USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 958 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 124 CYS SG : rot 27:sc= 0.447 USER MOD Set 1.2: A 127 ASN : amide:sc= -1.63 X(o=-1.2,f=-1.2) USER MOD Set 2.1: A 102 SER OG : rot -99:sc= 0.025 USER MOD Set 2.2: A 103 GLN : amide:sc= -2.93! C(o=-2.9!,f=-12!) USER MOD Set 3.1: A 62 ASN : amide:sc= -4.11! K(o=-4.1!,f=-1.9) USER MOD Set 3.2: A 76 SER OG : rot -44:sc= 0.0278 USER MOD Set 4.1: A 64 ASN : amide:sc= -0.0208 K(o=-1.7,f=-3.1) USER MOD Set 4.2: A 72 MET CE :methyl -140:sc= -1.25 (180deg=-1.94!) USER MOD Set 4.3: A 74 MET CE :methyl -124:sc= -0.4 (180deg=-1.89!) USER MOD Single : A 9 GLN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.698 X(o=-0.7,f=-0.4) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -116:sc= -0.319 (180deg=-4.25!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 33 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.07) USER MOD Single : A 35 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.37) USER MOD Single : A 42 LYS NZ :NH3+ -166:sc=-0.00132 (180deg=-0.0839) USER MOD Single : A 44 CYS SG : rot 70:sc= 1.09 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= -1.02 (180deg=-1.72!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 137:sc= -1.5 (180deg=-1.63) USER MOD Single : A 68 SER OG : rot 41:sc= 1.27 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 47:sc= -0.916 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 30:sc= 0.679 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -6.29! C(o=-6.3!,f=-14!) USER MOD Single : A 105 THR OG1 : rot 61:sc= 1.13 USER MOD Single : A 106 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.35) USER MOD Single : A 108 ASN : amide:sc= 1.12 K(o=1.1,f=-6.8!) USER MOD Single : A 109 THR OG1 : rot 78:sc= 0.0667 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-0.48) USER MOD Single : A 119 CYS SG : rot -110:sc= -0.949 USER MOD Single : A 120 HIS : no HD1:sc= -0.75 K(o=-0.75,f=0) USER MOD Single : A 129 THR OG1 : rot -34:sc= 1 USER MOD Single : A 135 HIS : no HD1:sc= -7.62! C(o=-7.6!,f=-5.7!) USER MOD Single : A 137 SER OG : rot -53:sc= 1.03 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -2.172 23.044 4.265 1.00 0.00 N ATOM 67 CA GLU A 8 -2.351 21.985 5.250 1.00 0.00 C ATOM 68 C GLU A 8 -2.464 20.623 4.571 1.00 0.00 C ATOM 69 O GLU A 8 -1.625 19.746 4.772 1.00 0.00 O ATOM 70 CB GLU A 8 -3.597 22.250 6.097 1.00 0.00 C ATOM 71 CG GLU A 8 -3.796 23.715 6.445 1.00 0.00 C ATOM 72 CD GLU A 8 -2.621 24.298 7.207 1.00 0.00 C ATOM 73 OE1 GLU A 8 -1.492 24.261 6.677 1.00 0.00 O ATOM 74 OE2 GLU A 8 -2.833 24.791 8.335 1.00 0.00 O ATOM 0 HA GLU A 8 -1.475 21.977 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.475 21.891 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.529 21.672 7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.949 24.285 5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.701 23.823 7.042 1.00 0.00 H new ATOM 81 N GLN A 9 -3.508 20.455 3.766 1.00 0.00 N ATOM 82 CA GLN A 9 -3.732 19.200 3.058 1.00 0.00 C ATOM 83 C GLN A 9 -2.421 18.637 2.521 1.00 0.00 C ATOM 84 O GLN A 9 -2.122 17.457 2.701 1.00 0.00 O ATOM 85 CB GLN A 9 -4.720 19.408 1.908 1.00 0.00 C ATOM 86 CG GLN A 9 -5.286 18.113 1.350 1.00 0.00 C ATOM 87 CD GLN A 9 -6.422 18.344 0.374 1.00 0.00 C ATOM 88 OE1 GLN A 9 -6.278 19.083 -0.600 1.00 0.00 O ATOM 89 NE2 GLN A 9 -7.562 17.712 0.630 1.00 0.00 N ATOM 0 H GLN A 9 -4.212 21.172 3.588 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.152 18.484 3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.542 20.034 2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.222 19.952 1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.491 17.559 0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.640 17.492 2.173 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.638 17.109 1.449 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.361 17.830 0.008 1.00 0.00 H new ATOM 98 N ALA A 10 -1.643 19.488 1.861 1.00 0.00 N ATOM 99 CA ALA A 10 -0.363 19.075 1.299 1.00 0.00 C ATOM 100 C ALA A 10 0.471 18.321 2.330 1.00 0.00 C ATOM 101 O ALA A 10 1.126 17.331 2.006 1.00 0.00 O ATOM 102 CB ALA A 10 0.402 20.284 0.782 1.00 0.00 C ATOM 0 H ALA A 10 -1.877 20.468 1.702 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.561 18.401 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.356 19.960 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.183 20.780 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.582 20.979 1.602 1.00 0.00 H new ATOM 108 N GLU A 11 0.442 18.797 3.571 1.00 0.00 N ATOM 109 CA GLU A 11 1.197 18.168 4.647 1.00 0.00 C ATOM 110 C GLU A 11 0.649 16.777 4.956 1.00 0.00 C ATOM 111 O GLU A 11 1.395 15.800 4.998 1.00 0.00 O ATOM 112 CB GLU A 11 1.154 19.036 5.906 1.00 0.00 C ATOM 113 CG GLU A 11 1.736 20.426 5.708 1.00 0.00 C ATOM 114 CD GLU A 11 1.994 21.143 7.019 1.00 0.00 C ATOM 115 OE1 GLU A 11 2.873 20.690 7.781 1.00 0.00 O ATOM 116 OE2 GLU A 11 1.316 22.158 7.282 1.00 0.00 O ATOM 0 H GLU A 11 -0.096 19.616 3.855 1.00 0.00 H new ATOM 0 HA GLU A 11 2.232 18.068 4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.120 19.128 6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.701 18.532 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.670 20.349 5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.051 21.020 5.102 1.00 0.00 H new ATOM 123 N ALA A 12 -0.660 16.698 5.172 1.00 0.00 N ATOM 124 CA ALA A 12 -1.309 15.429 5.475 1.00 0.00 C ATOM 125 C ALA A 12 -0.654 14.282 4.714 1.00 0.00 C ATOM 126 O ALA A 12 -0.061 13.386 5.314 1.00 0.00 O ATOM 127 CB ALA A 12 -2.793 15.504 5.147 1.00 0.00 C ATOM 0 H ALA A 12 -1.292 17.498 5.143 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.193 15.235 6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.265 14.549 5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.257 16.292 5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.921 15.725 4.087 1.00 0.00 H new ATOM 133 N GLN A 13 -0.767 14.316 3.390 1.00 0.00 N ATOM 134 CA GLN A 13 -0.186 13.277 2.547 1.00 0.00 C ATOM 135 C GLN A 13 1.258 12.994 2.949 1.00 0.00 C ATOM 136 O GLN A 13 1.579 11.904 3.425 1.00 0.00 O ATOM 137 CB GLN A 13 -0.247 13.691 1.076 1.00 0.00 C ATOM 138 CG GLN A 13 -1.661 13.774 0.525 1.00 0.00 C ATOM 139 CD GLN A 13 -1.751 14.625 -0.726 1.00 0.00 C ATOM 140 OE1 GLN A 13 -1.289 15.766 -0.749 1.00 0.00 O ATOM 141 NE2 GLN A 13 -2.348 14.073 -1.776 1.00 0.00 N ATOM 0 H GLN A 13 -1.255 15.051 2.878 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.767 12.365 2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.237 14.661 0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.324 12.977 0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.020 12.769 0.303 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.321 14.186 1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.717 13.124 -1.713 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.438 14.598 -2.646 1.00 0.00 H new ATOM 150 N LEU A 14 2.125 13.981 2.754 1.00 0.00 N ATOM 151 CA LEU A 14 3.536 13.839 3.096 1.00 0.00 C ATOM 152 C LEU A 14 3.703 13.104 4.423 1.00 0.00 C ATOM 153 O LEU A 14 4.446 12.127 4.513 1.00 0.00 O ATOM 154 CB LEU A 14 4.204 15.213 3.173 1.00 0.00 C ATOM 155 CG LEU A 14 5.598 15.247 3.801 1.00 0.00 C ATOM 156 CD1 LEU A 14 6.573 14.417 2.980 1.00 0.00 C ATOM 157 CD2 LEU A 14 6.090 16.681 3.928 1.00 0.00 C ATOM 0 H LEU A 14 1.876 14.889 2.361 1.00 0.00 H new ATOM 0 HA LEU A 14 4.017 13.252 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.272 15.619 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.555 15.879 3.741 1.00 0.00 H new ATOM 0 HG LEU A 14 5.537 14.815 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.560 14.453 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.228 13.384 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.631 14.819 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.083 16.686 4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.136 17.139 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.404 17.247 4.559 1.00 0.00 H new ATOM 169 N ALA A 15 3.006 13.580 5.449 1.00 0.00 N ATOM 170 CA ALA A 15 3.074 12.966 6.769 1.00 0.00 C ATOM 171 C ALA A 15 3.234 11.454 6.664 1.00 0.00 C ATOM 172 O ALA A 15 4.275 10.904 7.022 1.00 0.00 O ATOM 173 CB ALA A 15 1.832 13.313 7.577 1.00 0.00 C ATOM 0 H ALA A 15 2.388 14.389 5.391 1.00 0.00 H new ATOM 0 HA ALA A 15 3.950 13.362 7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.896 12.848 8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.763 14.395 7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.946 12.945 7.059 1.00 0.00 H new ATOM 179 N GLU A 16 2.195 10.786 6.171 1.00 0.00 N ATOM 180 CA GLU A 16 2.221 9.336 6.020 1.00 0.00 C ATOM 181 C GLU A 16 3.513 8.882 5.345 1.00 0.00 C ATOM 182 O GLU A 16 4.301 8.135 5.926 1.00 0.00 O ATOM 183 CB GLU A 16 1.015 8.863 5.207 1.00 0.00 C ATOM 184 CG GLU A 16 0.585 7.441 5.525 1.00 0.00 C ATOM 185 CD GLU A 16 0.595 7.148 7.013 1.00 0.00 C ATOM 186 OE1 GLU A 16 0.107 7.996 7.788 1.00 0.00 O ATOM 187 OE2 GLU A 16 1.091 6.070 7.401 1.00 0.00 O ATOM 0 H GLU A 16 1.326 11.226 5.870 1.00 0.00 H new ATOM 0 HA GLU A 16 2.175 8.893 7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.178 9.536 5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.253 8.933 4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.417 7.272 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.249 6.742 5.016 1.00 0.00 H new ATOM 194 N LEU A 17 3.723 9.340 4.116 1.00 0.00 N ATOM 195 CA LEU A 17 4.918 8.981 3.360 1.00 0.00 C ATOM 196 C LEU A 17 6.153 8.999 4.254 1.00 0.00 C ATOM 197 O LEU A 17 6.964 8.073 4.228 1.00 0.00 O ATOM 198 CB LEU A 17 5.110 9.943 2.186 1.00 0.00 C ATOM 199 CG LEU A 17 3.989 9.966 1.146 1.00 0.00 C ATOM 200 CD1 LEU A 17 4.184 11.120 0.176 1.00 0.00 C ATOM 201 CD2 LEU A 17 3.928 8.642 0.398 1.00 0.00 C ATOM 0 H LEU A 17 3.082 9.960 3.622 1.00 0.00 H new ATOM 0 HA LEU A 17 4.785 7.970 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.230 10.951 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.041 9.687 1.681 1.00 0.00 H new ATOM 0 HG LEU A 17 3.041 10.111 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.377 11.120 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.176 12.062 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.139 11.007 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.125 8.677 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.877 8.466 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.739 7.834 1.104 1.00 0.00 H new ATOM 213 N ASP A 18 6.290 10.058 5.045 1.00 0.00 N ATOM 214 CA ASP A 18 7.425 10.195 5.950 1.00 0.00 C ATOM 215 C ASP A 18 7.498 9.013 6.912 1.00 0.00 C ATOM 216 O ASP A 18 8.573 8.464 7.156 1.00 0.00 O ATOM 217 CB ASP A 18 7.322 11.503 6.736 1.00 0.00 C ATOM 218 CG ASP A 18 8.559 11.776 7.569 1.00 0.00 C ATOM 219 OD1 ASP A 18 9.672 11.458 7.101 1.00 0.00 O ATOM 220 OD2 ASP A 18 8.414 12.309 8.689 1.00 0.00 O ATOM 0 H ASP A 18 5.629 10.834 5.078 1.00 0.00 