 0.00 C ATOM 159 CG ASN A 11 -11.687 -1.983 7.021 1.00 0.00 C ATOM 160 OD1 ASN A 11 -10.850 -2.797 7.613 1.00 0.00 O flip ATOM 161 ND2 ASN A 11 -12.647 -1.551 7.629 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.361 -0.906 3.433 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.404 -2.262 5.761 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.301 -0.503 5.489 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.315 -1.829 4.955 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.299 -0.917 7.168 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.800 -1.823 8.600 1.00 0.00 H new ATOM 168 N ASP A 12 -11.634 -3.969 4.030 1.00 0.00 N ATOM 169 CA ASP A 12 -12.085 -5.349 3.732 1.00 0.00 C ATOM 170 C ASP A 12 -10.930 -6.153 3.169 1.00 0.00 C ATOM 171 O ASP A 12 -10.971 -7.366 3.133 1.00 0.00 O ATOM 172 CB ASP A 12 -13.178 -5.305 2.677 1.00 0.00 C ATOM 173 CG ASP A 12 -14.457 -4.721 3.278 1.00 0.00 C ATOM 174 OD1 ASP A 12 -14.368 -4.107 4.329 1.00 0.00 O ATOM 175 OD2 ASP A 12 -15.504 -4.896 2.677 1.00 0.00 O ATOM 0 H ASP A 12 -12.201 -3.230 3.614 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.454 -5.805 4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.854 -4.700 1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.369 -6.308 2.297 1.00 0.00 H new ATOM 180 N ASN A 13 -9.900 -5.506 2.707 1.00 0.00 N ATOM 181 CA ASN A 13 -8.784 -6.298 2.138 1.00 0.00 C ATOM 182 C ASN A 13 -8.132 -7.092 3.276 1.00 0.00 C ATOM 183 O ASN A 13 -8.095 -8.304 3.248 1.00 0.00 O ATOM 184 CB ASN A 13 -7.757 -5.382 1.447 1.00 0.00 C ATOM 185 CG ASN A 13 -8.143 -5.177 -0.024 1.00 0.00 C ATOM 186 OD1 ASN A 13 -7.626 -5.843 -0.898 1.00 0.00 O ATOM 187 ND2 ASN A 13 -9.040 -4.283 -0.332 1.00 0.00 N ATOM 0 H ASN A 13 -9.784 -4.493 2.698 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.164 -6.983 1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.714 -4.420 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.762 -5.823 1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.307 -4.143 -1.306 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.475 -3.723 0.401 1.00 0.00 H new ATOM 194 N LEU A 14 -7.644 -6.425 4.290 1.00 0.00 N ATOM 195 CA LEU A 14 -7.025 -7.159 5.434 1.00 0.00 C ATOM 196 C LEU A 14 -8.054 -8.130 6.014 1.00 0.00 C ATOM 197 O LEU A 14 -7.730 -9.204 6.475 1.00 0.00 O ATOM 198 CB LEU A 14 -6.638 -6.174 6.546 1.00 0.00 C ATOM 199 CG LEU A 14 -5.373 -5.373 6.181 1.00 0.00 C ATOM 200 CD1 LEU A 14 -4.154 -6.298 6.063 1.00 0.00 C ATOM 201 CD2 LEU A 14 -5.593 -4.633 4.859 1.00 0.00 C ATOM 0 H LEU A 14 -7.647 -5.409 4.375 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.141 -7.686 5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.464 -5.487 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.468 -6.720 7.474 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.181 -4.652 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.274 -5.709 5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.987 -6.802 7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.335 -7.040 5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.696 -4.068 4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.804 -5.354 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.436 -3.949 4.961 1.00 0.00 H new ATOM 213 N LYS A 15 -9.288 -7.732 6.016 1.00 0.00 N ATOM 214 CA LYS A 15 -10.363 -8.582 6.593 1.00 0.00 C ATOM 215 C LYS A 15 -10.332 -9.986 5.988 1.00 0.00 C ATOM 216 O LYS A 15 -10.343 -10.972 6.695 1.00 0.00 O ATOM 217 CB LYS A 15 -11.706 -7.920 6.269 1.00 0.00 C ATOM 218 CG LYS A 15 -12.845 -8.598 7.036 1.00 0.00 C ATOM 219 CD LYS A 15 -14.191 -8.273 6.358 1.00 0.00 C ATOM 220 CE LYS A 15 -14.386 -9.125 5.091 1.00 0.00 C ATOM 221 NZ LYS A 15 -15.844 -9.262 4.812 1.00 0.00 N ATOM 0 H LYS A 15 -9.606 -6.840 5.637 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.219 -8.675 7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.667 -6.862 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.897 -7.980 5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.689 -9.677 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.855 -8.255 8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.008 -8.458 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.226 -7.215 6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.884 -8.658 4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.936 -10.108 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.981 -9.837 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.310 -9.725 5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.260 -8.320 4.666 1.00 0.00 H new ATOM 235 N VAL A 16 -10.318 -10.098 4.695 1.00 0.00 N ATOM 236 CA VAL A 16 -10.321 -11.439 4.077 1.00 0.00 C ATOM 237 C VAL A 16 -9.016 -12.188 4.384 1.00 0.00 C ATOM 238 O VAL A 16 -9.058 -13.296 4.856 1.00 0.00 O ATOM 239 CB VAL A 16 -10.555 -11.269 2.563 1.00 0.00 C ATOM 240 CG1 VAL A 16 -9.908 -12.409 1.775 1.00 0.00 C ATOM 241 CG2 VAL A 16 -12.060 -11.268 2.284 1.00 0.00 C ATOM 0 H VAL A 16 -10.305 -9.316 4.041 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.123 -12.047 4.494 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.105 -10.327 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.089 -12.264 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.834 -12.418 1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.339 -13.359 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.232 -11.148 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.492 -12.211 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.529 -10.444 2.821 1.00 0.00 H new ATOM 251 N ILE A 17 -7.862 -11.631 4.115 1.00 0.00 N ATOM 252 CA ILE A 17 -6.611 -12.403 4.406 1.00 0.00 C ATOM 253 C ILE A 17 -6.682 -12.927 5.840 1.00 0.00 C ATOM 254 O ILE A 17 -6.513 -14.105 6.088 1.00 0.00 O ATOM 255 CB ILE A 17 -5.353 -11.519 4.217 1.00 0.00 C ATOM 256 CG1 ILE A 17 -5.705 -10.330 3.314 1.00 0.00 C ATOM 257 CG2 ILE A 17 -4.240 -12.344 3.560 1.00 0.00 C ATOM 258 CD1 ILE A 17 -4.432 -9.631 2.826 1.00 0.00 C ATOM 0 H ILE A 17 -7.730 -10.701 3.717 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.533 -13.237 3.708 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.011 -11.158 5.187 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.288 -10.675 2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.328 -9.623 3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.355 -11.721 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.993 -13.194 4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.579 -12.704 2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.701 -8.790 2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.865 -9.268 3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.823 -10.337 2.260 1.00 0.00 H new ATOM 270 N GLU A 18 -6.955 -12.073 6.784 1.00 0.00 N ATOM 271 CA GLU A 18 -7.057 -12.552 8.181 1.00 0.00 C ATOM 272 C GLU A 18 -8.126 -13.652 8.236 1.00 0.00 C ATOM 273 O GLU A 18 -8.167 -14.441 9.159 1.00 0.00 O ATOM 274 CB GLU A 18 -7.464 -11.394 9.111 1.00 0.00 C ATOM 275 CG GLU A 18 -6.350 -10.315 9.170 1.00 0.00 C ATOM 276 CD GLU A 18 -6.286 -9.698 10.573 1.00 0.00 C ATOM 277 OE1 GLU A 18 -7.297 -9.180 11.019 1.00 0.00 O ATOM 278 OE2 GLU A 18 -5.226 -9.755 11.176 1.00 0.00 O ATOM 0 H GLU A 18 -7.110 -11.074 6.648 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.093 -12.940 8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.392 -10.946 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.658 -11.777 10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.388 -10.760 8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.546 -9.538 8.431 1.00 0.00 H new ATOM 285 N LYS A 19 -9.009 -13.694 7.254 1.00 0.00 N ATOM 286 CA LYS A 19 -10.101 -14.724 7.240 1.00 0.00 C ATOM 287 C LYS A 19 -10.144 -15.440 5.879 1.00 0.00 C ATOM 288 O LYS A 19 -11.193 -15.843 5.416 1.00 0.00 O ATOM 289 CB LYS A 19 -11.437 -14.004 7.476 1.00 0.00 C ATOM 290 CG LYS A 19 -11.455 -13.372 8.887 1.00 0.00 C ATOM 291 CD LYS A 19 -12.345 -12.113 8.919 1.00 0.00 C ATOM 292 CE LYS A 19 -13.669 -12.361 8.178 1.00 0.00 C ATOM 293 NZ LYS A 19 -14.731 -11.497 8.767 1.00 0.00 N ATOM 0 H LYS A 19 -9.016 -13.054 6.460 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.918 -15.466 8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.582 -13.232 6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.262 -14.709 7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.823 -14.100 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.440 -13.111 9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.549 -11.832 9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.817 -11.277 8.460 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.552 -12.141 7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.952 -13.411 8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.629 -11.662 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.847 -11.728 9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.459 -10.498 8.670 1.00 0.00 H new ATOM 307 N ALA A 20 -9.018 -15.589 5.225 1.00 0.00 N ATOM 308 CA ALA A 20 -9.006 -16.264 3.888 1.00 0.00 C ATOM 309 C ALA A 20 -9.450 -17.722 4.015 1.00 0.00 C ATOM 310 O ALA A 20 -9.919 -18.312 3.066 1.00 0.00 O ATOM 311 CB ALA A 20 -7.596 -16.217 3.297 1.00 0.00 C ATOM 0 H ALA A 20 -8.107 -15.273 5.558 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.700 -15.739 3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.593 -16.709 2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.285 -15.179 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.904 -16.729 3.965 1.00 0.00 H new ATOM 317 N ASP A 21 -9.283 -18.309 5.167 1.00 0.00 N ATOM 318 CA ASP A 21 -9.670 -19.737 5.355 1.00 0.00 C ATOM 319 C ASP A 21 -8.716 -20.639 4.562 1.00 0.00 C ATOM 320 O ASP A 21 -8.425 -21.751 4.958 1.00 0.00 O ATOM 321 CB ASP A 21 -11.113 -19.951 4.871 1.00 0.00 C ATOM 322 CG ASP A 21 -11.958 -18.725 5.223 1.00 0.00 C ATOM 323 OD1 ASP A 21 -12.199 -18.514 6.400 1.00 0.00 O ATOM 324 OD2 ASP A 21 -12.352 -18.018 4.310 1.00 0.00 O ATOM 0 H ASP A 21 -8.892 -17.858 5.994 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.607 -19.991 6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.125 -20.117 3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.535 -20.842 5.336 1.00 0.00 H new ATOM 329 N ASN A 22 -8.219 -20.168 3.449 1.00 0.00 N ATOM 330 CA ASN A 22 -7.274 -20.996 2.636 1.00 0.00 C ATOM 331 C ASN A 22 -6.345 -20.083 1.832 1.00 0.00 C ATOM 332 O ASN A 22 -6.698 -18.976 1.479 1.00 0.00 O ATOM 333 CB ASN A 22 -8.062 -21.888 1.670 1.00 0.00 C ATOM 334 CG ASN A 22 -9.271 -22.482 2.390 1.00 0.00 C ATOM 335 OD1 ASN A 22 -10.412 -21.856 2.335 1.00 0.00 O flip ATOM 336 ND2 ASN A 22 -9.177 -23.524 3.008 1.00 0.00 N flip ATOM 0 H ASN A 22 -8.425 -19.246 3.066 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.683 -21.619 3.308 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.389 -21.307 0.808 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.423 -22.686 1.293 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.283 -24.013 3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.992 -23.910 3.485 1.00 0.00 H new ATOM 343 N ALA A 23 -5.162 -20.546 1.528 1.00 0.00 N ATOM 344 CA ALA A 23 -4.215 -19.714 0.735 1.00 0.00 C ATOM 345 C ALA A 23 -4.915 -19.222 -0.532 1.00 0.00 C ATOM 346 O ALA A 23 -4.476 -18.295 -1.179 1.00 0.00 O ATOM 347 CB ALA A 23 -2.998 -20.558 0.342 1.00 0.00 C ATOM 0 H ALA A 23 -4.811 -21.466 1.796 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.891 -18.862 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.305 -19.949 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.499 -20.918 1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.323 -21.408 -0.257 1.00 0.00 H new ATOM 353 N ALA A 24 -5.996 -19.849 -0.901 1.00 0.00 N ATOM 354 CA ALA A 24 -6.718 -19.430 -2.133 1.00 0.00 C ATOM 355 C ALA A 24 -7.314 -18.031 -1.952 1.00 0.00 C ATOM 356 O ALA A 24 -7.019 -17.122 -2.704 1.00 0.00 O ATOM 357 CB ALA A 24 -7.841 -20.427 -2.426 1.00 0.00 C ATOM 0 H ALA A 24 -6.411 -20.635 -0.401 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.014 -19.408 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.372 -20.123 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.417 -21.420 -2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.536 -20.449 -1.586 1.00 0.00 H new ATOM 363 N GLN A 25 -8.164 -17.844 -0.975 1.00 0.00 N ATOM 364 CA GLN A 25 -8.778 -16.500 -0.788 1.00 0.00 C ATOM 365 C GLN A 25 -7.716 -15.478 -0.372 1.00 0.00 C ATOM 366 O GLN A 25 -7.961 -14.288 -0.373 1.00 0.00 O ATOM 367 CB GLN A 25 -9.856 -16.563 0.293 1.00 0.00 C ATOM 368 CG GLN A 25 -11.098 -17.363 -0.202 1.00 0.00 C ATOM 369 CD GLN A 25 -11.265 -18.655 0.610 1.00 0.00 C ATOM 370 OE1 GLN A 25 -11.822 -18.640 1.690 1.00 0.00 O ATOM 371 NE2 GLN A 25 -10.802 -19.777 0.130 1.00 0.00 N ATOM 0 H GLN A 25 -8.456 -18.557 -0.306 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.222 -16.193 -1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.450 -17.032 1.189 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.157 -15.553 0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.994 -16.749 -0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.985 -17.603 -1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.335 -19.790 -0.776 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.908 -20.641 0.661 1.00 0.00 H new ATOM 380 N VAL A 26 -6.542 -15.918 -0.022 1.00 0.00 N ATOM 381 CA VAL A 26 -5.492 -14.953 0.382 1.00 0.00 C ATOM 382 C VAL A 26 -5.049 -14.176 -0.863 1.00 0.00 C ATOM 383 O VAL A 26 -5.152 -12.967 -0.925 1.00 0.00 O ATOM 384 CB VAL A 26 -4.299 -15.733 0.986 1.00 0.00 C ATOM 385 CG1 VAL A 26 -3.010 -14.908 0.900 1.00 0.00 C ATOM 386 CG2 VAL A 26 -4.572 -16.089 2.459 1.00 0.00 C ATOM 0 H VAL A 26 -6.267 -16.900 0.001 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.870 -14.256 1.130 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.178 -16.650 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.185 -15.476 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.791 -14.684 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.136 -13.977 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.721 -16.637 2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.721 -15.174 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.467 -16.708 2.524 1.00 0.00 H new ATOM 396 N LYS A 27 -4.542 -14.865 -1.845 1.00 0.00 N ATOM 397 CA LYS A 27 -4.073 -14.169 -3.077 1.00 0.00 C ATOM 398 C LYS A 27 -5.225 -13.376 -3.706 1.00 0.00 C ATOM 399 O LYS A 27 -5.013 -12.363 -4.343 1.00 0.00 O ATOM 400 CB LYS A 27 -3.509 -15.187 -4.083 1.00 0.00 C ATOM 401 CG LYS A 27 -4.327 -16.479 -4.031 1.00 0.00 C ATOM 402 CD LYS A 27 -3.877 -17.435 -5.147 1.00 0.00 C ATOM 403 CE LYS A 27 -4.506 -17.037 -6.490 1.00 0.00 C ATOM 404 NZ LYS A 27 -4.344 -18.156 -7.459 1.00 0.00 N ATOM 0 H LYS A 27 -4.431 -15.879 -1.849 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.278 -13.474 -2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.536 -14.770 -5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.465 -15.398 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.203 -16.958 -3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.387 -16.252 -4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.790 -17.419 -5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.162 -18.456 -4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.563 -16.807 -6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.030 -16.135 -6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.769 -17.890 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.332 -18.355 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.818 -19.005 -7.091 1.00 0.00 H new ATOM 418 N ASP A 28 -6.440 -13.814 -3.528 1.00 0.00 N ATOM 419 CA ASP A 28 -7.589 -13.070 -4.110 1.00 0.00 C ATOM 420 C ASP A 28 -7.620 -11.673 -3.504 1.00 0.00 C ATOM 421 O ASP A 28 -7.509 -10.690 -4.198 1.00 0.00 O ATOM 422 CB ASP A 28 -8.888 -13.835 -3.777 1.00 0.00 C ATOM 423 CG ASP A 28 -9.838 -13.840 -4.982 1.00 0.00 C ATOM 424 OD1 ASP A 28 -9.839 -12.865 -5.714 1.00 0.00 O ATOM 425 OD2 ASP A 28 -10.546 -14.821 -5.147 1.00 0.00 O ATOM 0 H ASP A 28 -6.686 -14.654 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.493 -12.985 -5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.650 -14.859 -3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.380 -13.372 -2.922 1.00 0.00 H new ATOM 430 N ALA A 29 -7.768 -11.589 -2.216 1.00 0.00 N ATOM 431 CA ALA A 29 -7.825 -10.254 -1.554 1.00 0.00 C ATOM 432 C ALA A 29 -6.632 -9.389 -1.985 1.00 0.00 C ATOM 433 O ALA A 29 -6.781 -8.211 -2.244 1.00 0.00 O ATOM 434 CB ALA A 29 -7.807 -10.446 -0.029 1.00 0.00 C ATOM 0 H ALA A 29 -7.853 -12.388 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.743 -9.747 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.848 -9.473 0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.669 -11.041 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.891 -10.960 0.262 1.00 0.00 H new ATOM 440 N LEU A 30 -5.453 -9.942 -2.049 1.00 0.00 N ATOM 441 CA LEU A 30 -4.280 -9.113 -2.445 1.00 0.00 C ATOM 442 C LEU A 30 -4.478 -8.567 -3.862 1.00 0.00 C ATOM 443 O LEU A 30 -4.104 -7.452 -4.161 1.00 0.00 O ATOM 444 CB LEU A 30 -2.993 -9.948 -2.359 1.00 0.00 C ATOM 445 CG LEU A 30 -2.594 -10.121 -0.874 1.00 0.00 C ATOM 446 CD1 LEU A 30 -1.776 -11.401 -0.687 1.00 0.00 C ATOM 447 CD2 LEU A 30 -1.749 -8.923 -0.411 1.00 0.00 C ATOM 0 H LEU A 30 -5.251 -10.921 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.190 -8.270 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.147 -10.923 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.190 -9.457 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.507 -10.181 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.503 -11.508 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.370 -12.261 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.872 -11.347 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.474 -9.055 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.846 -8.858 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.327 -8.006 -0.521 1.00 0.00 H new ATOM 459 N THR A 31 -5.078 -9.323 -4.735 1.00 0.00 N ATOM 460 CA THR A 31 -5.308 -8.813 -6.107 1.00 0.00 C ATOM 461 C THR A 31 -6.248 -7.601 -6.016 1.00 0.00 C ATOM 462 O THR A 31 -6.188 -6.682 -6.814 1.00 0.00 O ATOM 463 CB THR A 31 -5.938 -9.928 -6.950 1.00 0.00 C ATOM 464 OG1 THR A 31 -4.942 -10.884 -7.279 