H new ATOM 0 HA ASP A 18 8.336 10.210 5.352 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.165 12.329 6.042 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.449 11.464 7.388 1.00 0.00 H new ATOM 225 N LEU A 19 6.349 8.627 7.456 1.00 0.00 N ATOM 226 CA LEU A 19 6.283 7.511 8.393 1.00 0.00 C ATOM 227 C LEU A 19 6.637 6.198 7.701 1.00 0.00 C ATOM 228 O LEU A 19 7.418 5.401 8.222 1.00 0.00 O ATOM 229 CB LEU A 19 4.885 7.417 9.006 1.00 0.00 C ATOM 230 CG LEU A 19 4.513 6.069 9.625 1.00 0.00 C ATOM 231 CD1 LEU A 19 5.496 5.696 10.724 1.00 0.00 C ATOM 232 CD2 LEU A 19 3.092 6.105 10.167 1.00 0.00 C ATOM 0 H LEU A 19 5.451 9.070 7.264 1.00 0.00 H new ATOM 0 HA LEU A 19 7.009 7.690 9.186 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.795 8.184 9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.154 7.653 8.232 1.00 0.00 H new ATOM 0 HG LEU A 19 4.564 5.307 8.847 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.215 4.734 11.152 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.500 5.628 10.306 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.478 6.459 11.502 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.845 5.137 10.604 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.013 6.879 10.931 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.398 6.325 9.355 1.00 0.00 H new ATOM 244 N LEU A 20 6.059 5.981 6.525 1.00 0.00 N ATOM 245 CA LEU A 20 6.314 4.765 5.760 1.00 0.00 C ATOM 246 C LEU A 20 7.808 4.582 5.512 1.00 0.00 C ATOM 247 O LEU A 20 8.411 3.616 5.979 1.00 0.00 O ATOM 248 CB LEU A 20 5.567 4.812 4.426 1.00 0.00 C ATOM 249 CG LEU A 20 4.044 4.920 4.514 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.490 5.654 3.303 1.00 0.00 C ATOM 251 CD2 LEU A 20 3.418 3.538 4.634 1.00 0.00 C ATOM 0 H LEU A 20 5.411 6.631 6.080 1.00 0.00 H new ATOM 0 HA LEU A 20 5.953 3.917 6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.939 5.662 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.816 3.914 3.861 1.00 0.00 H new ATOM 0 HG LEU A 20 3.790 5.491 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.405 5.721 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.914 6.657 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.754 5.110 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.334 3.634 4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.681 2.942 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.790 3.047 5.533 1.00 0.00 H new ATOM 263 N ALA A 21 8.400 5.517 4.777 1.00 0.00 N ATOM 264 CA ALA A 21 9.824 5.461 4.471 1.00 0.00 C ATOM 265 C ALA A 21 10.618 4.912 5.652 1.00 0.00 C ATOM 266 O ALA A 21 11.465 4.034 5.489 1.00 0.00 O ATOM 267 CB ALA A 21 10.336 6.840 4.084 1.00 0.00 C ATOM 0 H ALA A 21 7.915 6.323 4.382 1.00 0.00 H new ATOM 0 HA ALA A 21 9.962 4.785 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.401 6.783 3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.797 7.195 3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.177 7.532 4.911 1.00 0.00 H new ATOM 273 N SER A 22 10.339 5.436 6.841 1.00 0.00 N ATOM 274 CA SER A 22 11.031 5.002 8.049 1.00 0.00 C ATOM 275 C SER A 22 10.680 3.556 8.386 1.00 0.00 C ATOM 276 O SER A 22 11.552 2.757 8.723 1.00 0.00 O ATOM 277 CB SER A 22 10.671 5.913 9.224 1.00 0.00 C ATOM 278 OG SER A 22 11.630 5.810 10.262 1.00 0.00 O ATOM 0 H SER A 22 9.639 6.162 6.994 1.00 0.00 H new ATOM 0 HA SER A 22 12.104 5.064 7.866 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.610 6.946 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.686 5.646 9.607 1.00 0.00 H new ATOM 0 HG SER A 22 11.378 6.403 11.000 1.00 0.00 H new ATOM 284 N MET A 23 9.395 3.228 8.292 1.00 0.00 N ATOM 285 CA MET A 23 8.928 1.879 8.585 1.00 0.00 C ATOM 286 C MET A 23 9.674 0.850 7.742 1.00 0.00 C ATOM 287 O MET A 23 10.043 -0.219 8.230 1.00 0.00 O ATOM 288 CB MET A 23 7.423 1.770 8.331 1.00 0.00 C ATOM 289 CG MET A 23 6.581 2.566 9.315 1.00 0.00 C ATOM 290 SD MET A 23 6.304 1.684 10.863 1.00 0.00 S ATOM 291 CE MET A 23 5.231 0.360 10.311 1.00 0.00 C ATOM 0 H MET A 23 8.660 3.878 8.015 1.00 0.00 H new ATOM 0 HA MET A 23 9.127 1.673 9.637 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.208 2.115 7.320 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.130 0.721 8.380 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.074 3.515 9.525 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.620 2.801 8.858 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.256 0.459 10.788 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.113 0.415 9.229 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.671 -0.601 10.580 1.00 0.00 H new ATOM 301 N PHE A 24 9.892 1.178 6.473 1.00 0.00 N ATOM 302 CA PHE A 24 10.593 0.281 5.561 1.00 0.00 C ATOM 303 C PHE A 24 12.029 0.746 5.338 1.00 0.00 C ATOM 304 O PHE A 24 12.298 1.661 4.558 1.00 0.00 O ATOM 305 CB PHE A 24 9.856 0.203 4.222 1.00 0.00 C ATOM 306 CG PHE A 24 8.389 -0.084 4.362 1.00 0.00 C ATOM 307 CD1 PHE A 24 7.937 -1.381 4.542 1.00 0.00 C ATOM 308 CD2 PHE A 24 7.461 0.944 4.312 1.00 0.00 C ATOM 309 CE1 PHE A 24 6.586 -1.648 4.671 1.00 0.00 C ATOM 310 CE2 PHE A 24 6.110 0.683 4.441 1.00 0.00 C ATOM 311 CZ PHE A 24 5.672 -0.614 4.619 1.00 0.00 C ATOM 0 H PHE A 24 9.594 2.058 6.053 1.00 0.00 H new ATOM 0 HA PHE A 24 10.617 -0.711 6.013 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.985 1.146 3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.313 -0.574 3.609 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.648 -2.193 4.582 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.797 1.961 4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.246 -2.663 4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.397 1.493 4.403 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.616 -0.820 4.717 1.00 0.00 H new ATOM 357 N ASN A 28 14.472 -4.984 0.250 1.00 0.00 N ATOM 358 CA ASN A 28 13.369 -5.167 -0.686 1.00 0.00 C ATOM 359 C ASN A 28 12.026 -4.980 0.014 1.00 0.00 C ATOM 360 O ASN A 28 11.094 -5.756 -0.194 1.00 0.00 O ATOM 361 CB ASN A 28 13.436 -6.557 -1.321 1.00 0.00 C ATOM 362 CG ASN A 28 14.862 -7.021 -1.547 1.00 0.00 C ATOM 363 OD1 ASN A 28 15.675 -6.304 -2.133 1.00 0.00 O ATOM 364 ND2 ASN A 28 15.173 -8.225 -1.082 1.00 0.00 N ATOM 0 HA ASN A 28 13.460 -4.413 -1.468 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.922 -7.272 -0.679 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.906 -6.544 -2.273 1.00 0.00 H new ATOM 0 HD21 ASN A 28 16.117 -8.591 -1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.468 -8.784 -0.603 1.00 0.00 H new ATOM 371 N GLU A 29 11.936 -3.945 0.843 1.00 0.00 N ATOM 372 CA GLU A 29 10.707 -3.657 1.573 1.00 0.00 C ATOM 373 C GLU A 29 9.817 -2.700 0.785 1.00 0.00 C ATOM 374 O GLU A 29 8.714 -3.059 0.370 1.00 0.00 O ATOM 375 CB GLU A 29 11.030 -3.058 2.944 1.00 0.00 C ATOM 376 CG GLU A 29 11.459 -4.090 3.973 1.00 0.00 C ATOM 377 CD GLU A 29 10.299 -4.922 4.484 1.00 0.00 C ATOM 378 OE1 GLU A 29 9.208 -4.352 4.696 1.00 0.00 O ATOM 379 OE2 GLU A 29 10.482 -6.143 4.671 1.00 0.00 O ATOM 0 H GLU A 29 12.698 -3.293 1.026 1.00 0.00 H new ATOM 0 HA GLU A 29 10.169 -4.595 1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.823 -2.319 2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.152 -2.529 3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.207 -4.749 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.936 -3.584 4.812 1.00 0.00 H new ATOM 386 N LEU A 30 10.304 -1.481 0.582 1.00 0.00 N ATOM 387 CA LEU A 30 9.554 -0.470 -0.156 1.00 0.00 C ATOM 388 C LEU A 30 10.448 0.242 -1.166 1.00 0.00 C ATOM 389 O LEU A 30 11.602 0.556 -0.874 1.00 0.00 O ATOM 390 CB LEU A 30 8.945 0.548 0.810 1.00 0.00 C ATOM 391 CG LEU A 30 8.553 1.896 0.205 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.379 2.499 0.960 1.00 0.00 C ATOM 393 CD2 LEU A 30 9.740 2.849 0.212 1.00 0.00 C ATOM 0 H LEU A 30 11.215 -1.168 0.918 1.00 0.00 H new ATOM 0 HA LEU A 30 8.753 -0.972 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.058 0.104 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.658 0.727 1.615 1.00 0.00 H new ATOM 0 HG LEU A 30 8.249 1.734 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.114 3.458 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.525 1.824 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.655 2.647 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.443 3.804 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.075 3.005 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.553 2.421 -0.374 1.00 0.00 H new ATOM 405 N ILE A 31 9.906 0.495 -2.352 1.00 0.00 N ATOM 406 CA ILE A 31 10.654 1.173 -3.404 1.00 0.00 C ATOM 407 C ILE A 31 9.837 2.305 -4.017 1.00 0.00 C ATOM 408 O ILE A 31 8.743 2.084 -4.538 1.00 0.00 O ATOM 409 CB ILE A 31 11.072 0.195 -4.518 1.00 0.00 C ATOM 410 CG1 ILE A 31 11.955 -0.916 -3.945 1.00 0.00 C ATOM 411 CG2 ILE A 31 11.799 0.937 -5.629 1.00 0.00 C ATOM 412 CD1 ILE A 31 11.172 -2.077 -3.375 1.00 0.00 C ATOM 0 H ILE A 31 8.952 0.241 -2.609 1.00 0.00 H new ATOM 0 HA ILE A 31 11.550 1.585 -2.939 1.00 0.00 H new ATOM 0 HB ILE A 31 10.175 -0.259 -4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.616 -1.284 -4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.590 -0.498 -3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 31 12.088 0.232 -6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.140 1.696 -6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.691 1.416 -5.224 1.00 0.00 H new ATOM 0 HD11 ILE A 31 11.862 -2.826 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.531 -1.722 -2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.558 -2.521 -4.158 1.00 0.00 H new ATOM 424 N VAL A 32 10.375 3.518 -3.954 1.00 0.00 N ATOM 425 CA VAL A 32 9.697 4.686 -4.506 1.00 0.00 C ATOM 426 C VAL A 32 10.296 5.084 -5.850 1.00 0.00 C ATOM 427 O VAL A 32 11.283 5.816 -5.909 1.00 0.00 O ATOM 428 CB VAL A 32 9.776 5.887 -3.545 1.00 0.00 C ATOM 429 CG1 VAL A 32 9.292 7.154 -4.233 1.00 0.00 C ATOM 430 CG2 VAL A 32 8.969 5.614 -2.284 1.00 0.00 C ATOM 0 H VAL A 32 11.279 3.719 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 32 8.652 4.410 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 32 10.817 6.033 -3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.355 7.992 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.916 7.356 -5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.258 7.023 -4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.036 6.473 -1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.926 5.441 -2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.366 4.732 -1.782 1.00 0.00 H new ATOM 440 N ASN A 33 9.692 4.597 -6.929 1.00 0.00 N ATOM 441 CA ASN A 33 10.165 4.902 -8.274 1.00 0.00 C ATOM 442 C ASN A 33 10.103 6.402 -8.545 1.00 0.00 C ATOM 443 O ASN A 33 11.094 7.012 -8.948 1.00 0.00 O ATOM 444 CB ASN A 33 9.332 4.150 -9.313 1.00 0.00 C ATOM 445 CG ASN A 33 9.221 2.669 -9.004 1.00 0.00 C ATOM 446 OD1 ASN A 33 10.092 1.880 -9.372 1.00 0.00 O ATOM 447 ND2 ASN A 33 8.147 2.285 -8.325 1.00 0.00 N ATOM 0 H ASN A 33 8.874 3.989 -6.898 1.00 0.00 H new ATOM 0 HA ASN A 33 11.204 4.580 -8.349 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.333 4.585 -9.358 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.781 4.280 -10.298 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.018 1.301 -8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.450 2.974 -8.040 1.00 0.00 H new ATOM 454 N ASP A 34 8.933 6.990 -8.320 1.00 0.00 N ATOM 455 CA ASP A 34 8.742 8.419 -8.538 1.00 0.00 C ATOM 456 C ASP A 34 9.397 9.232 -7.425 1.00 0.00 C ATOM 457 O ASP A 34 9.237 8.925 -6.244 1.00 0.00 O ATOM 458 CB ASP A 34 7.250 8.750 -8.617 1.00 0.00 C ATOM 459 CG ASP A 34 6.945 10.161 -8.155 1.00 0.00 C ATOM 460 OD1 ASP A 34 7.053 10.423 -6.938 1.00 0.00 O ATOM 461 OD2 ASP A 34 6.598 11.003 -9.009 1.00 0.00 O ATOM 0 H ASP A 34 8.103 6.499 -7.987 1.00 0.00 H new ATOM 0 HA ASP A 34 9.216 8.683 -9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.907 8.625 -9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.691 8.042 -8.006 1.00 0.00 H new ATOM 466 N GLN A 35 10.135 10.267 -7.812 1.00 0.00 N ATOM 467 CA GLN A 35 10.816 11.122 -6.846 1.00 0.00 C ATOM 468 C GLN A 35 10.409 12.581 -7.028 1.00 0.00 C ATOM 469 O GLN A 35 10.321 13.337 -6.060 1.00 0.00 O ATOM 470 CB GLN A 35 12.332 10.981 -6.989 1.00 0.00 C ATOM 471 CG GLN A 35 12.893 9.735 -6.324 1.00 0.00 C ATOM 472 CD GLN A 35 12.653 9.713 -4.827 1.00 0.00 C ATOM 473 OE1 GLN A 35 12.834 10.722 -4.143 1.00 0.00 O ATOM 474 NE2 GLN A 35 12.244 8.561 -4.309 1.00 0.00 N ATOM 0 H GLN A 35 10.277 10.534 -8.786 1.00 0.00 H new ATOM 0 HA GLN A 35 10.521 10.804 -5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.589 10.964 -8.048 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.812 11.860 -6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.439 8.852 -6.774 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.964 9.676 -6.517 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.107 7.750 -4.913 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.067 8.487 -3.307 1.00 0.00 H new ATOM 483 N LEU A 36 10.162 12.970 -8.274 1.00 0.00 N ATOM 484 CA LEU A 36 9.765 14.339 -8.584 1.00 0.00 C ATOM 485 C LEU A 36 8.517 14.734 -7.800 1.00 0.00 C ATOM 486 O LEU A 36 8.556 15.641 -6.969 1.00 0.00 O ATOM 487 CB LEU A 36 9.508 14.489 -10.084 1.00 0.00 C ATOM 488 CG LEU A 36 9.070 15.876 -10.555 1.00 0.00 C ATOM 489 CD1 LEU A 36 10.190 16.886 -10.353 1.00 0.00 C ATOM 490 CD2 LEU A 36 8.644 15.835 -12.015 1.00 0.00 C ATOM 0 H LEU A 36 10.230 12.357 -9.086 1.00 0.00 H new ATOM 0 HA LEU A 36 10.580 15.003 -8.294 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.419 14.217 -10.617 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.742 13.770 -10.375 1.00 0.00 H new ATOM 0 HG LEU A 36 8.214 16.188 -9.957 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.861 17.868 -10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.448 16.937 -9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.065 16.578 -10.925 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.336 16.831 -12.332 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.481 15.501 -12.629 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.810 15.143 -12.131 1.00 0.00 H new ATOM 502 N ALA A 37 7.413 14.046 -8.070 1.00 0.00 N ATOM 503 CA ALA A 37 6.155 14.322 -7.387 1.00 0.00 C ATOM 504 C ALA A 37 6.390 14.656 -5.918 1.00 0.00 C ATOM 505 O ALA A 37 5.955 15.700 -5.431 1.00 0.00 O ATOM 506 CB ALA A 37 5.213 13.135 -7.516 1.00 0.00 C ATOM 0 H ALA A 37 7.364 13.293 -8.757 1.00 0.00 H new ATOM 0 HA ALA A 37 5.696 15.189 -7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.278 13.355 -7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.011 12.944 -8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.674 12.254 -7.069 1.00 0.00 H new ATOM 512 N VAL A 38 7.080 13.763 -5.215 1.00 0.00 N ATOM 513 CA VAL A 38 7.373 13.964 -3.801 1.00 0.00 C ATOM 514 C VAL A 38 8.162 15.250 -3.580 1.00 0.00 C ATOM 515 O VAL A 38 7.747 16.121 -2.816 1.00 0.00 O ATOM 516 CB VAL A 38 8.168 12.780 -3.219 1.00 0.00 C ATOM 517 CG1 VAL A 38 8.445 12.999 -1.740 1.00 0.00 C ATOM 518 CG2 VAL A 38 7.420 11.475 -3.443 1.00 0.00 C ATOM 0 H VAL A 38 7.446 12.893 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 38 6.415 14.037 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 38 9.125 12.717 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.007 12.153 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.025 13.912 -1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.501 13.089 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.996 10.649 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.448 11.524 -2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.279 11.315 -4.512 1.00 0.00 H new ATOM 528 N ALA A 39 9.301 15.362 -4.255 1.00 0.00 N ATOM 529 CA ALA A 39 10.147 16.543 -4.135 1.00 0.00 C ATOM 530 C ALA A 39 9.328 17.821 -4.274 1.00 0.00 C ATOM 531 O ALA A 39 9.552 18.793 -3.553 1.00 0.00 O ATOM 532 CB ALA A 39 11.255 16.507 -5.178 1.00 0.00 C ATOM 0 H ALA A 39 9.659 14.649 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 39 10.597 16.538 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.879 17.395 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.865 15.616 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.815 16.484 -6.175 1.00 0.00 H new ATOM 538 N GLU A 40 8.380 17.813 -5.206 1.00 0.00 N ATOM 539 CA GLU A 40 7.529 18.974 -5.439 1.00 0.00 C ATOM 540 C GLU A 40 6.582 19.200 -4.265 1.00 0.00 C ATOM 541 O GLU A 40 6.392 20.330 -3.813 1.00 0.00 O ATOM 542 CB GLU A 40 6.726 18.795 -6.729 1.00 0.00 C ATOM 543 CG GLU A 40 7.474 19.233 -7.978 1.00 0.00 C ATOM 544 CD GLU A 40 8.192 20.556 -7.794 1.00 0.00 C ATOM 545 OE1 GLU A 40 7.506 21.597 -7.718 1.00 0.00 O ATOM 546 OE2 GLU A 40 9.439 20.550 -7.727 1.00 0.00 O ATOM 0 H GLU A 40 8.182 17.016 -5.811 1.00 0.00 H new ATOM 0 HA GLU A 40 8.172 19.849 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.448 17.746 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.800 19.364 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.198 18.466 -8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.771 19.317 -8.807 1.00 0.00 H new ATOM 553 N LEU A 41 5.989 18.117 -3.774 1.00 0.00 N ATOM 554 CA LEU A 41 5.060 18.194 -2.652 1.00 0.00 C ATOM 555 C LEU A 41 5.719 18.855 -1.445 1.00 0.00 C ATOM 556 O LEU A 41 5.186 19.809 -0.878 1.00 0.00 O ATOM 557 CB LEU A 41 4.566 16.797 -2.276 1.00 0.00 C ATOM 558 CG LEU A 41 3.489 16.735 -1.192 1.00 0.00 C ATOM 559 CD1 LEU A 41 2.204 17.387 -1.678 1.00 0.00 C ATOM 560 CD2 LEU A 41 3.234 15.294 -0.775 1.00 0.00 C ATOM 0 H LEU A 41 6.135 17.175 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 41 4.209 18.803 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.177 16.317 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.421 16.208 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 41 3.845 17.286 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.449 17.333 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.397 18.431 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.844 16.865 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.465 15.269 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.900 14.719 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.154 14.860 -0.384 1.00 0.00 H new ATOM 572 N LYS A 42 6.882 18.343 -1.058 1.00 0.00 N ATOM 573 CA LYS A 42 7.617 18.884 0.079 1.00 0.00 C ATOM 574 C LYS A 42 7.939 20.360 -0.134 1.00 0.00 C ATOM 575 O LYS A 42 7.732 21.185 0.756 1.00 0.00 O ATOM 576 CB LYS A 42 8.910 18.096 0.299 1.00 0.00 C ATOM 577 CG LYS A 42 8.740 16.888 1.204 1.00 0.00 C ATOM 578 CD LYS A 42 9.724 15.785 0.853 1.00 0.00 C ATOM 579 CE LYS A 42 10.068 14.938 2.068 1.00 0.00 C ATOM 580 NZ LYS A 42 10.970 15.659 3.009 1.00 0.00 N ATOM 0 H LYS A 42 7.337 17.553 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 42 6.987 18.791 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.293 17.765 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.661 18.759 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.883 17.187 2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.722 16.509 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.299 15.151 0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.634 16.224 0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.151 14.658 2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.546 14.014 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.370 14.984 3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.741 16.109 2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.430 16.388 3.518 1.00 0.00 H new ATOM 594 N ASP A 43 8.444 20.686 -1.319 1.00 0.00 N ATOM 595 CA ASP A 43 8.791 22.063 -1.649 1.00 0.00 C ATOM 596 C ASP A 43 7.566 22.968 -1.565 1.00 0.00 C ATOM 597 O ASP A 43 7.651 24.102 -1.092 1.00 0.00 O ATOM 598 CB ASP A 43 9.399 22.136 -3.051 1.00 0.00 C ATOM 599 CG ASP A 43 10.337 23.316 -3.215 1.00 0.00 C ATOM 600 OD1 ASP A 43 10.830 23.829 -2.188 1.00 0.00 O ATOM 601 OD2 ASP A 43 10.576 23.728 -4.369 1.00 0.00 O ATOM 0 H ASP A 43 8.622 20.015 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 43 9.527 22.410 -0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.941 21.213 -3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.599 22.207 -3.788 1.00 0.00 H new ATOM 606 N CYS A 44 6.429 22.460 -2.028 1.00 0.00 N ATOM 607 CA CYS A 44 5.187 23.224 -2.007 1.00 0.00 C ATOM 608 C CYS A 44 4.884 23.732 -0.601 1.00 0.00 C ATOM 609 O CYS A 44 4.604 24.914 -0.405 1.00 0.00 O ATOM 610 CB CYS A 44 4.027 22.364 -2.512 1.00 0.00 C ATOM 611 SG CYS A 44 4.079 22.024 -4.288 1.00 0.00 S ATOM 0 H CYS A 44 6.342 21.523 -2.422 1.00 0.00 H new ATOM 0 HA CYS A 44 5.307 24.084 -2.666 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.028 21.417 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.088 22.865 -2.276 1.00 0.00 H new ATOM 0 HG CYS A 44 5.070 21.223 -4.548 1.00 0.00 H new ATOM 617 N ILE A 45 4.942 22.830 0.373 1.00 0.00 N ATOM 618 CA ILE A 45 4.673 23.187 1.760 1.00 0.00 C ATOM 619 C ILE A 45 5.599 24.304 2.229 1.00 0.00 C ATOM 620 O ILE A 45 5.146 25.312 2.771 1.00 0.00 O ATOM 621 CB ILE A 45 4.836 21.974 2.695 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.844 20.873 2.316 1.00 0.00 C ATOM 623 CG2 ILE A 45 4.642 22.393 4.145 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.298 19.487 2.714 1.00 0.00 C ATOM 0 H ILE A 45 5.173 21.847 0.227 1.00 0.00 H new ATOM 0 HA ILE A 45 3.640 23.532 1.803 1.00 0.00 H new ATOM 0 HB ILE A 45 5.846 21.581 2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.884 21.082 2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.681 20.898 1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.760 21.525 4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.384 23.147 4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.642 22.808 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.546 18.758 2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.243 19.258 