1.00 0.00 O ATOM 465 CG2 THR A 31 -6.524 -9.347 -8.233 1.00 0.00 C ATOM 0 H THR A 31 -5.417 -10.268 -4.557 1.00 0.00 H new ATOM 0 HA THR A 31 -4.373 -8.508 -6.576 1.00 0.00 H new ATOM 0 HB THR A 31 -6.735 -10.403 -6.378 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.341 -11.600 -7.817 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.969 -10.147 -8.825 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.289 -8.612 -7.983 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.733 -8.866 -8.809 1.00 0.00 H new ATOM 473 N LYS A 32 -7.103 -7.582 -5.031 1.00 0.00 N ATOM 474 CA LYS A 32 -8.022 -6.423 -4.872 1.00 0.00 C ATOM 475 C LYS A 32 -7.190 -5.256 -4.353 1.00 0.00 C ATOM 476 O LYS A 32 -7.358 -4.124 -4.761 1.00 0.00 O ATOM 477 CB LYS A 32 -9.177 -6.749 -3.894 1.00 0.00 C ATOM 478 CG LYS A 32 -9.592 -8.230 -4.005 1.00 0.00 C ATOM 479 CD LYS A 32 -10.298 -8.525 -5.357 1.00 0.00 C ATOM 480 CE LYS A 32 -9.855 -9.895 -5.922 1.00 0.00 C ATOM 481 NZ LYS A 32 -10.940 -10.444 -6.784 1.00 0.00 N ATOM 0 H LYS A 32 -7.204 -8.318 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.483 -6.175 -5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.866 -6.530 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.033 -6.110 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.711 -8.864 -3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.260 -8.484 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.379 -8.517 -5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.063 -7.738 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.937 -9.784 -6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.638 -10.585 -5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.916 -11.483 -6.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.862 -10.108 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.801 -10.124 -7.764 1.00 0.00 H new ATOM 495 N MET A 33 -6.265 -5.535 -3.471 1.00 0.00 N ATOM 496 CA MET A 33 -5.394 -4.453 -2.951 1.00 0.00 C ATOM 497 C MET A 33 -4.687 -3.823 -4.146 1.00 0.00 C ATOM 498 O MET A 33 -4.571 -2.630 -4.236 1.00 0.00 O ATOM 499 CB MET A 33 -4.353 -5.044 -1.985 1.00 0.00 C ATOM 500 CG MET A 33 -4.882 -5.085 -0.531 1.00 0.00 C ATOM 501 SD MET A 33 -3.492 -4.868 0.615 1.00 0.00 S ATOM 502 CE MET A 33 -3.687 -6.400 1.555 1.00 0.00 C ATOM 0 H MET A 33 -6.080 -6.464 -3.093 1.00 0.00 H new ATOM 0 HA MET A 33 -5.982 -3.709 -2.413 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.090 -6.052 -2.305 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.441 -4.449 -2.024 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.621 -4.299 -0.378 1.00 0.00 H new ATOM 0 HG3 MET A 33 -5.382 -6.034 -0.340 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.751 -6.638 2.061 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.478 -6.275 2.294 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.949 -7.212 0.877 1.00 0.00 H new ATOM 512 N ARG A 34 -4.224 -4.617 -5.076 1.00 0.00 N ATOM 513 CA ARG A 34 -3.545 -4.040 -6.274 1.00 0.00 C ATOM 514 C ARG A 34 -4.420 -2.908 -6.819 1.00 0.00 C ATOM 515 O ARG A 34 -3.958 -1.828 -7.124 1.00 0.00 O ATOM 516 CB ARG A 34 -3.411 -5.145 -7.344 1.00 0.00 C ATOM 517 CG ARG A 34 -1.946 -5.576 -7.537 1.00 0.00 C ATOM 518 CD ARG A 34 -1.520 -6.507 -6.399 1.00 0.00 C ATOM 519 NE ARG A 34 -1.519 -5.764 -5.106 1.00 0.00 N ATOM 520 CZ ARG A 34 -0.593 -4.878 -4.858 1.00 0.00 C ATOM 521 NH1 ARG A 34 0.306 -4.601 -5.761 1.00 0.00 N ATOM 522 NH2 ARG A 34 -0.573 -4.262 -3.709 1.00 0.00 N ATOM 0 H ARG A 34 -4.286 -5.635 -5.058 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.557 -3.659 -6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.009 -6.008 -7.052 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.812 -4.785 -8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.831 -6.083 -8.495 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.300 -4.698 -7.561 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.200 -7.357 -6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.526 -6.908 -6.599 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.244 -5.949 -4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.286 -5.077 -6.663 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.029 -3.908 -5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.280 -4.473 -3.005 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.150 -3.570 -3.514 1.00 0.00 H new ATOM 536 N ALA A 35 -5.687 -3.165 -6.935 1.00 0.00 N ATOM 537 CA ALA A 35 -6.607 -2.120 -7.449 1.00 0.00 C ATOM 538 C ALA A 35 -6.694 -0.987 -6.423 1.00 0.00 C ATOM 539 O ALA A 35 -6.493 0.169 -6.739 1.00 0.00 O ATOM 540 CB ALA A 35 -7.982 -2.743 -7.676 1.00 0.00 C ATOM 0 H ALA A 35 -6.127 -4.054 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.240 -1.715 -8.392 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.667 -1.984 -8.054 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.900 -3.552 -8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.362 -3.138 -6.734 1.00 0.00 H new ATOM 546 N ALA A 36 -6.982 -1.316 -5.194 1.00 0.00 N ATOM 547 CA ALA A 36 -7.074 -0.272 -4.134 1.00 0.00 C ATOM 548 C ALA A 36 -5.689 0.346 -3.895 1.00 0.00 C ATOM 549 O ALA A 36 -5.565 1.427 -3.354 1.00 0.00 O ATOM 550 CB ALA A 36 -7.565 -0.919 -2.837 1.00 0.00 C ATOM 0 H ALA A 36 -7.159 -2.269 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.769 0.507 -4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.635 -0.162 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.547 -1.363 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.863 -1.694 -2.529 1.00 0.00 H new ATOM 556 N ALA A 37 -4.646 -0.348 -4.274 1.00 0.00 N ATOM 557 CA ALA A 37 -3.267 0.171 -4.051 1.00 0.00 C ATOM 558 C ALA A 37 -3.012 1.418 -4.900 1.00 0.00 C ATOM 559 O ALA A 37 -2.937 2.524 -4.398 1.00 0.00 O ATOM 560 CB ALA A 37 -2.251 -0.916 -4.417 1.00 0.00 C ATOM 0 H ALA A 37 -4.693 -1.258 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.161 0.441 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.241 -0.539 -4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.416 -1.793 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.372 -1.189 -5.465 1.00 0.00 H new ATOM 566 N LEU A 38 -2.851 1.243 -6.181 1.00 0.00 N ATOM 567 CA LEU A 38 -2.566 2.420 -7.050 1.00 0.00 C ATOM 568 C LEU A 38 -3.755 3.382 -7.018 1.00 0.00 C ATOM 569 O LEU A 38 -3.609 4.579 -7.199 1.00 0.00 O ATOM 570 CB LEU A 38 -2.326 1.982 -8.492 1.00 0.00 C ATOM 571 CG LEU A 38 -1.244 0.873 -8.558 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.508 -0.042 -9.760 1.00 0.00 C ATOM 573 CD2 LEU A 38 0.143 1.507 -8.717 1.00 0.00 C ATOM 0 H LEU A 38 -2.904 0.345 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.670 2.914 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.256 1.615 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.013 2.838 -9.089 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.282 0.293 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.744 -0.819 -9.801 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.490 -0.504 -9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.477 0.545 -10.678 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.899 0.723 -8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.172 2.093 -9.636 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.346 2.157 -7.866 1.00 0.00 H new ATOM 585 N ASP A 39 -4.934 2.886 -6.766 1.00 0.00 N ATOM 586 CA ASP A 39 -6.095 3.806 -6.712 1.00 0.00 C ATOM 587 C ASP A 39 -5.800 4.801 -5.607 1.00 0.00 C ATOM 588 O ASP A 39 -6.036 5.987 -5.733 1.00 0.00 O ATOM 589 CB ASP A 39 -7.372 3.028 -6.387 1.00 0.00 C ATOM 590 CG ASP A 39 -8.552 3.997 -6.305 1.00 0.00 C ATOM 591 OD1 ASP A 39 -9.150 4.260 -7.335 1.00 0.00 O ATOM 592 OD2 ASP A 39 -8.838 4.460 -5.212 1.00 0.00 O ATOM 0 H ASP A 39 -5.139 1.901 -6.598 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.247 4.306 -7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.558 2.276 -7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.257 2.498 -5.442 1.00 0.00 H new ATOM 597 N ALA A 40 -5.226 4.329 -4.538 1.00 0.00 N ATOM 598 CA ALA A 40 -4.849 5.248 -3.445 1.00 0.00 C ATOM 599 C ALA A 40 -3.857 6.262 -4.017 1.00 0.00 C ATOM 600 O ALA A 40 -3.831 7.402 -3.610 1.00 0.00 O ATOM 601 CB ALA A 40 -4.207 4.461 -2.302 1.00 0.00 C ATOM 0 H ALA A 40 -5.004 3.346 -4.379 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.727 5.759 -3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.931 5.145 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.916 3.725 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.315 3.952 -2.667 1.00 0.00 H new ATOM 607 N GLN A 41 -3.053 5.859 -4.986 1.00 0.00 N ATOM 608 CA GLN A 41 -2.075 6.817 -5.606 1.00 0.00 C ATOM 609 C GLN A 41 -2.816 8.123 -5.895 1.00 0.00 C ATOM 610 O GLN A 41 -2.295 9.208 -5.730 1.00 0.00 O ATOM 611 CB GLN A 41 -1.536 6.240 -6.939 1.00 0.00 C ATOM 612 CG GLN A 41 -0.219 6.933 -7.335 1.00 0.00 C ATOM 613 CD GLN A 41 -0.434 8.444 -7.423 1.00 0.00 C ATOM 614 OE1 GLN A 41 0.161 9.199 -6.680 1.00 0.00 O ATOM 615 NE2 GLN A 41 -1.269 8.920 -8.307 1.00 0.00 N ATOM 0 H GLN A 41 -3.035 4.914 -5.369 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.237 6.983 -4.929 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.373 5.167 -6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.277 6.377 -7.727 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.555 6.709 -6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.130 6.550 -8.294 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.768 8.286 -8.930 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.422 9.926 -8.374 1.00 0.00 H new ATOM 624 N LYS A 42 -4.034 8.003 -6.339 1.00 0.00 N ATOM 625 CA LYS A 42 -4.853 9.217 -6.667 1.00 0.00 C ATOM 626 C LYS A 42 -5.685 9.653 -5.447 1.00 0.00 C ATOM 627 O LYS A 42 -6.517 10.535 -5.538 1.00 0.00 O ATOM 628 CB LYS A 42 -5.789 8.881 -7.840 1.00 0.00 C ATOM 629 CG LYS A 42 -5.019 8.971 -9.178 1.00 0.00 C ATOM 630 CD LYS A 42 -5.623 7.993 -10.207 1.00 0.00 C ATOM 631 CE LYS A 42 -5.032 6.588 -10.014 1.00 0.00 C ATOM 632 NZ LYS A 42 -5.996 5.571 -10.519 1.00 0.00 N ATOM 0 H LYS A 42 -4.507 7.112 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.189 10.037 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.198 7.878 -7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.633 9.570 -7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.063 9.989 -9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.967 8.737 -9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.707 7.958 -10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.419 8.346 -11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.085 6.504 -10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.821 6.412 -8.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.597 4.620 -10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.889 5.647 -9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.176 5.735 -11.530 1.00 0.00 H new ATOM 646 N ALA A 43 -5.463 9.054 -4.308 1.00 0.00 N ATOM 647 CA ALA A 43 -6.227 9.435 -3.086 1.00 0.00 C ATOM 648 C ALA A 43 -5.488 8.870 -1.878 1.00 0.00 C ATOM 649 O ALA A 43 -5.469 7.673 -1.665 1.00 0.00 O ATOM 650 CB ALA A 43 -7.637 8.848 -3.151 1.00 0.00 C ATOM 0 H ALA A 43 -4.779 8.310 -4.171 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.307 10.519 -3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.190 9.130 -2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.151 9.233 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.576 7.761 -3.213 1.00 0.00 H new ATOM 656 N THR A 44 -4.840 9.710 -1.111 1.00 0.00 N ATOM 657 CA THR A 44 -4.056 9.222 0.054 1.00 0.00 C ATOM 658 C THR A 44 -4.365 10.087 1.288 1.00 0.00 C ATOM 659 O THR A 44 -4.738 11.236 1.153 1.00 0.00 O ATOM 660 CB THR A 44 -2.587 9.350 -0.339 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.306 10.704 -0.669 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.320 8.496 -1.573 1.00 0.00 C ATOM 0 H THR A 44 -4.823 10.721 -1.247 1.00 0.00 H new ATOM 0 HA THR A 44 -4.304 8.191 0.307 1.00 0.00 H new ATOM 0 HB THR A 44 -1.962 9.023 0.492 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.363 10.790 -0.920 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.271 8.585 -1.857 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.549 7.454 -1.351 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.949 8.838 -2.395 1.00 0.00 H new ATOM 916 N PHE A 61 5.278 10.127 -7.076 1.00 0.00 N ATOM 917 CA PHE A 61 4.789 9.696 -5.743 1.00 0.00 C ATOM 918 C PHE A 61 4.472 8.202 -5.852 1.00 0.00 C ATOM 919 O PHE A 61 4.675 7.443 -4.925 1.00 0.00 O ATOM 920 CB PHE A 61 3.547 10.529 -5.381 1.00 0.00 C ATOM 921 CG PHE A 61 3.207 10.452 -3.895 1.00 0.00 C ATOM 922 CD1 PHE A 61 4.177 10.711 -2.907 1.00 0.00 C ATOM 923 CD2 PHE A 61 1.888 10.156 -3.508 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.825 10.663 -1.552 1.00 0.00 C ATOM 925 CE2 PHE A 61 1.543 10.116 -2.155 1.00 0.00 C ATOM 926 CZ PHE A 61 2.510 10.367 -1.177 1.00 0.00 C ATOM 0 HA PHE A 61 5.525 9.851 -4.954 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.717 11.569 -5.658 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.695 10.179 -5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.191 10.946 -3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.138 9.959 -4.260 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.571 10.855 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.528 9.891 -1.864 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.242 10.332 -0.131 1.00 0.00 H new ATOM 936 N ARG A 62 4.033 7.762 -7.014 1.00 0.00 N ATOM 937 CA ARG A 62 3.779 6.308 -7.205 1.00 0.00 C ATOM 938 C ARG A 62 5.066 5.580 -6.855 1.00 0.00 C ATOM 939 O ARG A 62 5.053 4.525 -6.274 1.00 0.00 O ATOM 940 CB ARG A 62 3.412 6.008 -8.669 1.00 0.00 C ATOM 941 CG ARG A 62 2.656 4.674 -8.750 1.00 0.00 C ATOM 942 CD ARG A 62 2.640 4.174 -10.199 1.00 0.00 C ATOM 943 NE ARG A 62 3.915 3.465 -10.498 1.00 0.00 N ATOM 944 CZ ARG A 62 4.044 2.804 -11.616 1.00 0.00 C ATOM 945 NH1 ARG A 62 3.057 2.763 -12.468 1.00 0.00 N ATOM 946 NH2 ARG A 62 5.161 2.182 -11.881 1.00 0.00 N ATOM 0 H ARG A 62 3.844 8.348 -7.827 1.00 0.00 H new ATOM 0 HA ARG A 62 2.950 5.986 -6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.795 6.812 -9.071 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.315 5.963 -9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.133 3.935 -8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.636 4.801 -8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.795 3.503 -10.353 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.510 5.013 -10.882 1.00 0.00 H new ATOM 0 HE ARG A 62 4.686 3.496 -9.831 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.184 3.248 -12.261 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.158 2.246 -13.342 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.932 2.213 -11.214 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.262 1.665 -12.755 1.00 0.00 H new ATOM 960 N HIS A 63 6.187 6.153 -7.203 1.00 0.00 N ATOM 961 CA HIS A 63 7.480 5.497 -6.883 1.00 0.00 C ATOM 962 C HIS A 63 7.491 5.134 -5.400 1.00 0.00 C ATOM 963 O HIS A 63 7.913 4.065 -5.026 1.00 0.00 O ATOM 964 CB HIS A 63 8.636 6.454 -7.191 1.00 0.00 C ATOM 965 CG HIS A 63 9.930 5.684 -7.241 1.00 0.00 C ATOM 966 ND1 HIS A 63 10.068 4.521 -7.983 1.00 0.00 N ATOM 967 CD2 HIS A 63 11.149 5.897 -6.648 1.00 0.00 C ATOM 968 CE1 HIS A 63 11.329 4.083 -7.818 1.00 0.00 C ATOM 969 NE2 HIS A 63 12.031 4.885 -7.014 1.00 0.00 N ATOM 0 H HIS A 63 6.260 7.044 -7.693 1.00 0.00 H new ATOM 0 HA HIS A 63 7.598 4.597 -7.486 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.462 6.955 -8.143 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.692 7.230 -6.428 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.388 6.724 -5.996 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.725 3.191 -8.280 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.005 4.779 -6.729 1.00 0.00 H new ATOM 977 N GLY A 64 7.014 6.014 -4.557 1.00 0.00 N ATOM 978 CA GLY A 64 6.986 5.705 -3.088 1.00 0.00 C ATOM 979 C GLY A 64 5.971 4.583 -2.821 1.00 0.00 C ATOM 980 O GLY A 64 6.235 3.640 -2.095 1.00 0.00 O ATOM 0 H GLY A 64 6.644 6.929 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.977 5.402 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.716 6.597 -2.523 1.00 0.00 H new ATOM 984 N PHE A 65 4.821 4.674 -3.426 1.00 0.00 N ATOM 985 CA PHE A 65 3.773 3.623 -3.253 1.00 0.00 C ATOM 986 C PHE A 65 4.249 2.366 -3.962 1.00 0.00 C ATOM 987 O PHE A 65 4.035 1.256 -3.522 1.00 0.00 O ATOM 988 CB PHE A 65 2.501 4.112 -3.955 1.00 0.00 C ATOM 989 CG PHE A 65 1.534 4.716 -2.979 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.675 6.049 -2.598 1.00 0.00 C ATOM 991 CD2 PHE A 65 0.482 3.950 -2.490 1.00 0.00 C ATOM 992 CE1 PHE A 65 0.751 6.623 -1.731 1.00 0.00 C ATOM 993 CE2 PHE A 65 -0.445 4.516 -1.612 1.00 0.00 C ATOM 994 CZ PHE A 65 -0.316 5.857 -1.237 1.00 0.00 C ATOM 0 H PHE A 65 4.556 5.442 -4.043 1.00 0.00 H new ATOM 0 HA PHE A 65 3.586 3.425 -2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.763 4.850 -4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.026 3.278 -4.472 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.500 6.635 -2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.382 2.917 -2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.855 7.657 -1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.258 3.920 -1.224 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.037 6.303 -0.568 1.00 0.00 H new ATOM 1004 N ASP A 66 4.879 2.550 -5.079 1.00 0.00 N ATOM 1005 CA ASP A 66 5.354 1.396 -5.866 1.00 0.00 C ATOM 1006 C ASP A 66 6.108 0.445 -4.934 1.00 0.00 C ATOM 1007 O ASP A 66 5.964 -0.759 -5.005 1.00 0.00 O ATOM 1008 CB ASP A 66 6.299 1.884 -6.966 1.00 0.00 C ATOM 1009 CG ASP A 66 6.584 0.740 -7.941 1.00 0.00 C ATOM 1010 OD1 ASP A 66 5.828 0.592 -8.887 1.00 0.00 O ATOM 1011 OD2 ASP A 66 7.554 0.031 -7.726 1.00 0.00 O ATOM 0 H ASP A 66 5.087 3.463 -5.484 1.00 0.00 H new ATOM 0 HA ASP A 66 4.508 0.881 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.853 2.725 -7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.230 2.242 -6.527 1.00 0.00 H new ATOM 1016 N ILE A 67 6.899 0.984 -4.040 1.00 0.00 N ATOM 1017 CA ILE A 67 7.641 0.114 -3.087 1.00 0.00 C ATOM 1018 C ILE A 67 6.645 -0.580 -2.155 1.00 0.00 C ATOM 1019 O ILE A 67 6.514 -1.787 -2.161 1.00 0.00 O ATOM 1020 CB ILE A 67 8.621 0.953 -2.249 1.00 0.00 C ATOM 1021 CG1 ILE A 67 9.260 2.037 -3.137 1.00 