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.434 19.445 3.795 1.00 0.00 H new ATOM 636 N GLU A 46 6.898 24.118 2.015 1.00 0.00 N ATOM 637 CA GLU A 46 7.887 25.112 2.415 1.00 0.00 C ATOM 638 C GLU A 46 7.614 26.454 1.742 1.00 0.00 C ATOM 639 O GLU A 46 7.581 27.495 2.398 1.00 0.00 O ATOM 640 CB GLU A 46 9.297 24.631 2.064 1.00 0.00 C ATOM 641 CG GLU A 46 9.796 23.507 2.957 1.00 0.00 C ATOM 642 CD GLU A 46 10.499 24.017 4.200 1.00 0.00 C ATOM 643 OE1 GLU A 46 11.634 24.521 4.074 1.00 0.00 O ATOM 644 OE2 GLU A 46 9.913 23.912 5.298 1.00 0.00 O ATOM 0 H GLU A 46 7.289 23.289 1.567 1.00 0.00 H new ATOM 0 HA GLU A 46 7.814 25.245 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.309 24.293 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.987 25.472 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.954 22.881 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.480 22.875 2.391 1.00 0.00 H new ATOM 783 N SER A 55 2.126 15.265 -11.385 1.00 0.00 N ATOM 784 CA SER A 55 2.363 13.828 -11.311 1.00 0.00 C ATOM 785 C SER A 55 2.034 13.295 -9.919 1.00 0.00 C ATOM 786 O SER A 55 2.436 13.872 -8.909 1.00 0.00 O ATOM 787 CB SER A 55 3.818 13.510 -11.660 1.00 0.00 C ATOM 788 OG SER A 55 3.987 13.365 -13.059 1.00 0.00 O ATOM 0 HA SER A 55 1.709 13.339 -12.033 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.466 14.306 -11.293 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.124 12.593 -11.157 1.00 0.00 H new ATOM 0 HG SER A 55 4.926 13.164 -13.256 1.00 0.00 H new ATOM 794 N LYS A 56 1.299 12.188 -9.875 1.00 0.00 N ATOM 795 CA LYS A 56 0.915 11.574 -8.610 1.00 0.00 C ATOM 796 C LYS A 56 2.080 10.794 -8.009 1.00 0.00 C ATOM 797 O LYS A 56 2.878 10.196 -8.730 1.00 0.00 O ATOM 798 CB LYS A 56 -0.284 10.646 -8.813 1.00 0.00 C ATOM 799 CG LYS A 56 -1.625 11.341 -8.652 1.00 0.00 C ATOM 800 CD LYS A 56 -2.765 10.481 -9.173 1.00 0.00 C ATOM 801 CE LYS A 56 -3.035 10.748 -10.646 1.00 0.00 C ATOM 802 NZ LYS A 56 -1.901 10.309 -11.506 1.00 0.00 N ATOM 0 H LYS A 56 0.958 11.698 -10.702 1.00 0.00 H new ATOM 0 HA LYS A 56 0.637 12.369 -7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.229 10.207 -9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.222 9.824 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.793 11.571 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.610 12.290 -9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.522 9.428 -9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.667 10.681 -8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.943 10.227 -10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.213 11.813 -10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.238 10.170 -12.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.157 11.036 -11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.515 9.414 -11.142 1.00 0.00 H new ATOM 816 N VAL A 57 2.170 10.802 -6.682 1.00 0.00 N ATOM 817 CA VAL A 57 3.235 10.092 -5.984 1.00 0.00 C ATOM 818 C VAL A 57 3.115 8.586 -6.184 1.00 0.00 C ATOM 819 O VAL A 57 2.237 7.941 -5.609 1.00 0.00 O ATOM 820 CB VAL A 57 3.221 10.402 -4.475 1.00 0.00 C ATOM 821 CG1 VAL A 57 4.319 9.629 -3.761 1.00 0.00 C ATOM 822 CG2 VAL A 57 3.370 11.897 -4.238 1.00 0.00 C ATOM 0 H VAL A 57 1.518 11.292 -6.070 1.00 0.00 H new ATOM 0 HA VAL A 57 4.177 10.437 -6.409 1.00 0.00 H new ATOM 0 HB VAL A 57 2.262 10.086 -4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.294 9.861 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.163 8.560 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.289 9.912 -4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.358 12.099 -3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.314 12.240 -4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.545 12.425 -4.716 1.00 0.00 H new ATOM 832 N TYR A 58 4.002 8.030 -7.001 1.00 0.00 N ATOM 833 CA TYR A 58 3.994 6.598 -7.278 1.00 0.00 C ATOM 834 C TYR A 58 5.063 5.879 -6.461 1.00 0.00 C ATOM 835 O TYR A 58 6.239 6.242 -6.498 1.00 0.00 O ATOM 836 CB TYR A 58 4.221 6.345 -8.769 1.00 0.00 C ATOM 837 CG TYR A 58 4.278 4.879 -9.133 1.00 0.00 C ATOM 838 CD1 TYR A 58 3.293 3.997 -8.705 1.00 0.00 C ATOM 839 CD2 TYR A 58 5.319 4.374 -9.904 1.00 0.00 C ATOM 840 CE1 TYR A 58 3.343 2.656 -9.034 1.00 0.00 C ATOM 841 CE2 TYR A 58 5.375 3.035 -10.239 1.00 0.00 C ATOM 842 CZ TYR A 58 4.385 2.180 -9.802 1.00 0.00 C ATOM 843 OH TYR A 58 4.438 0.846 -10.132 1.00 0.00 O ATOM 0 H TYR A 58 4.736 8.549 -7.483 1.00 0.00 H new ATOM 0 HA TYR A 58 3.018 6.204 -6.993 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.420 6.820 -9.336 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.153 6.822 -9.072 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.474 4.366 -8.105 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.097 5.040 -10.247 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.570 1.984 -8.692 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.190 2.660 -10.840 1.00 0.00 H new ATOM 0 HH TYR A 58 5.234 0.675 -10.677 1.00 0.00 H new ATOM 853 N PHE A 59 4.645 4.856 -5.722 1.00 0.00 N ATOM 854 CA PHE A 59 5.565 4.085 -4.895 1.00 0.00 C ATOM 855 C PHE A 59 4.998 2.701 -4.595 1.00 0.00 C ATOM 856 O PHE A 59 3.862 2.568 -4.137 1.00 0.00 O ATOM 857 CB PHE A 59 5.851 4.825 -3.586 1.00 0.00 C ATOM 858 CG PHE A 59 4.649 4.950 -2.694 1.00 0.00 C ATOM 859 CD1 PHE A 59 3.630 5.836 -3.003 1.00 0.00 C ATOM 860 CD2 PHE A 59 4.539 4.182 -1.546 1.00 0.00 C ATOM 861 CE1 PHE A 59 2.523 5.954 -2.183 1.00 0.00 C ATOM 862 CE2 PHE A 59 3.435 4.295 -0.722 1.00 0.00 C ATOM 863 CZ PHE A 59 2.425 5.182 -1.042 1.00 0.00 C ATOM 0 H PHE A 59 3.675 4.542 -5.679 1.00 0.00 H new ATOM 0 HA PHE A 59 6.497 3.965 -5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.641 4.302 -3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.228 5.821 -3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.701 6.441 -3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.325 3.487 -1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.736 6.649 -2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.362 3.691 0.170 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.560 5.271 -0.401 1.00 0.00 H new ATOM 873 N THR A 60 5.796 1.670 -4.859 1.00 0.00 N ATOM 874 CA THR A 60 5.374 0.296 -4.620 1.00 0.00 C ATOM 875 C THR A 60 5.865 -0.203 -3.266 1.00 0.00 C ATOM 876 O THR A 60 6.899 0.243 -2.768 1.00 0.00 O ATOM 877 CB THR A 60 5.890 -0.649 -5.721 1.00 0.00 C ATOM 878 OG1 THR A 60 5.442 -0.199 -7.004 1.00 0.00 O ATOM 879 CG2 THR A 60 5.409 -2.073 -5.481 1.00 0.00 C ATOM 0 H THR A 60 6.738 1.762 -5.239 1.00 0.00 H new ATOM 0 HA THR A 60 4.284 0.294 -4.631 1.00 0.00 H new ATOM 0 HB THR A 60 6.980 -0.640 -5.694 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.776 -0.805 -7.698 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.786 -2.722 -6.271 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.777 -2.424 -4.517 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.319 -2.094 -5.483 1.00 0.00 H new ATOM 887 N ILE A 61 5.118 -1.130 -2.676 1.00 0.00 N ATOM 888 CA ILE A 61 5.480 -1.690 -1.379 1.00 0.00 C ATOM 889 C ILE A 61 5.581 -3.210 -1.446 1.00 0.00 C ATOM 890 O ILE A 61 4.595 -3.897 -1.709 1.00 0.00 O ATOM 891 CB ILE A 61 4.459 -1.302 -0.294 1.00 0.00 C ATOM 892 CG1 ILE A 61 4.423 0.218 -0.116 1.00 0.00 C ATOM 893 CG2 ILE A 61 4.798 -1.987 1.022 1.00 0.00 C ATOM 894 CD1 ILE A 61 3.591 0.668 1.064 1.00 0.00 C ATOM 0 H ILE A 61 4.259 -1.509 -3.075 1.00 0.00 H new ATOM 0 HA ILE A 61 6.453 -1.275 -1.116 1.00 0.00 H new ATOM 0 HB ILE A 61 3.471 -1.635 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.442 0.586 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.027 0.673 -1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.067 -1.703 1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.777 -3.068 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.793 -1.681 1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.611 1.756 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.563 0.331 0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.999 0.242 1.981 1.00 0.00 H new ATOM 906 N ASN A 62 6.781 -3.729 -1.206 1.00 0.00 N ATOM 907 CA ASN A 62 7.011 -5.168 -1.237 1.00 0.00 C ATOM 908 C ASN A 62 6.853 -5.775 0.154 1.00 0.00 C ATOM 909 O ASN A 62 7.495 -5.339 1.109 1.00 0.00 O ATOM 910 CB ASN A 62 8.408 -5.471 -1.782 1.00 0.00 C ATOM 911 CG ASN A 62 8.546 -5.113 -3.249 1.00 0.00 C ATOM 912 OD1 ASN A 62 7.684 -5.442 -4.064 1.00 0.00 O ATOM 913 ND2 ASN A 62 9.636 -4.436 -3.593 1.00 0.00 N ATOM 0 H ASN A 62 7.609 -3.174 -0.988 1.00 0.00 H new ATOM 0 HA ASN A 62 6.266 -5.615 -1.896 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.148 -4.917 -1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.626 -6.530 -1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.784 -4.168 -4.566 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.325 -4.184 -2.884 1.00 0.00 H new ATOM 920 N MET A 63 5.995 -6.784 0.259 1.00 0.00 N ATOM 921 CA MET A 63 5.754 -7.452 1.533 1.00 0.00 C ATOM 922 C MET A 63 5.827 -8.968 1.374 1.00 0.00 C ATOM 923 O MET A 63 4.996 -9.570 0.695 1.00 0.00 O ATOM 924 CB MET A 63 4.388 -7.051 2.094 1.00 0.00 C ATOM 925 CG MET A 63 4.238 -5.555 2.316 1.00 0.00 C ATOM 926 SD MET A 63 2.514 -5.035 2.402 1.00 0.00 S ATOM 927 CE MET A 63 1.873 -6.186 3.616 1.00 0.00 C ATOM 0 H MET A 63 5.455 -7.157 -0.522 1.00 0.00 H new ATOM 0 HA MET A 63 6.531 -7.140 2.231 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.610 -7.388 1.409 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.227 -7.568 3.040 1.00 0.00 H new ATOM 0 HG2 MET A 63 4.744 -5.276 3.240 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.735 -5.020 1.507 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.224 -5.656 4.313 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.303 -6.967 3.112 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.701 -6.637 4.163 1.00 0.00 H new ATOM 937 N ASN A 64 6.825 -9.577 2.005 1.00 0.00 N ATOM 938 CA ASN A 64 7.006 -11.023 1.933 1.00 0.00 C ATOM 939 C ASN A 64 6.133 -11.732 2.963 1.00 0.00 C ATOM 940 O ASN A 64 6.214 -11.453 4.160 1.00 0.00 O ATOM 941 CB ASN A 64 8.476 -11.386 2.156 1.00 0.00 C ATOM 942 CG ASN A 64 9.275 -11.380 0.867 1.00 0.00 C ATOM 943 OD1 ASN A 64 9.171 -10.453 0.063 1.00 0.00 O ATOM 944 ND2 ASN A 64 10.077 -12.419 0.664 1.00 0.00 N ATOM 0 H ASN A 64 7.521 -9.092 2.572 1.00 0.00 H new ATOM 0 HA ASN A 64 6.705 -11.353 0.939 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.919 -10.680 2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.538 -12.373 2.614 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.639 -12.471 -0.186 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.131 -13.165 1.358 1.00 0.00 H new ATOM 951 N LEU A 65 5.299 -12.652 2.491 1.00 0.00 N ATOM 952 CA LEU A 65 4.411 -13.404 3.371 1.00 0.00 C ATOM 953 C LEU A 65 4.258 -14.843 2.890 1.00 0.00 C ATOM 954 O LEU A 65 4.303 -15.115 1.690 1.00 0.00 O ATOM 955 CB LEU A 65 3.040 -12.729 3.441 1.00 0.00 C ATOM 956 CG LEU A 65 3.044 -11.200 3.442 1.00 0.00 C ATOM 957 CD1 