0.00 C ATOM 1022 CG2 ILE A 67 9.703 0.034 -1.661 1.00 0.00 C ATOM 1023 CD1 ILE A 67 10.569 2.547 -2.517 1.00 0.00 C ATOM 0 H ILE A 67 7.060 1.985 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 67 8.204 -0.629 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 67 8.088 1.439 -1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.456 1.632 -4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.565 2.867 -3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 67 10.399 0.626 -1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.235 -0.720 -1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 67 10.243 -0.456 -2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.003 3.312 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.365 2.973 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.270 1.719 -2.414 1.00 0.00 H new ATOM 1035 N LEU A 68 5.952 0.175 -1.338 1.00 0.00 N ATOM 1036 CA LEU A 68 4.986 -0.460 -0.399 1.00 0.00 C ATOM 1037 C LEU A 68 3.990 -1.317 -1.186 1.00 0.00 C ATOM 1038 O LEU A 68 3.652 -2.412 -0.781 1.00 0.00 O ATOM 1039 CB LEU A 68 4.288 0.625 0.465 1.00 0.00 C ATOM 1040 CG LEU A 68 3.071 1.280 -0.244 1.00 0.00 C ATOM 1041 CD1 LEU A 68 1.766 0.516 0.059 1.00 0.00 C ATOM 1042 CD2 LEU A 68 2.904 2.730 0.266 1.00 0.00 C ATOM 0 H LEU A 68 6.014 1.192 -1.283 1.00 0.00 H new ATOM 0 HA LEU A 68 5.514 -1.121 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.957 0.177 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.012 1.399 0.720 1.00 0.00 H new ATOM 0 HG LEU A 68 3.257 1.257 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.934 1.000 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.857 -0.513 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.583 0.520 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.051 3.194 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.737 2.720 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.806 3.300 0.044 1.00 0.00 H new ATOM 1054 N VAL A 69 3.522 -0.844 -2.309 1.00 0.00 N ATOM 1055 CA VAL A 69 2.562 -1.643 -3.115 1.00 0.00 C ATOM 1056 C VAL A 69 3.255 -2.895 -3.676 1.00 0.00 C ATOM 1057 O VAL A 69 2.617 -3.884 -3.984 1.00 0.00 O ATOM 1058 CB VAL A 69 2.032 -0.772 -4.256 1.00 0.00 C ATOM 1059 CG1 VAL A 69 1.213 -1.626 -5.217 1.00 0.00 C ATOM 1060 CG2 VAL A 69 1.144 0.336 -3.679 1.00 0.00 C ATOM 0 H VAL A 69 3.766 0.065 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 69 1.732 -1.966 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 69 2.871 -0.329 -4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.837 -1.002 -6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.842 -2.416 -5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.374 -2.071 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.765 0.958 -4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.307 -0.111 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.728 0.950 -2.993 1.00 0.00 H new ATOM 1070 N GLY A 70 4.551 -2.852 -3.832 1.00 0.00 N ATOM 1071 CA GLY A 70 5.283 -4.025 -4.400 1.00 0.00 C ATOM 1072 C GLY A 70 5.357 -5.177 -3.395 1.00 0.00 C ATOM 1073 O GLY A 70 5.146 -6.320 -3.745 1.00 0.00 O ATOM 0 H GLY A 70 5.137 -2.053 -3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.783 -4.363 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.291 -3.724 -4.685 1.00 0.00 H new ATOM 1077 N GLN A 71 5.677 -4.906 -2.161 1.00 0.00 N ATOM 1078 CA GLN A 71 5.779 -6.021 -1.178 1.00 0.00 C ATOM 1079 C GLN A 71 4.394 -6.583 -0.859 1.00 0.00 C ATOM 1080 O GLN A 71 4.253 -7.749 -0.547 1.00 0.00 O ATOM 1081 CB GLN A 71 6.446 -5.533 0.105 1.00 0.00 C ATOM 1082 CG GLN A 71 5.787 -4.233 0.570 1.00 0.00 C ATOM 1083 CD GLN A 71 6.208 -3.942 2.011 1.00 0.00 C ATOM 1084 OE1 GLN A 71 6.997 -4.779 2.628 1.00 0.00 O flip ATOM 1085 NE2 GLN A 71 5.812 -2.946 2.583 1.00 0.00 N flip ATOM 0 H GLN A 71 5.870 -3.974 -1.793 1.00 0.00 H new ATOM 0 HA GLN A 71 6.386 -6.812 -1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.360 -6.293 0.882 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.510 -5.371 -0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.081 -3.409 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.702 -4.318 0.506 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.195 -2.292 2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.096 -2.764 3.546 1.00 0.00 H new ATOM 1094 N ILE A 72 3.363 -5.790 -0.949 1.00 0.00 N ATOM 1095 CA ILE A 72 2.010 -6.339 -0.662 1.00 0.00 C ATOM 1096 C ILE A 72 1.761 -7.466 -1.666 1.00 0.00 C ATOM 1097 O ILE A 72 1.496 -8.597 -1.306 1.00 0.00 O ATOM 1098 CB ILE A 72 0.950 -5.243 -0.843 1.00 0.00 C ATOM 1099 CG1 ILE A 72 1.057 -4.227 0.304 1.00 0.00 C ATOM 1100 CG2 ILE A 72 -0.448 -5.868 -0.829 1.00 0.00 C ATOM 1101 CD1 ILE A 72 0.166 -3.007 0.018 1.00 0.00 C ATOM 0 H ILE A 72 3.396 -4.803 -1.204 1.00 0.00 H new ATOM 0 HA ILE A 72 1.951 -6.706 0.363 1.00 0.00 H new ATOM 0 HB ILE A 72 1.117 -4.741 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.757 -4.694 1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.093 -3.910 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.197 -5.087 -0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.532 -6.589 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.611 -6.374 0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.251 -2.294 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.486 -2.532 -0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.871 -3.328 -0.078 1.00 0.00 H new ATOM 1113 N ASP A 73 1.875 -7.162 -2.930 1.00 0.00 N ATOM 1114 CA ASP A 73 1.677 -8.204 -3.972 1.00 0.00 C ATOM 1115 C ASP A 73 2.659 -9.329 -3.736 1.00 0.00 C ATOM 1116 O ASP A 73 2.346 -10.483 -3.898 1.00 0.00 O ATOM 1117 CB ASP A 73 1.960 -7.615 -5.353 1.00 0.00 C ATOM 1118 CG ASP A 73 1.442 -8.565 -6.433 1.00 0.00 C ATOM 1119 OD1 ASP A 73 0.370 -9.115 -6.245 1.00 0.00 O ATOM 1120 OD2 ASP A 73 2.125 -8.727 -7.431 1.00 0.00 O ATOM 0 H ASP A 73 2.098 -6.232 -3.285 1.00 0.00 H new ATOM 0 HA ASP A 73 0.650 -8.567 -3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.479 -6.642 -5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.031 -7.455 -5.479 1.00 0.00 H new ATOM 1125 N ASP A 74 3.866 -9.019 -3.377 1.00 0.00 N ATOM 1126 CA ASP A 74 4.822 -10.121 -3.188 1.00 0.00 C ATOM 1127 C ASP A 74 4.249 -11.083 -2.156 1.00 0.00 C ATOM 1128 O ASP A 74 4.585 -12.250 -2.128 1.00 0.00 O ATOM 1129 CB ASP A 74 6.178 -9.580 -2.751 1.00 0.00 C ATOM 1130 CG ASP A 74 7.184 -10.729 -2.669 1.00 0.00 C ATOM 1131 OD1 ASP A 74 7.307 -11.455 -3.642 1.00 0.00 O ATOM 1132 OD2 ASP A 74 7.817 -10.864 -1.634 1.00 0.00 O ATOM 0 H ASP A 74 4.221 -8.077 -3.211 1.00 0.00 H new ATOM 0 HA ASP A 74 4.975 -10.652 -4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.526 -8.828 -3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.090 -9.090 -1.782 1.00 0.00 H new ATOM 1137 N ALA A 75 3.327 -10.625 -1.354 1.00 0.00 N ATOM 1138 CA ALA A 75 2.688 -11.554 -0.397 1.00 0.00 C ATOM 1139 C ALA A 75 1.792 -12.454 -1.242 1.00 0.00 C ATOM 1140 O ALA A 75 1.654 -13.639 -1.005 1.00 0.00 O ATOM 1141 CB ALA A 75 1.854 -10.788 0.625 1.00 0.00 C ATOM 0 H ALA A 75 2.996 -9.661 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 75 3.429 -12.124 0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.393 -11.491 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.496 -10.101 1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.076 -10.224 0.110 1.00 0.00 H new ATOM 1147 N LEU A 76 1.221 -11.877 -2.269 1.00 0.00 N ATOM 1148 CA LEU A 76 0.363 -12.648 -3.213 1.00 0.00 C ATOM 1149 C LEU A 76 1.228 -13.769 -3.780 1.00 0.00 C ATOM 1150 O LEU A 76 0.802 -14.890 -3.958 1.00 0.00 O ATOM 1151 CB LEU A 76 -0.078 -11.692 -4.342 1.00 0.00 C ATOM 1152 CG LEU A 76 -1.263 -12.268 -5.151 1.00 0.00 C ATOM 1153 CD1 LEU A 76 -2.076 -11.121 -5.770 1.00 0.00 C ATOM 1154 CD2 LEU A 76 -0.754 -13.175 -6.283 1.00 0.00 C ATOM 0 H LEU A 76 1.316 -10.887 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.521 -13.062 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.363 -10.731 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.763 -11.507 -5.011 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.888 -12.850 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.910 -11.532 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.459 -10.478 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.437 -10.538 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.602 -13.571 -6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.116 -12.598 -6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.182 -14.000 -5.859 1.00 0.00 H new ATOM 1166 N LYS A 77 2.456 -13.443 -4.048 1.00 0.00 N ATOM 1167 CA LYS A 77 3.423 -14.422 -4.595 1.00 0.00 C ATOM 1168 C LYS A 77 3.660 -15.541 -3.580 1.00 0.00 C ATOM 1169 O LYS A 77 3.669 -16.717 -3.897 1.00 0.00 O ATOM 1170 CB LYS A 77 4.723 -13.647 -4.844 1.00 0.00 C ATOM 1171 CG LYS A 77 5.568 -14.317 -5.921 1.00 0.00 C ATOM 1172 CD LYS A 77 6.853 -13.480 -6.163 1.00 0.00 C ATOM 1173 CE LYS A 77 8.001 -14.013 -5.296 1.00 0.00 C ATOM 1174 NZ LYS A 77 8.587 -15.225 -5.936 1.00 0.00 N ATOM 0 H LYS A 77 2.840 -12.509 -3.905 1.00 0.00 H new ATOM 0 HA LYS A 77 3.055 -14.880 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.489 -12.626 