LEU A 65 1.746 -10.662 2.858 1.00 0.00 C ATOM 958 CD2 LEU A 65 3.257 -10.668 4.851 1.00 0.00 C ATOM 0 H LEU A 65 5.219 -12.895 1.504 1.00 0.00 H new ATOM 0 HA LEU A 65 4.854 -13.419 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.446 -13.070 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.534 -13.072 4.344 1.00 0.00 H new ATOM 0 HG LEU A 65 3.869 -10.858 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.767 -9.572 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.635 -11.014 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.905 -11.013 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.257 -9.578 4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.454 -11.020 5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.213 -11.024 5.234 1.00 0.00 H new ATOM 970 N ASP A 66 4.074 -15.760 3.833 1.00 0.00 N ATOM 971 CA ASP A 66 3.911 -17.172 3.505 1.00 0.00 C ATOM 972 C ASP A 66 2.520 -17.441 2.940 1.00 0.00 C ATOM 973 O ASP A 66 1.518 -16.964 3.474 1.00 0.00 O ATOM 974 CB ASP A 66 4.147 -18.036 4.745 1.00 0.00 C ATOM 975 CG ASP A 66 3.253 -17.641 5.905 1.00 0.00 C ATOM 976 OD1 ASP A 66 3.180 -16.433 6.214 1.00 0.00 O ATOM 977 OD2 ASP A 66 2.626 -18.540 6.502 1.00 0.00 O ATOM 0 H ASP A 66 4.034 -15.551 4.831 1.00 0.00 H new ATOM 0 HA ASP A 66 4.649 -17.431 2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.971 -19.082 4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.190 -17.952 5.049 1.00 0.00 H new ATOM 982 N VAL A 67 2.465 -18.208 1.856 1.00 0.00 N ATOM 983 CA VAL A 67 1.197 -18.540 1.218 1.00 0.00 C ATOM 984 C VAL A 67 0.819 -19.995 1.472 1.00 0.00 C ATOM 985 O VAL A 67 -0.292 -20.291 1.911 1.00 0.00 O ATOM 986 CB VAL A 67 1.251 -18.293 -0.302 1.00 0.00 C ATOM 987 CG1 VAL A 67 1.526 -16.826 -0.595 1.00 0.00 C ATOM 988 CG2 VAL A 67 2.304 -19.181 -0.948 1.00 0.00 C ATOM 0 H VAL A 67 3.284 -18.611 1.401 1.00 0.00 H new ATOM 0 HA VAL A 67 0.442 -17.889 1.658 1.00 0.00 H new ATOM 0 HB VAL A 67 0.281 -18.548 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.561 -16.671 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.733 -16.214 -0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.482 -16.540 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.329 -18.994 -2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.281 -18.959 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.058 -20.227 -0.768 1.00 0.00 H new ATOM 998 N SER A 68 1.751 -20.901 1.193 1.00 0.00 N ATOM 999 CA SER A 68 1.515 -22.326 1.388 1.00 0.00 C ATOM 1000 C SER A 68 2.785 -23.129 1.121 1.00 0.00 C ATOM 1001 O SER A 68 3.816 -22.573 0.741 1.00 0.00 O ATOM 1002 CB SER A 68 0.391 -22.809 0.469 1.00 0.00 C ATOM 1003 OG SER A 68 -0.874 -22.655 1.088 1.00 0.00 O ATOM 0 H SER A 68 2.677 -20.673 0.831 1.00 0.00 H new ATOM 0 HA SER A 68 1.219 -22.481 2.426 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.413 -22.247 -0.465 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.550 -23.857 0.214 1.00 0.00 H new ATOM 0 HG SER A 68 -0.902 -21.801 1.567 1.00 0.00 H new ATOM 1009 N ASP A 69 2.703 -24.439 1.324 1.00 0.00 N ATOM 1010 CA ASP A 69 3.844 -25.320 1.105 1.00 0.00 C ATOM 1011 C ASP A 69 5.086 -24.786 1.811 1.00 0.00 C ATOM 1012 O ASP A 69 6.200 -24.903 1.301 1.00 0.00 O ATOM 1013 CB ASP A 69 4.119 -25.471 -0.392 1.00 0.00 C ATOM 1014 CG ASP A 69 4.916 -26.721 -0.711 1.00 0.00 C ATOM 1015 OD1 ASP A 69 5.629 -27.216 0.187 1.00 0.00 O ATOM 1016 OD2 ASP A 69 4.827 -27.204 -1.859 1.00 0.00 O ATOM 0 H ASP A 69 1.858 -24.915 1.640 1.00 0.00 H new ATOM 0 HA ASP A 69 3.602 -26.297 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.172 -25.500 -0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.663 -24.596 -0.749 1.00 0.00 H new ATOM 1021 N GLU A 70 4.886 -24.198 2.987 1.00 0.00 N ATOM 1022 CA GLU A 70 5.990 -23.644 3.761 1.00 0.00 C ATOM 1023 C GLU A 70 6.824 -22.688 2.913 1.00 0.00 C ATOM 1024 O GLU A 70 8.026 -22.534 3.130 1.00 0.00 O ATOM 1025 CB GLU A 70 6.876 -24.768 4.303 1.00 0.00 C ATOM 1026 CG GLU A 70 6.102 -25.864 5.016 1.00 0.00 C ATOM 1027 CD GLU A 70 5.849 -25.544 6.476 1.00 0.00 C ATOM 1028 OE1 GLU A 70 6.802 -25.640 7.278 1.00 0.00 O ATOM 1029 OE2 GLU A 70 4.699 -25.199 6.817 1.00 0.00 O ATOM 0 H GLU A 70 3.970 -24.093 3.424 1.00 0.00 H new ATOM 0 HA GLU A 70 5.569 -23.086 4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.435 -25.208 3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.606 -24.343 4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.148 -26.018 4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.655 -26.800 4.944 1.00 0.00 H new ATOM 1036 N LYS A 71 6.177 -22.048 1.945 1.00 0.00 N ATOM 1037 CA LYS A 71 6.856 -21.106 1.063 1.00 0.00 C ATOM 1038 C LYS A 71 6.245 -19.714 1.180 1.00 0.00 C ATOM 1039 O LYS A 71 5.255 -19.518 1.884 1.00 0.00 O ATOM 1040 CB LYS A 71 6.779 -21.588 -0.388 1.00 0.00 C ATOM 1041 CG LYS A 71 7.890 -22.551 -0.769 1.00 0.00 C ATOM 1042 CD LYS A 71 8.076 -22.620 -2.275 1.00 0.00 C ATOM 1043 CE LYS A 71 6.877 -23.265 -2.955 1.00 0.00 C ATOM 1044 NZ LYS A 71 7.256 -23.931 -4.232 1.00 0.00 N ATOM 0 H LYS A 71 5.182 -22.165 1.751 1.00 0.00 H new ATOM 0 HA LYS A 71 7.901 -21.051 1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.817 -22.074 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.815 -20.724 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.822 -22.236 -0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.660 -23.544 -0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.223 -21.615 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.977 -23.189 -2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.428 -23.997 -2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.119 -22.506 -3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.412 -24.358 -4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.661 -23.228 -4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.960 -24.672 -4.041 1.00 0.00 H new ATOM 1058 N MET A 72 6.842 -18.750 0.486 1.00 0.00 N ATOM 1059 CA MET A 72 6.354 -17.376 0.511 1.00 0.00 C ATOM 1060 C MET A 72 6.542 -16.707 -0.847 1.00 0.00 C ATOM 1061 O MET A 72 7.237 -17.232 -1.716 1.00 0.00 O ATOM 1062 CB MET A 72 7.080 -16.574 1.593 1.00 0.00 C ATOM 1063 CG MET A 72 8.577 -16.834 1.640 1.00 0.00 C ATOM 1064 SD MET A 72 9.289 -16.500 3.262 1.00 0.00 S ATOM 1065 CE MET A 72 8.713 -14.828 3.547 1.00 0.00 C ATOM 0 H MET A 72 7.664 -18.895 -0.100 1.00 0.00 H new ATOM 0 HA MET A 72 5.289 -17.399 0.740 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.909 -15.511 1.422 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.647 -16.814 2.564 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.770 -17.872 1.369 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.073 -16.213 0.895 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.506 -14.244 4.014 1.00 0.00 H new ATOM 0 HE2 MET A 72 8.438 -14.371 2.596 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.844 -14.850 4.204 1.00 0.00 H new ATOM 1075 N ALA A 73 5.918 -15.547 -1.022 1.00 0.00 N ATOM 1076 CA ALA A 73 6.018 -14.807 -2.273 1.00 0.00 C ATOM 1077 C ALA A 73 6.076 -13.304 -2.019 1.00 0.00 C ATOM 1078 O ALA A 73 5.852 -12.846 -0.899 1.00 0.00 O ATOM 1079 CB ALA A 73 4.846 -15.145 -3.182 1.00 0.00 C ATOM 0 H ALA A 73 5.338 -15.099 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 73 6.944 -15.102 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.934 -14.585 -4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.850 -16.213 -3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.912 -14.880 -2.686 1.00 0.00 H new ATOM 1085 N MET A 74 6.380 -12.543 -3.065 1.00 0.00 N ATOM 1086 CA MET A 74 6.467 -11.091 -2.954 1.00 0.00 C ATOM 1087 C MET A 74 5.180 -10.431 -3.439 1.00 0.00 C ATOM 1088 O MET A 74 4.646 -10.787 -4.490 1.00 0.00 O ATOM 1089 CB MET A 74 7.658 -10.567 -3.759 1.00 0.00 C ATOM 1090 CG MET A 74 7.961 -9.099 -3.508 1.00 0.00 C ATOM 1091 SD MET A 74 9.618 -8.631 -4.045 1.00 0.00 S ATOM 1092 CE MET A 74 10.469 -8.534 -2.471 1.00 0.00 C ATOM 0 H MET A 74 6.570 -12.907 -3.999 1.00 0.00 H new ATOM 0 HA MET A 74 6.610 -10.839 -1.903 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.540 -11.159 -3.515 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.461 -10.713 -4.821 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.227 -8.486 -4.031 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.854 -8.887 -2.444 1.00 0.00 H new ATOM 0 HE1 MET A 74 10.915 -7.546 -2.359 1.00 0.00 H new ATOM 0 HE2 MET A 74 9.759 -8.705 -1.662 1.00 0.00 H new ATOM 0 HE3 MET A 74 11.252 -9.292 -2.433 1.00 0.00 H new ATOM 1102 N PHE A 75 4.687 -9.468 -2.667 1.00 0.00 N ATOM 1103 CA PHE A 75 3.462 -8.759 -3.018 1.00 0.00 C ATOM 1104 C PHE A 75 3.748 -7.288 -3.304 1.00 0.00 C ATOM 1105 O PHE A 75 4.114 -6.530 -2.406 1.00 0.00 O ATOM 1106 CB PHE A 75 2.436 -8.881 -1.889 1.00 0.00 C ATOM 1107 CG PHE A 75 1.656 -10.164 -1.923 1.00 0.00 C ATOM 1108 CD1 PHE A 75 2.295 -11.383 -1.761 1.00 0.00 C ATOM 1109 CD2 PHE A 75 0.285 -10.151 -2.119 1.00 0.00 C ATOM 1110 CE1 PHE A 75 1.580 -12.565 -1.791 1.00 0.00 C ATOM 1111 CE2 PHE A 75 -0.435 -11.331 -2.150 1.00 0.00 C ATOM 1112 CZ PHE A 75 0.213 -12.539 -1.987 1.00 0.00 C ATOM 0 H PHE A 75 5.117 -9.161 -1.795 1.00 0.00 H new ATOM 0 HA PHE A 75 3.054 -9.214 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.951 -8.803 -0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.743 -8.042 -1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.364 -11.409 -1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.227 -9.209 -2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.090 -13.508 -1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.504 -11.308 -2.302 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.348 -13.462 -2.013 1.00 0.00 H new ATOM 1122 N SER A 76 3.580 -6.892 -4.562 1.00 0.00 N ATOM 1123 CA SER A 76 3.824 -5.514 -4.969 1.00 0.00 C ATOM 1124 C SER A 76 2.551 -4.680 -4.853 1.00 0.00 C ATOM 1125 O SER A 76 1.585 -4.896 -5.586 1.00 0.00 O ATOM 1126 CB SER A 76 4.348 -5.469 -6.405 1.00 0.00 C ATOM 1127 OG SER A 76 5.602 -6.120 -6.511 1.00 0.00 O ATOM 0 H SER A 76 3.276 -7.507 -5.317 1.00 0.00 H new ATOM 0 HA SER A 76 4.576 -5.092 -4.303 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.630 -5.945 -7.073 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.444 -4.432 -6.728 1.00 0.00 H new ATOM 0 HG SER A 76 6.172 -5.856 -5.759 1.00 0.00 H new ATOM 1133 N LEU A 77 2.558 -3.726 -3.928 1.00 0.00 N ATOM 1134 CA LEU A 77 1.405 -2.859 -3.716 1.00 0.00 C ATOM 1135 C LEU A 77 1.642 -1.479 -4.322 1.00 0.00 C ATOM 1136 O LEU A 77 2.253 -0.612 -3.698 1.00 0.00 O ATOM 1137 CB LEU A 77 1.110 -2.727 -2.220 1.00 0.00 C ATOM 1138 CG LEU A 77 0.148 -3.759 -1.632 1.00 0.00 C ATOM 1139 CD1 LEU A 77 0.872 -5.068 -1.359 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -0.493 -3.226 -0.359 1.00 0.00 C ATOM 0 H LEU A 77 3.349 -3.534 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 77 0.546 -3.311 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.053 -2.789 