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.294 -13.583 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.832 -15.329 -5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.997 -14.403 -6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.132 -13.524 -7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.664 -12.433 -5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.766 -13.246 -5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.635 -14.257 -4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.124 -15.766 -5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.824 -15.818 -6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.223 -14.937 -6.707 1.00 0.00 H new ATOM 1188 N LEU A 78 3.852 -15.163 -2.362 1.00 0.00 N ATOM 1189 CA LEU A 78 4.101 -16.130 -1.280 1.00 0.00 C ATOM 1190 C LEU A 78 2.876 -17.038 -1.113 1.00 0.00 C ATOM 1191 O LEU A 78 2.968 -18.242 -1.209 1.00 0.00 O ATOM 1192 CB LEU A 78 4.335 -15.288 -0.024 1.00 0.00 C ATOM 1193 CG LEU A 78 5.834 -15.165 0.295 1.00 0.00 C ATOM 1194 CD1 LEU A 78 6.494 -14.220 -0.710 1.00 0.00 C ATOM 1195 CD2 LEU A 78 6.000 -14.603 1.703 1.00 0.00 C ATOM 0 H LEU A 78 3.846 -14.188 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 78 4.956 -16.775 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.908 -14.295 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.817 -15.741 0.822 1.00 0.00 H new ATOM 0 HG LEU A 78 6.304 -16.146 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.557 -14.133 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.369 -14.616 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.028 -13.237 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.061 -14.513 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.531 -13.621 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.526 -15.273 2.420 1.00 0.00 H new ATOM 1207 N ALA A 79 1.735 -16.468 -0.855 1.00 0.00 N ATOM 1208 CA ALA A 79 0.507 -17.292 -0.677 1.00 0.00 C ATOM 1209 C ALA A 79 0.410 -18.328 -1.801 1.00 0.00 C ATOM 1210 O ALA A 79 0.022 -19.458 -1.579 1.00 0.00 O ATOM 1211 CB ALA A 79 -0.714 -16.377 -0.708 1.00 0.00 C ATOM 0 H ALA A 79 1.598 -15.462 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 79 0.550 -17.813 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.618 -16.972 -0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.642 -15.646 0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.756 -15.858 -1.666 1.00 0.00 H new ATOM 1217 N ASN A 80 0.783 -17.970 -3.003 1.00 0.00 N ATOM 1218 CA ASN A 80 0.728 -18.967 -4.109 1.00 0.00 C ATOM 1219 C ASN A 80 1.639 -20.124 -3.718 1.00 0.00 C ATOM 1220 O ASN A 80 1.426 -21.259 -4.096 1.00 0.00 O ATOM 1221 CB ASN A 80 1.224 -18.338 -5.416 1.00 0.00 C ATOM 1222 CG ASN A 80 0.534 -16.988 -5.662 1.00 0.00 C ATOM 1223 OD1 ASN A 80 -0.509 -16.641 -4.954 1.00 0.00 O flip ATOM 1224 ND2 ASN A 80 0.955 -16.236 -6.518 1.00 0.00 N flip ATOM 0 H ASN A 80 1.119 -17.043 -3.263 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.295 -19.309 -4.265 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.304 -18.198 -5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.024 -19.012 -6.249 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.768 -16.500 -7.074 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.495 -15.340 -6.681 1.00 0.00 H new ATOM 1231 N GLU A 81 2.638 -19.843 -2.925 1.00 0.00 N ATOM 1232 CA GLU A 81 3.554 -20.921 -2.459 1.00 0.00 C ATOM 1233 C GLU A 81 2.945 -21.548 -1.197 1.00 0.00 C ATOM 1234 O GLU A 81 3.512 -22.432 -0.589 1.00 0.00 O ATOM 1235 CB GLU A 81 4.928 -20.324 -2.131 1.00 0.00 C ATOM 1236 CG GLU A 81 5.967 -21.443 -2.013 1.00 0.00 C ATOM 1237 CD GLU A 81 7.363 -20.830 -1.884 1.00 0.00 C ATOM 1238 OE1 GLU A 81 7.473 -19.624 -2.025 1.00 0.00 O ATOM 1239 OE2 GLU A 81 8.297 -21.578 -1.647 1.00 0.00 O ATOM 0 H GLU A 81 2.859 -18.909 -2.579 1.00 0.00 H new ATOM 0 HA GLU A 81 3.678 -21.677 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.224 -19.621 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.877 -19.763 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.750 -22.066 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.922 -22.090 -2.889 1.00 0.00 H new ATOM 1246 N GLY A 82 1.771 -21.102 -0.822 1.00 0.00 N ATOM 1247 CA GLY A 82 1.085 -21.672 0.378 1.00 0.00 C ATOM 1248 C GLY A 82 1.515 -20.951 1.664 1.00 0.00 C ATOM 1249 O GLY A 82 1.659 -21.569 2.699 1.00 0.00 O ATOM 0 H GLY A 82 1.256 -20.363 -1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.005 -21.588 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.315 -22.734 0.460 1.00 0.00 H new ATOM 1253 N LYS A 83 1.709 -19.653 1.623 1.00 0.00 N ATOM 1254 CA LYS A 83 2.114 -18.919 2.867 1.00 0.00 C ATOM 1255 C LYS A 83 0.874 -18.329 3.542 1.00 0.00 C ATOM 1256 O LYS A 83 0.713 -17.127 3.624 1.00 0.00 O ATOM 1257 CB LYS A 83 3.050 -17.761 2.518 1.00 0.00 C ATOM 1258 CG LYS A 83 4.310 -18.253 1.779 1.00 0.00 C ATOM 1259 CD LYS A 83 5.127 -19.273 2.629 1.00 0.00 C ATOM 1260 CE LYS A 83 5.027 -20.673 2.029 1.00 0.00 C ATOM 1261 NZ LYS A 83 6.042 -21.560 2.667 1.00 0.00 N ATOM 0 H LYS A 83 1.606 -19.074 0.790 1.00 0.00 H new ATOM 0 HA LYS A 83 2.618 -19.622 3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.521 -17.040 1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.342 -17.241 3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.019 -18.718 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.941 -17.400 1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.171 -18.964 2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.754 -19.283 3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.026 -21.076 2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.190 -20.631 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.975 -22.514 2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.994 -21.177 2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.866 -21.608 3.691 1.00 0.00 H new ATOM 1275 N VAL A 84 0.001 -19.160 4.024 1.00 0.00 N ATOM 1276 CA VAL A 84 -1.229 -18.645 4.694 1.00 0.00 C ATOM 1277 C VAL A 84 -0.861 -17.833 5.941 1.00 0.00 C ATOM 1278 O VAL A 84 -1.408 -16.775 6.188 1.00 0.00 O ATOM 1279 CB VAL A 84 -2.111 -19.820 5.115 1.00 0.00 C ATOM 1280 CG1 VAL A 84 -3.397 -19.290 5.750 1.00 0.00 C ATOM 1281 CG2 VAL A 84 -2.457 -20.658 3.886 1.00 0.00 C ATOM 0 H VAL A 84 0.081 -20.176 3.986 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.763 -18.004 3.992 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.577 -20.437 5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.026 -20.128 6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.150 -18.690 6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.933 -18.674 5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.086 -21.497 4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.992 -20.041 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.540 -21.035 3.433 1.00 0.00 H new ATOM 1291 N LYS A 85 0.050 -18.325 6.735 1.00 0.00 N ATOM 1292 CA LYS A 85 0.438 -17.592 7.976 1.00 0.00 C ATOM 1293 C LYS A 85 1.274 -16.365 7.623 1.00 0.00 C ATOM 1294 O LYS A 85 0.982 -15.256 8.024 1.00 0.00 O ATOM 1295 CB LYS A 85 1.235 -18.513 8.931 1.00 0.00 C ATOM 1296 CG LYS A 85 2.270 -19.410 8.182 1.00 0.00 C ATOM 1297 CD LYS A 85 3.704 -18.880 8.391 1.00 0.00 C ATOM 1298 CE LYS A 85 4.258 -19.375 9.733 1.00 0.00 C ATOM 1299 NZ LYS A 85 4.738 -20.778 9.582 1.00 0.00 N ATOM 0 H LYS A 85 0.544 -19.204 6.579 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.473 -17.272 8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.757 -17.901 9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.540 -19.149 9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.200 -20.435 8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.037 -19.432 7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.347 -19.216 7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.704 -17.790 8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.075 -18.733 10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.485 -19.324 10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.665 -21.270 10.