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.701 -1.733 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.641 -3.949 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.172 -5.791 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.283 -5.458 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.682 -4.895 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.175 -3.974 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.283 -3.007 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.047 -2.315 -0.584 1.00 0.00 H new ATOM 1152 N ALA A 78 1.153 -1.284 -5.543 1.00 0.00 N ATOM 1153 CA ALA A 78 1.308 -0.009 -6.232 1.00 0.00 C ATOM 1154 C ALA A 78 0.418 1.063 -5.611 1.00 0.00 C ATOM 1155 O ALA A 78 -0.750 1.202 -5.977 1.00 0.00 O ATOM 1156 CB ALA A 78 0.992 -0.167 -7.712 1.00 0.00 C ATOM 0 H ALA A 78 0.647 -1.992 -6.074 1.00 0.00 H new ATOM 0 HA ALA A 78 2.345 0.310 -6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.112 0.793 -8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.673 -0.895 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.035 -0.512 -7.830 1.00 0.00 H new ATOM 1162 N CYS A 79 0.977 1.817 -4.671 1.00 0.00 N ATOM 1163 CA CYS A 79 0.233 2.876 -3.998 1.00 0.00 C ATOM 1164 C CYS A 79 0.445 4.216 -4.694 1.00 0.00 C ATOM 1165 O CYS A 79 1.562 4.553 -5.086 1.00 0.00 O ATOM 1166 CB CYS A 79 0.659 2.975 -2.533 1.00 0.00 C ATOM 1167 SG CYS A 79 0.653 1.395 -1.653 1.00 0.00 S ATOM 0 H CYS A 79 1.942 1.715 -4.358 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.827 2.627 -4.044 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.661 3.401 -2.485 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.007 3.668 -2.018 1.00 0.00 H new ATOM 0 HG CYS A 79 1.246 0.493 -2.377 1.00 0.00 H new ATOM 1173 N ILE A 80 -0.635 4.975 -4.845 1.00 0.00 N ATOM 1174 CA ILE A 80 -0.567 6.279 -5.495 1.00 0.00 C ATOM 1175 C ILE A 80 -1.438 7.300 -4.770 1.00 0.00 C ATOM 1176 O ILE A 80 -2.641 7.097 -4.599 1.00 0.00 O ATOM 1177 CB ILE A 80 -1.008 6.197 -6.968 1.00 0.00 C ATOM 1178 CG1 ILE A 80 -0.104 5.236 -7.742 1.00 0.00 C ATOM 1179 CG2 ILE A 80 -0.988 7.579 -7.604 1.00 0.00 C ATOM 1180 CD1 ILE A 80 -0.453 5.128 -9.210 1.00 0.00 C ATOM 0 H ILE A 80 -1.567 4.710 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 80 0.474 6.599 -5.454 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.028 5.815 -7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.930 5.566 -7.646 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.166 4.247 -7.288 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.302 7.505 -8.645 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.670 8.237 -7.065 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.022 7.986 -7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.229 4.430 -9.696 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.477 4.768 -9.315 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.363 6.108 -9.678 1.00 0.00 H new ATOM 1192 N LEU A 81 -0.823 8.399 -4.348 1.00 0.00 N ATOM 1193 CA LEU A 81 -1.542 9.455 -3.644 1.00 0.00 C ATOM 1194 C LEU A 81 -2.074 10.498 -4.621 1.00 0.00 C ATOM 1195 O LEU A 81 -1.316 11.219 -5.271 1.00 0.00 O ATOM 1196 CB LEU A 81 -0.628 10.123 -2.615 1.00 0.00 C ATOM 1197 CG LEU A 81 0.032 9.190 -1.599 1.00 0.00 C ATOM 1198 CD1 LEU A 81 0.846 9.988 -0.592 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -1.016 8.345 -0.890 1.00 0.00 C ATOM 0 H LEU A 81 0.172 8.582 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.389 9.002 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.156 10.659 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.209 10.867 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 81 0.707 8.522 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.308 9.308 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.622 10.548 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.192 10.681 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.528 7.687 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.717 8.997 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.556 7.745 -1.622 1.00 0.00 H new ATOM 1211 N PRO A 82 -3.408 10.584 -4.729 1.00 0.00 N ATOM 1212 CA PRO A 82 -4.070 11.538 -5.623 1.00 0.00 C ATOM 1213 C PRO A 82 -3.919 12.979 -5.149 1.00 0.00 C ATOM 1214 O PRO A 82 -3.323 13.239 -4.103 1.00 0.00 O ATOM 1215 CB PRO A 82 -5.539 11.110 -5.572 1.00 0.00 C ATOM 1216 CG PRO A 82 -5.690 10.427 -4.257 1.00 0.00 C ATOM 1217 CD PRO A 82 -4.372 9.756 -3.986 1.00 0.00 C ATOM 0 HA PRO A 82 -3.641 11.523 -6.625 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.205 11.970 -5.650 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.785 10.440 -6.396 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.933 11.142 -3.471 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.500 9.698 -4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.144 9.733 -2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.368 8.723 -4.335 1.00 0.00 H new ATOM 1225 N PHE A 83 -4.461 13.912 -5.923 1.00 0.00 N ATOM 1226 CA PHE A 83 -4.385 15.328 -5.582 1.00 0.00 C ATOM 1227 C PHE A 83 -5.591 15.752 -4.748 1.00 0.00 C ATOM 1228 O PHE A 83 -5.994 16.915 -4.764 1.00 0.00 O ATOM 1229 CB PHE A 83 -4.305 16.177 -6.852 1.00 0.00 C ATOM 1230 CG PHE A 83 -3.260 15.707 -7.822 1.00 0.00 C ATOM 1231 CD1 PHE A 83 -1.956 15.493 -7.406 1.00 0.00 C ATOM 1232 CD2 PHE A 83 -3.581 15.479 -9.151 1.00 0.00 C ATOM 1233 CE1 PHE A 83 -0.992 15.061 -8.297 1.00 0.00 C ATOM 1234 CE2 PHE A 83 -2.621 15.047 -10.046 1.00 0.00 C ATOM 1235 CZ PHE A 83 -1.325 14.836 -9.618 1.00 0.00 C ATOM 0 H PHE A 83 -4.958 13.714 -6.791 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.483 15.486 -4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.277 16.170 -7.346 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.095 17.210 -6.576 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.690 15.666 -6.374 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.593 15.641 -9.491 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.021 14.899 -7.960 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.884 14.875 -11.079 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.574 14.496 -10.315 1.00 0.00 H new ATOM 1245 N LYS A 84 -6.164 14.799 -4.021 1.00 0.00 N ATOM 1246 CA LYS A 84 -7.324 15.071 -3.180 1.00 0.00 C ATOM 1247 C LYS A 84 -7.078 14.606 -1.748 1.00 0.00 C ATOM 1248 O LYS A 84 -7.431 15.297 -0.791 1.00 0.00 O ATOM 1249 CB LYS A 84 -8.565 14.377 -3.746 1.00 0.00 C ATOM 1250 CG LYS A 84 -8.526 14.197 -5.254 1.00 0.00 C ATOM 1251 CD LYS A 84 -9.920 14.238 -5.857 1.00 0.00 C ATOM 1252 CE LYS A 84 -9.906 14.846 -7.251 1.00 0.00 C ATOM 1253 NZ LYS A 84 -11.256 14.825 -7.879 1.00 0.00 N ATOM 0 H LYS A 84 -5.844 13.831 -3.997 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.490 16.148 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.672 13.400 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.449 14.957 -3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.913 14.981 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.052 13.246 -5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.327 13.228 -5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.580 14.819 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.547 15.874 -7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.205 14.297 -7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.204 15.248 -8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.588 13.842 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.920 15.370 -7.293 1.00 0.00 H new ATOM 1267 N TYR A 85 -6.470 13.434 -1.607 1.00 0.00 N ATOM 1268 CA TYR A 85 -6.178 12.877 -0.292 1.00 0.00 C ATOM 1269 C TYR A 85 -5.870 13.984 0.712 1.00 0.00 C ATOM 1270 O TYR A 85 -5.208 14.974 0.400 1.00 0.00 O ATOM 1271 CB TYR A 85 -4.999 11.907 -0.376 1.00 0.00 C ATOM 1272 CG TYR A 85 -5.052 10.798 0.651 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -6.148 9.947 0.727 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -4.008 10.602 1.546 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -6.202 8.934 1.664 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -4.052 9.590 2.485 1.00 0.00 C ATOM 1277 CZ TYR A 85 -5.151 8.759 2.541 1.00 0.00 C ATOM 1278 OH TYR A 85 -5.200 7.750 3.476 1.00 0.00 O ATOM 0 H TYR A 85 -6.169 12.851 -2.388 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.061 12.336 0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.972 11.467 -1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.071 12.464 -0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.972 10.080 0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -3.147 11.252 1.507 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.062 8.282 1.710 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.230 9.450 3.172 1.00 0.00 H new ATOM 0 HH TYR A 85 -5.729 7.004 3.124 1.00 0.00 H new ATOM 1288 N PRO A 86 -6.362 13.813 1.949 1.00 0.00 N ATOM 1289 CA PRO A 86 -7.152 12.639 2.331 1.00 0.00 C ATOM 1290 C PRO A 86 -8.529 12.629 1.676 1.00 0.00 C ATOM 1291 O PRO A 86 -9.254 11.637 1.749 1.00 0.00 O ATOM 1292 CB PRO A 86 -7.283 12.779 3.850 1.00 0.00 C ATOM 1293 CG PRO A 86 -7.140 14.239 4.109 1.00 0.00 C ATOM 1294 CD PRO A 86 -6.185 14.753 3.068 1.00 0.00 C ATOM 0 HA PRO A 86 -6.680 11.709 2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.246 12.407 4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.513 12.208 4.368 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.103 14.744 4.038 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.758 14.421 5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.422 15.776 2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.157 14.756 3.432 1.00 0.00 H new ATOM 1302 N ALA A 87 -8.883 13.738 1.036 1.00 0.00 N ATOM 1303 CA ALA A 87 -10.173 13.855 0.366 1.00 0.00 C ATOM 1304 C ALA A 87 -10.643 12.503 -0.160 1.00 0.00 C ATOM 1305 O ALA A 87 -11.591 11.918 0.363 1.00 0.00 O ATOM 1306 CB ALA A 87 -10.088 14.865 -0.769 1.00 0.00 C ATOM 0 H ALA A 87 -8.295 14.569 0.967 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.903 14.205 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.058 14.942 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.805 15.839 -0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.340 14.538 -1.492 1.00 0.00 H new ATOM 1312 N VAL A 88 -9.973 12.012 -1.198 1.00 0.00 N ATOM 1313 CA VAL A 88 -10.322 10.728 -1.795 1.00 0.00 C ATOM 1314 C VAL A 88 -9.225 9.696 -1.559 1.00 0.00 C ATOM 1315 O VAL A 88 -8.051 9.948 -1.834 1.00 0.00 O ATOM 1316 CB VAL A 88 -10.570 10.862 -3.309 1.00 0.00 C ATOM 1317 CG1 VAL A 88 -11.553 11.988 -3.592 1.00 0.00 C ATOM 1318 CG2 VAL A 88 -9.259 11.091 -4.045 1.00 0.00 C ATOM 0 H VAL A 88 -9.186 12.484 -1.643 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.241 10.394 -1.313 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.006 9.931 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.716 12.067 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.501 11.777 