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.154 -21.271 8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.730 -20.774 9.269 1.00 0.00 H new ATOM 1313 N GLU A 86 2.317 -16.570 6.892 1.00 0.00 N ATOM 1314 CA GLU A 86 3.211 -15.449 6.504 1.00 0.00 C ATOM 1315 C GLU A 86 2.413 -14.403 5.711 1.00 0.00 C ATOM 1316 O GLU A 86 2.566 -13.214 5.910 1.00 0.00 O ATOM 1317 CB GLU A 86 4.359 -16.038 5.651 1.00 0.00 C ATOM 1318 CG GLU A 86 5.720 -15.788 6.319 1.00 0.00 C ATOM 1319 CD GLU A 86 6.065 -14.300 6.232 1.00 0.00 C ATOM 1320 OE1 GLU A 86 5.549 -13.544 7.039 1.00 0.00 O ATOM 1321 OE2 GLU A 86 6.838 -13.941 5.358 1.00 0.00 O ATOM 0 H GLU A 86 2.599 -17.483 6.536 1.00 0.00 H new ATOM 0 HA GLU A 86 3.624 -14.954 7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.206 -17.109 5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.348 -15.588 4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.689 -16.105 7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.492 -16.381 5.829 1.00 0.00 H new ATOM 1328 N ALA A 87 1.564 -14.831 4.818 1.00 0.00 N ATOM 1329 CA ALA A 87 0.768 -13.850 4.026 1.00 0.00 C ATOM 1330 C ALA A 87 -0.139 -13.057 4.969 1.00 0.00 C ATOM 1331 O ALA A 87 -0.232 -11.848 4.882 1.00 0.00 O ATOM 1332 CB ALA A 87 -0.087 -14.594 2.998 1.00 0.00 C ATOM 0 H ALA A 87 1.387 -15.812 4.603 1.00 0.00 H new ATOM 0 HA ALA A 87 1.441 -13.168 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.668 -13.876 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.560 -15.160 2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.763 -15.277 3.513 1.00 0.00 H new ATOM 1338 N GLN A 88 -0.800 -13.723 5.876 1.00 0.00 N ATOM 1339 CA GLN A 88 -1.690 -12.998 6.830 1.00 0.00 C ATOM 1340 C GLN A 88 -0.828 -12.091 7.716 1.00 0.00 C ATOM 1341 O GLN A 88 -1.129 -10.931 7.908 1.00 0.00 O ATOM 1342 CB GLN A 88 -2.456 -14.014 7.698 1.00 0.00 C ATOM 1343 CG GLN A 88 -3.745 -14.424 6.982 1.00 0.00 C ATOM 1344 CD GLN A 88 -4.473 -15.494 7.795 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -5.074 -15.161 8.902 1.00 0.00 O flip ATOM 1346 NE2 GLN A 88 -4.497 -16.648 7.418 1.00 0.00 N flip ATOM 0 H GLN A 88 -0.763 -14.735 5.999 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.412 -12.393 6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.836 -14.891 7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.689 -13.577 8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.389 -13.555 6.848 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.514 -14.805 5.987 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.027 -16.911 6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.987 -17.354 7.968 1.00 0.00 H new ATOM 1355 N ALA A 89 0.248 -12.606 8.249 1.00 0.00 N ATOM 1356 CA ALA A 89 1.125 -11.759 9.107 1.00 0.00 C ATOM 1357 C ALA A 89 1.671 -10.611 8.258 1.00 0.00 C ATOM 1358 O ALA A 89 1.726 -9.469 8.685 1.00 0.00 O ATOM 1359 CB ALA A 89 2.287 -12.598 9.645 1.00 0.00 C ATOM 0 H ALA A 89 0.556 -13.571 8.128 1.00 0.00 H new ATOM 0 HA ALA A 89 0.555 -11.365 9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.926 -11.975 10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.895 -13.426 10.236 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.869 -12.991 8.811 1.00 0.00 H new ATOM 1365 N ALA A 90 2.049 -10.894 7.044 1.00 0.00 N ATOM 1366 CA ALA A 90 2.559 -9.805 6.175 1.00 0.00 C ATOM 1367 C ALA A 90 1.431 -8.797 6.018 1.00 0.00 C ATOM 1368 O ALA A 90 1.645 -7.627 5.804 1.00 0.00 O ATOM 1369 CB ALA A 90 2.953 -10.367 4.807 1.00 0.00 C ATOM 0 H ALA A 90 2.027 -11.822 6.621 1.00 0.00 H new ATOM 0 HA ALA A 90 3.441 -9.338 6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.326 -9.560 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.732 -11.119 4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.082 -10.823 4.336 1.00 0.00 H new ATOM 1375 N ALA A 91 0.221 -9.248 6.159 1.00 0.00 N ATOM 1376 CA ALA A 91 -0.929 -8.321 6.053 1.00 0.00 C ATOM 1377 C ALA A 91 -0.810 -7.280 7.172 1.00 0.00 C ATOM 1378 O ALA A 91 -1.024 -6.102 6.968 1.00 0.00 O ATOM 1379 CB ALA A 91 -2.229 -9.124 6.198 1.00 0.00 C ATOM 0 H ALA A 91 -0.020 -10.222 6.344 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.937 -7.815 5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.083 -8.451 6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.285 -9.872 5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.244 -9.620 7.168 1.00 0.00 H new ATOM 1385 N GLU A 92 -0.463 -7.718 8.354 1.00 0.00 N ATOM 1386 CA GLU A 92 -0.318 -6.773 9.493 1.00 0.00 C ATOM 1387 C GLU A 92 0.847 -5.817 9.227 1.00 0.00 C ATOM 1388 O GLU A 92 0.992 -4.811 9.893 1.00 0.00 O ATOM 1389 CB GLU A 92 -0.075 -7.572 10.790 1.00 0.00 C ATOM 1390 CG GLU A 92 -1.421 -7.908 11.461 1.00 0.00 C ATOM 1391 CD GLU A 92 -1.273 -9.154 12.340 1.00 0.00 C ATOM 1392 OE1 GLU A 92 -0.146 -9.527 12.620 1.00 0.00 O ATOM 1393 OE2 GLU A 92 -2.290 -9.711 12.719 1.00 0.00 O ATOM 0 H GLU A 92 -0.274 -8.695 8.577 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.230 -6.186 9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.468 -8.490 10.565 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.547 -6.993 11.473 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.756 -7.065 12.065 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.183 -8.078 10.701 1.00 0.00 H new ATOM 1400 N GLN A 93 1.666 -6.098 8.249 1.00 0.00 N ATOM 1401 CA GLN A 93 2.786 -5.168 7.953 1.00 0.00 C ATOM 1402 C GLN A 93 2.191 -4.000 7.182 1.00 0.00 C ATOM 1403 O GLN A 93 2.600 -2.869 7.324 1.00 0.00 O ATOM 1404 CB GLN A 93 3.895 -5.926 7.173 1.00 0.00 C ATOM 1405 CG GLN A 93 3.741 -5.841 5.631 1.00 0.00 C ATOM 1406 CD GLN A 93 4.546 -4.667 5.096 1.00 0.00 C ATOM 1407 OE1 GLN A 93 4.044 -3.484 5.201 1.00 0.00 O flip ATOM 1408 NE2 GLN A 93 5.637 -4.831 4.591 1.00 0.00 N flip ATOM 0 H GLN A 93 1.607 -6.922 7.650 1.00 0.00 H new ATOM 0 HA GLN A 93 3.265 -4.783 8.853 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.867 -5.521 7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.887 -6.974 7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.083 -6.768 5.171 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.690 -5.723 5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.026 -5.770 4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.165 -4.029 4.245 1.00 0.00 H new ATOM 1417 N LEU A 94 1.191 -4.274 6.398 1.00 0.00 N ATOM 1418 CA LEU A 94 0.511 -3.194 5.633 1.00 0.00 C ATOM 1419 C LEU A 94 -0.217 -2.274 6.619 1.00 0.00 C ATOM 1420 O LEU A 94 -0.119 -1.067 6.550 1.00 0.00 O ATOM 1421 CB LEU A 94 -0.497 -3.827 4.671 1.00 0.00 C ATOM 1422 CG LEU A 94 -1.361 -2.747 4.001 1.00 0.00 C ATOM 1423 CD1 LEU A 94 -0.469 -1.667 3.371 1.00 0.00 C ATOM 1424 CD2 LEU A 94 -2.215 -3.400 2.909 1.00 0.00 C ATOM 0 H LEU A 94 0.811 -5.209 6.252 1.00 0.00 H new ATOM 0 HA LEU A 94 1.238 -2.615 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.031 -4.402 3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.135 -4.526 5.213 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.001 -2.282 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.094 -0.908 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.143 -1.204 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.178 -2.122 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.832 -2.641 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.565 -3.864 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.857 -4.160 3.355 1.00 0.00 H new ATOM 1436 N LYS A 95 -0.946 -2.848 7.537 1.00 0.00 N ATOM 1437 CA LYS A 95 -1.698 -2.035 8.542 1.00 0.00 C ATOM 1438 C LYS A 95 -0.740 -1.077 9.267 1.00 0.00 C ATOM 1439 O LYS A 95 -0.819 0.136 9.131 1.00 0.00 O ATOM 1440 CB LYS A 95 -2.337 -2.978 9.574 1.00 0.00 C ATOM 1441 CG LYS A 95 -3.447 -3.832 8.914 1.00 0.00 C ATOM 1442 CD LYS A 95 -3.698 -5.155 9.721 1.00 0.00 C ATOM 1443 CE LYS A 95 -5.159 -5.267 10.192 1.00 0.00 C ATOM 1444 NZ LYS A 95 -5.224 -6.190 11.360 1.00 0.00 N ATOM 0 H LYS A 95 -1.055 -3.857 7.636 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.468 -1.457 8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.575 -3.629 10.001 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.757 -2.397 10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.370 -3.255 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.163 -4.075 7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.450 -6.014 9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.034 -5.186 10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.542 -4.284 10.467 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.788 -5.639 9.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.209 -6.271 11.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.873 -7.128 11.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.635 -5.816 12.131 1.00 0.00 H new ATOM 1458 N THR A 96 0.152 -1.613 10.054 1.00 0.00 N ATOM 1459 CA THR A 96 1.103 -0.750 10.811 1.00 0.00 C ATOM 1460 C THR A 96 1.995 0.038 9.850 1.00 0.00 C ATOM 1461 O THR A 96 2.439 1.122 10.167 1.00 0.00 O ATOM 1462 CB THR A 96 1.975 -1.625 11.715 1.00 0.00 C ATOM 1463 OG1 THR A 96 1.161 -2.588 12.368 1.00 0.00 O ATOM 1464 CG2 THR A 96 2.671 -0.749 12.760 1.00 0.00 C ATOM 0 H THR A 96 0.264 -2.615 10.206 1.00 0.00 H new ATOM 0 HA THR A 96 0.532 -0.045 11.416 1.00 0.00 H new ATOM 0 HB THR A 96 2.727 -2.134 11.112 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.719 -3.150 12.946 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.292 -1.373 13.403 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.296 -0.011 12.258 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.921 -0.238 13.364 1.00 0.00 H new ATOM 1472 N THR A 97 2.271 -0.484 8.682 1.00 0.00 N ATOM 1473 CA THR A 97 3.143 0.274 7.737 1.00 0.00 C ATOM 1474 C THR A 97 2.610 1.707 7.619 1.00 0.00 C ATOM 1475 O THR A 97 3.322 2.648 7.851 1.00 0.00 O ATOM 1476 CB THR A 97 3.165 -0.415 6.364 1.00 0.00 C ATOM 1477 OG1 THR A 97 4.157 -1.428 6.382 1.00 0.00 O ATOM 1478 CG2 THR A 97 3.505 0.584 5.249 1.00 0.00 C ATOM 0 H THR A 97 1.936 -1.387 8.346 1.00 0.00 H new ATOM 0 HA THR A 97 4.166 0.298 8.113 1.00 0.00 H new ATOM 0 HB THR A 97 2.178 -0.834 6.168 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.731 -2.305 6.287 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.513 0.068 4.289 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.756 1.376 5.229 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.487 1.018 5.436 1.00 0.00 H new ATOM 1486 N ILE A 98 1.364 1.869 7.264 1.00 0.00 N ATOM 1487 CA ILE A 98 0.785 3.239 7.150 1.00 0.00 C ATOM 1488 C ILE A 98 0.996 3.985 8.476 1.00 0.00 C ATOM 1489 O ILE A 98 1.567 5.054 8.505 1.00 0.00 O ATOM 1490 CB ILE A 98 -0.725 3.104 6.809 1.00 0.00 C ATOM 1491 CG1 ILE A 98 -0.928 2.906 5.264 1.00 0.00 C ATOM 1492 CG2 ILE A 98 -1.509 4.339 7.293 1.00 0.00 C ATOM 1493 CD1 ILE A 98 -1.596 1.554 4.981 1.00 0.00 C ATOM 0 H ILE A 98 0.720 1.109 7.047 1.00 0.00 H new ATOM 0 HA ILE A 98 1.274 3.809 6.360 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.109 2.226 7.327 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -1.543 3.713 4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.034 2.957 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.563 4.222 7.043 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.401 4.438 8.373 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.118 5.232 6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.730 1.432 3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.966 0.750 5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.568 1.518 5.474 1.00 0.00 H new ATOM 1505 N ARG A 99 0.541 3.448 9.572 1.00 0.00 N ATOM 1506 CA ARG A 99 0.716 4.160 10.863 1.00 0.00 C ATOM 1507 C ARG A 99 2.201 4.467 11.117 1.00 0.00 C ATOM 1508 O ARG A 99 2.566 5.586 11.414 1.00 0.00 O ATOM 1509 CB ARG A 99 0.154 3.264 11.973 1.00 0.00 C ATOM 1510 CG ARG A 99 -0.421 4.105 13.118 1.00 0.00 C ATOM 1511 CD ARG A 99 0.707 4.613 14.021 1.00 0.00 C ATOM 1512 NE ARG A 99 1.485 3.457 14.549 1.00 0.00 N ATOM 1513 CZ ARG A 99 2.325 3.630 15.531 1.00 0.00 C ATOM 1514 NH1 ARG A 99 2.482 4.815 16.056 1.00 0.00 N ATOM 1515 NH2 ARG A 99 3.009 2.618 15.990 1.00 0.00 N ATOM 0 H ARG A 99 0.058 2.551 9.628 1.00 0.00 H new ATOM 0 HA ARG A 99 0.186 5.112 10.841 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.623 2.618 11.565 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.941 2.614 12.354 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.980 4.949 12.714 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.122 3.508 13.701 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.362 5.280 13.461 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.293 5.193 14.846 1.00 0.00 H new ATOM 0 HE ARG A 99 1.360 2.530 14.142 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.947 5.606 15.698 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.139 4.949 16.824 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.886 1.692 15.581 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.666 2.753 16.758 1.00 0.00 H new ATOM 1529 N ALA A 100 3.058 3.491 11.010 1.00 0.00 N ATOM 1530 CA ALA A 100 4.509 3.752 11.256 1.00 0.00 C ATOM 1531 C ALA A 100 5.015 4.784 10.246 1.00 0.00 C ATOM 1532 O ALA A 100 5.908 5.561 10.521 1.00 0.00 O ATOM 1533 CB ALA A 100 5.298 2.452 11.095 1.00 0.00 C ATOM 0 H ALA A 100 2.822 2.529 10.765 1.00 0.00 H new ATOM 0 HA ALA A 100 4.644 4.133 12.268 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.356 2.644 11.275 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.936 1.715 11.812 1.00 0.00 H new ATOM 0 HB3 ALA A 100 5.165 2.069 10.083 1.00 0.00 H new ATOM 1539 N TYR A 101 4.433 4.794 9.086 1.00 0.00 N ATOM 1540 CA TYR A 101 4.832 5.762 8.029 1.00 0.00 C ATOM 1541 C TYR A 101 4.221 7.128 8.366 1.00 0.00 C ATOM 1542 O TYR A 101 4.073 7.970 7.510 1.00 0.00 O ATOM 1543 CB TYR A 101 4.292 5.269 6.671 1.00 0.00 C ATOM 1544 CG TYR A 101 5.256 4.322 5.990 1.00 0.00 C ATOM 1545 CD1 TYR A 101 6.078 3.481 6.747 1.00 0.00 C ATOM 1546 CD2 TYR A 101 5.321 4.289 4.586 1.00 0.00 C ATOM 1547 CE1 TYR A 101 6.967 2.609 6.108 1.00 0.00 C ATOM 1548 CE2 TYR A 101 6.211 3.414 3.948 1.00 0.00 C ATOM 1549 CZ TYR A 101 7.035 2.577 4.709 1.00 0.00 C ATOM 1550 OH TYR A 101 7.912 1.717 4.081 1.00 0.00 O ATOM 0 H TYR A 101 3.681 4.159 8.818 1.00 0.00 H new ATOM 0 HA TYR A 101 5.917 5.847 7.976 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.336 4.768 6.821 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.105 6.125 6.022 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.027 3.504 7.826 1.00 0.00 H new ATOM 0 HD2 TYR A 101 4.686 4.937 4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.601 1.960 6.694 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.261 3.386 2.870 1.00 0.00 H new ATOM 0 HH TYR A 101 7.832 1.820 3.110 1.00 0.00 H new ATOM 1560 N ASN A 102 3.824 7.325 9.595 1.00 0.00 N ATOM 1561 CA ASN A 102 3.176 8.612 10.001 1.00 0.00 C ATOM 1562 C ASN A 102 1.770 8.583 9.434 1.00 0.00 C ATOM 1563 O ASN A 102 1.425 9.414 8.617 1.00 0.00 O ATOM 1564 CB ASN A 102 3.922 9.839 9.433 1.00 0.00 C ATOM 1565 CG ASN A 102 5.421 9.602 9.453 1.00 0.00 C ATOM 1566 OD1 ASN A 102 6.100 9.903 10.415 1.00 0.00 O ATOM 1567 ND2 ASN A 102 5.954 9.067 8.408 1.00 0.00 N ATOM 0 H ASN A 102 3.921 6.642 10.346 1.00 0.00 H new ATOM 0 HA ASN A 102 3.188 8.702 11.087 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.592 10.033 8.413 1.00 0.00 H new ATOM 0 HB3 ASN A 102 3.679 10.724 10.021 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.958 8.891 8.381 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.371 8.820 7.608 1.00 0.00 H new ATOM 1574 N GLN A 103 0.957 7.606 9.790 1.00 0.00 N ATOM 1575 CA GLN A 103 -0.373 7.528 9.163 1.00 0.00 C ATOM 1576 C GLN A 103 -0.118 7.695 7.670 1.00 0.00 C ATOM 1577 O GLN A 103 -0.634 8.576 7.011 1.00 0.00 O ATOM 1578 CB GLN A 103 -1.252 8.633 9.729 1.00 0.00 C ATOM 1579 CG GLN A 103 -2.121 8.070 10.859 1.00 0.00 C ATOM 1580 CD GLN A 103 -3.163 7.123 10.265 1.00 0.00 C ATOM 1581 OE1 GLN A 103 -3.086 6.808 9.001 1.00 0.00 O flip ATOM 1582 NE2 GLN A 103 -4.052 6.666 10.954 1.00 0.00 N flip ATOM 0 H GLN A 103 1.168 6.881 10.476 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.893 6.590 9.355 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.633 9.448 10.104 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -1.883 9.048 8.943 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.501 7.540 11.582 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.613 8.882 11.395 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -4.110 6.914 11.942 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -4.741 6.034 10.545 1.00 0.00 H new ATOM 1591 N LYS A 104 0.749 6.845 7.192 1.00 0.00 N ATOM 1592 CA LYS A 104 1.195 6.838 5.789 1.00 0.00 C ATOM 1593 C LYS A 104 1.984 8.125 5.501 1.00 0.00 C ATOM 1594 O LYS A 104 3.187 8.090 5.376 1.00 0.00 O ATOM 1595 CB LYS A 104 -0.025 6.614 4.917 1.00 0.00 C ATOM 1596 CG LYS A 104 0.229 7.045 3.477 1.00 0.00 C ATOM 1597 CD LYS A 104 1.513 6.361 2.972 1.00 0.00 C ATOM 1598 CE LYS A 104 1.543 6.389 1.444 1.00 0.00 C ATOM 1599 NZ LYS A 104 2.918 6.063 0.969 1.00 0.00 N ATOM 0 H LYS A 104 1.184 6.118 7.760 1.00 0.00 H new ATOM 0 HA LYS A 104 1.889 6.027 5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.300 5.560 4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.870 7.172 5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.617 6.771 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.332 8.129 3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.390 6.870 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.552 5.331 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.828 5.671 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.245 7.373 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.921 5.998 -0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.576 6.810 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.218 5.153 1.373 1.00 0.00 H new ATOM 1613 N TYR A 105 1.366 9.258 5.443 1.00 0.00 N ATOM 1614 CA TYR A 105 2.146 10.517 5.226 1.00 0.00 C ATOM 1615 C TYR A 105 1.377 11.660 5.894 1.00 0.00 C ATOM 1616 O TYR A 105 1.451 12.804 5.492 1.00 0.00 O ATOM 1617 CB TYR A 105 2.337 10.796 3.711 1.00 0.00 C ATOM 1618 CG TYR A 105 3.804 10.743 3.316 1.00 0.00 C ATOM 1619 CD1 TYR A 105 4.440 9.514 3.123 1.00 0.00 C ATOM 1620 CD2 TYR A 105 4.519 11.934 3.134 1.00 0.00 C ATOM 1621 CE1 TYR A 105 5.787 9.472 2.753 1.00 0.00 C ATOM 1622 CE2 TYR A 105 5.865 11.894 2.761 1.00 0.00 C ATOM 1623 CZ TYR A 105 6.502 10.662 2.571 1.00 0.00 C ATOM 1624 OH TYR A 105 7.832 10.621 2.206 1.00 0.00 O ATOM 0 H TYR A 105 0.357 9.379 5.535 1.00 0.00 H new ATOM 0 HA TYR A 105 3.141 10.423 5.662 1.00 0.00 H new ATOM 0 HB2 TYR A 105 1.776 10.063 3.131 1.00 0.00 H new ATOM 0 HB3 TYR A 105 1.928 11.776 3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 105 3.890 8.595 3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 105 4.029 12.885 3.282 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.277 8.521 2.607 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.414 12.813 2.619 1.00 0.00 H new ATOM 0 HH TYR A 105 8.176 11.535 2.121 1.00 0.00 H new ATOM 1634 N GLY A 106 0.626 11.347 6.904 1.00 0.00 N ATOM 1635 CA GLY A 106 -0.170 12.398 7.594 1.00 0.00 C ATOM 1636 C GLY A 106 -0.500 11.941 9.016 1.00 0.00 C ATOM 1637 O GLY A 106 -1.644 11.594 9.255 1.00 0.00 O ATOM 1638 OXT GLY A 106 0.397 11.948 9.842 1.00 0.00 O ATOM 0 H GLY A 106 0.526 10.406 7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 106 0.390 13.333 7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.089 12.594 7.042 1.00 0.00 H new