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.148 12.928 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.453 11.183 -5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.792 12.006 -3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.591 10.248 -3.869 1.00 0.00 H new ATOM 1328 N LEU A 89 -9.614 8.533 -1.050 1.00 0.00 N ATOM 1329 CA LEU A 89 -8.663 7.460 -0.778 1.00 0.00 C ATOM 1330 C LEU A 89 -7.666 7.314 -1.922 1.00 0.00 C ATOM 1331 O LEU A 89 -7.918 7.726 -3.055 1.00 0.00 O ATOM 1332 CB LEU A 89 -9.403 6.140 -0.559 1.00 0.00 C ATOM 1333 CG LEU A 89 -10.014 5.934 0.828 1.00 0.00 C ATOM 1334 CD1 LEU A 89 -11.219 6.841 1.020 1.00 0.00 C ATOM 1335 CD2 LEU A 89 -10.403 4.477 1.029 1.00 0.00 C ATOM 0 H LEU A 89 -10.581 8.308 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.113 7.715 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.200 6.066 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.710 5.322 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.265 6.195 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.641 6.681 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.911 7.882 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.971 6.612 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.836 4.350 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.134 4.188 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.518 3.848 0.936 1.00 0.00 H new ATOM 1347 N PRO A 90 -6.506 6.710 -1.623 1.00 0.00 N ATOM 1348 CA PRO A 90 -5.448 6.493 -2.614 1.00 0.00 C ATOM 1349 C PRO A 90 -5.835 5.448 -3.655 1.00 0.00 C ATOM 1350 O PRO A 90 -7.000 5.066 -3.760 1.00 0.00 O ATOM 1351 CB PRO A 90 -4.270 5.997 -1.771 1.00 0.00 C ATOM 1352 CG PRO A 90 -4.896 5.390 -0.564 1.00 0.00 C ATOM 1353 CD PRO A 90 -6.138 6.194 -0.294 1.00 0.00 C ATOM 0 HA PRO A 90 -5.232 7.396 -3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.673 5.267 -2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.604 6.816 -1.501 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.139 4.342 -0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.216 5.424 0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.931 5.578 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.948 7.002 0.412 1.00 0.00 H new ATOM 1361 N GLU A 91 -4.850 4.991 -4.423 1.00 0.00 N ATOM 1362 CA GLU A 91 -5.090 3.991 -5.456 1.00 0.00 C ATOM 1363 C GLU A 91 -4.065 2.864 -5.371 1.00 0.00 C ATOM 1364 O GLU A 91 -3.156 2.774 -6.197 1.00 0.00 O ATOM 1365 CB GLU A 91 -5.041 4.636 -6.843 1.00 0.00 C ATOM 1366 CG GLU A 91 -6.299 5.410 -7.199 1.00 0.00 C ATOM 1367 CD GLU A 91 -7.388 4.522 -7.770 1.00 0.00 C ATOM 1368 OE1 GLU A 91 -8.070 3.838 -6.978 1.00 0.00 O ATOM 1369 OE2 GLU A 91 -7.557 4.511 -9.007 1.00 0.00 O ATOM 0 H GLU A 91 -3.880 5.297 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.082 3.570 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.185 5.309 -6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.879 3.859 -7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.676 5.914 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.051 6.186 -7.923 1.00 0.00 H new ATOM 1376 N ILE A 92 -4.218 2.008 -4.366 1.00 0.00 N ATOM 1377 CA ILE A 92 -3.306 0.887 -4.173 1.00 0.00 C ATOM 1378 C ILE A 92 -3.664 -0.278 -5.091 1.00 0.00 C ATOM 1379 O ILE A 92 -4.835 -0.629 -5.238 1.00 0.00 O ATOM 1380 CB ILE A 92 -3.317 0.397 -2.713 1.00 0.00 C ATOM 1381 CG1 ILE A 92 -3.003 1.554 -1.762 1.00 0.00 C ATOM 1382 CG2 ILE A 92 -2.319 -0.735 -2.527 1.00 0.00 C ATOM 1383 CD1 ILE A 92 -3.538 1.348 -0.362 1.00 0.00 C ATOM 0 H ILE A 92 -4.964 2.069 -3.673 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.307 1.247 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.312 0.019 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.923 1.690 -1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.422 2.473 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.338 -1.071 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.584 -1.565 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.318 -0.382 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.278 2.207 0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.622 1.242 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.100 0.447 0.066 1.00 0.00 H new ATOM 1395 N THR A 93 -2.648 -0.875 -5.705 1.00 0.00 N ATOM 1396 CA THR A 93 -2.854 -2.000 -6.607 1.00 0.00 C ATOM 1397 C THR A 93 -2.028 -3.208 -6.179 1.00 0.00 C ATOM 1398 O THR A 93 -0.798 -3.179 -6.227 1.00 0.00 O ATOM 1399 CB THR A 93 -2.490 -1.632 -8.058 1.00 0.00 C ATOM 1400 OG1 THR A 93 -3.309 -0.546 -8.508 1.00 0.00 O ATOM 1401 CG2 THR A 93 -2.671 -2.827 -8.981 1.00 0.00 C ATOM 0 H THR A 93 -1.673 -0.597 -5.594 1.00 0.00 H new ATOM 0 HA THR A 93 -3.913 -2.252 -6.559 1.00 0.00 H new ATOM 0 HB THR A 93 -1.443 -1.331 -8.082 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.070 -0.317 -9.430 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.408 -2.543 -10.000 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.025 -3.641 -8.653 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.710 -3.155 -8.953 1.00 0.00 H new ATOM 1409 N VAL A 94 -2.711 -4.268 -5.760 1.00 0.00 N ATOM 1410 CA VAL A 94 -2.040 -5.487 -5.324 1.00 0.00 C ATOM 1411 C VAL A 94 -1.853 -6.457 -6.486 1.00 0.00 C ATOM 1412 O VAL A 94 -2.824 -6.901 -7.098 1.00 0.00 O ATOM 1413 CB VAL A 94 -2.826 -6.191 -4.203 1.00 0.00 C ATOM 1414 CG1 VAL A 94 -2.022 -7.349 -3.632 1.00 0.00 C ATOM 1415 CG2 VAL A 94 -3.199 -5.201 -3.111 1.00 0.00 C ATOM 0 H VAL A 94 -3.729 -4.307 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.063 -5.191 -4.941 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.746 -6.593 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.594 -7.834 -2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.811 -8.070 -4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.084 -6.974 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.754 -5.716 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.293 -4.767 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.818 -4.409 -3.533 1.00 0.00 H new ATOM 1425 N ARG A 95 -0.599 -6.780 -6.784 1.00 0.00 N ATOM 1426 CA ARG A 95 -0.285 -7.697 -7.873 1.00 0.00 C ATOM 1427 C ARG A 95 0.688 -8.778 -7.410 1.00 0.00 C ATOM 1428 O ARG A 95 1.585 -8.517 -6.609 1.00 0.00 O ATOM 1429 CB ARG A 95 0.311 -6.932 -9.056 1.00 0.00 C ATOM 1430 CG ARG A 95 -0.660 -5.957 -9.702 1.00 0.00 C ATOM 1431 CD ARG A 95 -1.730 -6.684 -10.502 1.00 0.00 C ATOM 1432 NE ARG A 95 -2.935 -5.876 -10.665 1.00 0.00 N ATOM 1433 CZ ARG A 95 -3.080 -4.955 -11.612 1.00 0.00 C ATOM 1434 NH1 ARG A 95 -2.100 -4.728 -12.476 1.00 0.00 N ATOM 1435 NH2 ARG A 95 -4.207 -4.260 -11.696 1.00 0.00 N ATOM 0 H ARG A 95 0.216 -6.420 -6.287 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.211 -8.177 -8.189 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.191 -6.385 -8.718 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.649 -7.646 -9.807 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.132 -5.347 -8.931 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.114 -5.277 -10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.334 -6.946 -11.483 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.985 -7.618 -10.001 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.708 -6.027 -10.017 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.232 -5.261 -12.415 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.214 -4.021 -13.202 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.963 -4.432 -11.033 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.317 -3.553 -12.423 1.00 0.00 H new ATOM 1449 N SER A 96 0.503 -9.991 -7.920 1.00 0.00 N ATOM 1450 CA SER A 96 1.362 -11.112 -7.556 1.00 0.00 C ATOM 1451 C SER A 96 1.287 -12.217 -8.606 1.00 0.00 C ATOM 1452 O SER A 96 0.217 -12.511 -9.139 1.00 0.00 O ATOM 1453 CB SER A 96 0.961 -11.666 -6.188 1.00 0.00 C ATOM 1454 OG SER A 96 1.843 -12.695 -5.775 1.00 0.00 O ATOM 0 H SER A 96 -0.234 -10.223 -8.586 1.00 0.00 H new ATOM 0 HA SER A 96 2.389 -10.750 -7.507 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.965 -10.862 -5.452 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.057 -12.052 -6.233 1.00 0.00 H new ATOM 0 HG SER A 96 1.566 -13.031 -4.897 1.00 0.00 H new ATOM 1460 N VAL A 97 2.432 -12.826 -8.898 1.00 0.00 N ATOM 1461 CA VAL A 97 2.498 -13.899 -9.883 1.00 0.00 C ATOM 1462 C VAL A 97 1.577 -15.053 -9.501 1.00 0.00 C ATOM 1463 O VAL A 97 1.055 -15.758 -10.365 1.00 0.00 O ATOM 1464 CB VAL A 97 3.934 -14.432 -10.036 1.00 0.00 C ATOM 1465 CG1 VAL A 97 4.335 -15.247 -8.816 1.00 0.00 C ATOM 1466 CG2 VAL A 97 4.062 -15.261 -11.306 1.00 0.00 C ATOM 0 H VAL A 97 3.327 -12.594 -8.466 1.00 0.00 H new ATOM 0 HA VAL A 97 2.172 -13.477 -10.834 1.00 0.00 H new ATOM 0 HB VAL A 97 4.612 -13.582 -10.114 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.353 -15.615 -8.943 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.284 -14.619 -7.926 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.655 -16.092 -8.703 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.084 -15.630 -11.398 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.374 -16.105 -11.260 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.820 -14.642 -12.170 1.00 0.00 H new ATOM 1476 N LEU A 98 1.381 -15.240 -8.200 1.00 0.00 N ATOM 1477 CA LEU A 98 0.522 -16.309 -7.702 1.00 0.00 C ATOM 1478 C LEU A 98 -0.941 -16.027 -8.027 1.00 0.00 C ATOM 1479 O LEU A 98 -1.619 -16.846 -8.649 1.00 0.00 O ATOM 1480 CB LEU A 98 0.700 -16.470 -6.191 1.00 0.00 C ATOM 1481 CG LEU A 98 2.135 -16.389 -5.672 1.00 0.00 C ATOM 1482 CD1 LEU A 98 2.172 -16.611 -4.168 1.00 0.00 C ATOM 1483 CD2 LEU A 98 3.018 -17.403 -6.384 1.00 0.00 C ATOM 0 H LEU A 98 1.805 -14.666 -7.471 1.00 0.00 H new ATOM 0 HA LEU A 98 0.812 -17.236 -8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.111 -15.701 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.282 -17.433 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 98 2.521 -15.391 -5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.202 -16.550 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.573 -15.847 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.767 -17.596 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.036 -17.331 -6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.634 -18.408 -6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.017 -17.198 -7.455 1.00 0.00 H new ATOM 1495 N LEU A 99 -1.422 -14.863 -7.603 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.805 -14.472 -7.851 1.00 0.00 C ATOM 1497 C LEU A 99 -3.030 -14.170 -9.329 1.00 0.00 C ATOM 1498 O LEU A 99 -2.116 -13.735 -10.029 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.168 -13.248 -7.008 1.00 0.00 C ATOM 1500 CG LEU A 99 -2.908 -13.367 -5.506 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.664 -11.995 -4.896 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.074 -14.059 -4.815 1.00 0.00 C ATOM 0 H LEU A 99 -0.875 -14.174 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.448 -15.305 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.609 -12.392 -7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.225 -13.029 -7.157 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.013 -13.972 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.481 -12.100 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.796 -11.535 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.540 -11.366 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.871 -14.135 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.985 -13.481 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.203 -15.058 -5.231 1.00 0.00 H new ATOM 1514 N SER A 100 -4.253 -14.401 -9.796 1.00 0.00 N ATOM 1515 CA SER A 100 -4.597 -14.155 -11.191 1.00 0.00 C ATOM 1516 C SER A 100 -5.429 -12.884 -11.330 1.00 0.00 C ATOM 1517 O SER A 100 -6.019 -12.407 -10.360 1.00 0.00 O ATOM 1518 CB SER A 100 -5.365 -15.347 -11.767 1.00 0.00 C ATOM 1519 OG SER A 100 -4.478 -16.351 -12.229 1.00 0.00 O ATOM 0 H SER A 100 -5.022 -14.758 -9.229 1.00 0.00 H new ATOM 0 HA SER A 100 -3.670 -14.024 -11.750 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.023 -15.762 -11.004 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.999 -15.012 -12.588 1.00 0.00 H new ATOM 0 HG SER A 100 -4.994 -17.102 -12.590 1.00 0.00 H new ATOM 1525 N ARG A 101 -5.471 -12.341 -12.542 1.00 0.00 N ATOM 1526 CA ARG A 101 -6.230 -11.125 -12.808 1.00 0.00 C ATOM 1527 C ARG A 101 -7.646 -11.235 -12.252 1.00 0.00 C ATOM 1528 O ARG A 101 -8.232 -10.243 -11.818 1.00 0.00 O ATOM 1529 CB ARG A 101 -6.281 -10.849 -14.312 1.00 0.00 C ATOM 1530 CG ARG A 101 -7.284 -9.776 -14.701 1.00 0.00 C ATOM 1531 CD ARG A 101 -7.079 -9.314 -16.135 1.00 0.00 C ATOM 1532 NE ARG A 101 -7.611 -10.272 -17.100 1.00 0.00 N ATOM 1533 CZ ARG A 101 -7.639 -10.057 -18.411 1.00 0.00 C ATOM 1534 NH1 ARG A 101 -7.166 -8.923 -18.910 1.00 0.00 N ATOM 1535 NH2 ARG A 101 -8.140 -10.977 -19.225 1.00 0.00 N ATOM 0 H ARG A 101 -4.989 -12.724 -13.355 1.00 0.00 H new ATOM 0 HA ARG A 101 -5.726 -10.296 -12.310 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.290 -10.548 -14.651 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -6.530 -11.773 -14.834 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -8.296 -10.163 -14.584 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -7.188 -8.925 -14.026 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.564 -8.348 -16.278 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.015 -9.166 -16.320 1.00 0.00 H new ATOM 0 HE ARG A 101 -7.982 -11.155 -16.748 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.780 -8.214 -18.287 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -7.189 -8.760 -19.917 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -8.504 -11.851 -18.845 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.161 -10.811 -20.231 1.00 0.00 H new ATOM 1549 N SER A 102 -8.191 -12.447 -12.269 1.00 0.00 N ATOM 1550 CA SER A 102 -9.540 -12.686 -11.771 1.00 0.00 C ATOM 1551 C SER A 102 -9.613 -12.448 -10.265 1.00 0.00 C ATOM 1552 O SER A 102 -10.239 -11.492 -9.808 1.00 0.00 O ATOM 1553 CB SER A 102 -9.981 -14.115 -12.095 1.00 0.00 C ATOM 1554 OG SER A 102 -10.998 -14.548 -11.208 1.00 0.00 O ATOM 0 H SER A 102 -7.719 -13.279 -12.623 1.00 0.00 H new ATOM 0 HA SER A 102 -10.213 -11.985 -12.265 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.345 -14.163 -13.121 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.125 -14.787 -12.028 1.00 0.00 H new ATOM 0 HG SER A 102 -10.602 -15.099 -10.500 1.00 0.00 H new ATOM 1560 N GLN A 103 -8.970 -13.326 -9.502 1.00 0.00 N ATOM 1561 CA GLN A 103 -8.962 -13.212 -8.049 1.00 0.00 C ATOM 1562 C GLN A 103 -8.368 -11.878 -7.610 1.00 0.00 C ATOM 1563 O GLN A 103 -8.976 -11.144 -6.830 1.00 0.00 O ATOM 1564 CB GLN A 103 -8.169 -14.365 -7.430 1.00 0.00 C ATOM 1565 CG GLN A 103 -7.061 -14.891 -8.327 1.00 0.00 C ATOM 1566 CD GLN A 103 -7.526 -16.018 -9.229 1.00 0.00 C ATOM 1567 OE1 GLN A 103 -8.478 -15.864 -9.994 1.00 0.00 O ATOM 1568 NE2 GLN A 103 -6.855 -17.160 -9.143 1.00 0.00 N ATOM 0 H GLN A 103 -8.448 -14.123 -9.866 1.00 0.00 H new ATOM 0 HA GLN A 103 -9.994 -13.261 -7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.735 -14.032 -6.487 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -8.853 -15.181 -7.195 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -6.677 -14.075 -8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -6.235 -15.242 -7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.072 -17.244 -8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.123 -17.954 -9.725 1.00 0.00 H new ATOM 1577 N GLN A 104 -7.178 -11.570 -8.115 1.00 0.00 N ATOM 1578 CA GLN A 104 -6.502 -10.324 -7.774 1.00 0.00 C ATOM 1579 C GLN A 104 -7.477 -9.152 -7.799 1.00 0.00 C ATOM 1580 O GLN A 104 -7.483 -8.315 -6.896 1.00 0.00 O ATOM 1581 CB GLN A 104 -5.348 -10.064 -8.743 1.00 0.00 C ATOM 1582 CG GLN A 104 -4.344 -9.042 -8.233 1.00 0.00 C ATOM 1583 CD GLN A 104 -3.709 -9.454 -6.919 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -2.759 -10.237 -6.894 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -4.231 -8.927 -5.818 1.00 0.00 N ATOM 0 H GLN A 104 -6.662 -12.166 -8.762 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.104 -10.420 -6.764 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.830 -11.003 -8.939 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.754 -9.719 -9.694 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.564 -8.900 -8.981 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -4.842 -8.081 -8.106 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.018 -8.282 -5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.845 -9.167 -4.905 1.00 0.00 H new ATOM 1594 N THR A 105 -8.301 -9.096 -8.841 1.00 0.00 N ATOM 1595 CA THR A 105 -9.279 -8.025 -8.986 1.00 0.00 C ATOM 1596 C THR A 105 -10.224 -7.979 -7.790 1.00 0.00 C ATOM 1597 O THR A 105 -10.494 -6.910 -7.243 1.00 0.00 O ATOM 1598 CB THR A 105 -10.108 -8.191 -10.274 1.00 0.00 C ATOM 1599 OG1 THR A 105 -9.266 -8.031 -11.421 1.00 0.00 O ATOM 1600 CG2 THR A 105 -11.239 -7.175 -10.324 1.00 0.00 C ATOM 0 H THR A 105 -8.310 -9.780 -9.597 1.00 0.00 H new ATOM 0 HA THR A 105 -8.719 -7.091 -9.041 1.00 0.00 H new ATOM 0 HB THR A 105 -10.540 -9.192 -10.276 1.00 0.00 H new ATOM 0 HG1 THR A 105 -8.570 -8.721 -11.415 1.00 0.00 H new ATOM 0 HG21 THR A 105 -11.810 -7.311 -11.242 1.00 0.00 H new ATOM 0 HG22 THR A 105 -11.894 -7.317 -9.464 1.00 0.00 H new ATOM 0 HG23 THR A 105 -10.824 -6.167 -10.301 1.00 0.00 H new ATOM 1608 N GLN A 106 -10.723 -9.144 -7.390 1.00 0.00 N ATOM 1609 CA GLN A 106 -11.638 -9.235 -6.259 1.00 0.00 C ATOM 1610 C GLN A 106 -10.969 -8.748 -4.977 1.00 0.00 C ATOM 1611 O GLN A 106 -11.568 -8.011 -4.193 1.00 0.00 O ATOM 1612 CB GLN A 106 -12.120 -10.675 -6.080 1.00 0.00 C ATOM 1613 CG GLN A 106 -13.418 -10.789 -5.297 1.00 0.00 C ATOM 1614 CD GLN A 106 -14.522 -9.919 -5.866 1.00 0.00 C ATOM 1615 OE1 GLN A 106 -14.983 -10.135 -6.987 1.00 0.00 O ATOM 1616 NE2 GLN A 106 -14.951 -8.927 -5.094 1.00 0.00 N ATOM 0 H GLN A 106 -10.509 -10.038 -7.832 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.496 -8.595 -6.466 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.257 -11.128 -7.062 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.346 -11.248 -5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.745 -11.829 -5.293 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.238 -10.508 -4.259 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -14.540 -8.785 -4.171 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.691 -8.308 -5.424 1.00 0.00 H new ATOM 1625 N LEU A 107 -9.725 -9.165 -4.770 1.00 0.00 N ATOM 1626 CA LEU A 107 -8.974 -8.771 -3.583 1.00 0.00 C ATOM 1627 C LEU A 107 -8.845 -7.254 -3.498 1.00 0.00 C ATOM 1628 O LEU A 107 -9.191 -6.648 -2.485 1.00 0.00 O ATOM 1629 CB LEU A 107 -7.585 -9.412 -3.599 1.00 0.00 C ATOM 1630 CG LEU A 107 -6.668 -9.057 -2.427 1.00 0.00 C ATOM 1631 CD1 LEU A 107 -5.714 -10.203 -2.129 1.00 0.00 C ATOM 1632 CD2 LEU A 107 -5.895 -7.780 -2.723 1.00 0.00 C ATOM 0 H LEU A 107 -9.215 -9.776 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.519 -9.120 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.707 -10.495 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.086 -9.126 -4.525 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.286 -8.888 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.070 -9.932 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.286 -11.095 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.102 -10.405 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.248 -7.542 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.288 -7.921 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.595 -6.960 -2.885 1.00 0.00 H new ATOM 1644 N ASN A 108 -8.348 -6.646 -4.570 1.00 0.00 N ATOM 1645 CA ASN A 108 -8.176 -5.199 -4.618 1.00 0.00 C ATOM 1646 C ASN A 108 -9.461 -4.484 -4.210 1.00 0.00 C ATOM 1647 O ASN A 108 -9.481 -3.720 -3.245 1.00 0.00 O ATOM 1648 CB ASN A 108 -7.758 -4.759 -6.023 1.00 0.00 C ATOM 1649 CG ASN A 108 -6.254 -4.792 -6.215 1.00 0.00 C ATOM 1650 OD1 ASN A 108 -5.536 -3.917 -5.731 1.00 0.00 O ATOM 1651 ND2 ASN A 108 -5.771 -5.804 -6.927 1.00 0.00 N ATOM 0 H ASN A 108 -8.057 -7.133 -5.418 1.00 0.00 H new ATOM 0 HA ASN A 108 -7.391 -4.929 -3.912 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.230 -5.409 -6.760 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.123 -3.749 -6.208 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.767 -5.878 -7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.404 -6.507 -7.309 1.00 0.00 H new ATOM 1658 N THR A 109 -10.534 -4.739 -4.953 1.00 0.00 N ATOM 1659 CA THR A 109 -11.823 -4.120 -4.670 1.00 0.00 C ATOM 1660 C THR A 109 -12.124 -4.135 -3.176 1.00 0.00 C ATOM 1661 O THR A 109 -12.725 -3.201 -2.645 1.00 0.00 O ATOM 1662 CB THR A 109 -12.964 -4.834 -5.419 1.00 0.00 C ATOM 1663 OG1 THR A 109 -12.787 -4.691 -6.833 1.00 0.00 O ATOM 1664 CG2 THR A 109 -14.316 -4.266 -5.013 1.00 0.00 C ATOM 0 H THR A 109 -10.536 -5.370 -5.755 1.00 0.00 H new ATOM 0 HA THR A 109 -11.761 -3.088 -5.015 1.00 0.00 H new ATOM 0 HB THR A 109 -12.937 -5.891 -5.155 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.097 -5.315 -7.141 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.106 -4.786 -5.555 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.461 -4.402 -3.941 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.351 -3.203 -5.252 1.00 0.00 H new ATOM 1672 N ASP A 110 -11.702 -5.200 -2.503 1.00 0.00 N ATOM 1673 CA ASP A 110 -11.925 -5.335 -1.068 1.00 0.00 C ATOM 1674 C ASP A 110 -10.957 -4.456 -0.282 1.00 0.00 C ATOM 1675 O ASP A 110 -11.365 -3.699 0.599 1.00 0.00 O ATOM 1676 CB ASP A 110 -11.768 -6.796 -0.641 1.00 0.00 C ATOM 1677 CG ASP A 110 -13.024 -7.609 -0.887 1.00 0.00 C ATOM 1678 OD1 ASP A 110 -13.397 -7.783 -2.067 1.00 0.00 O ATOM 1679 OD2 ASP A 110 -13.634 -8.071 0.099 1.00 0.00 O ATOM 0 H ASP A 110 -11.204 -5.982 -2.928 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.942 -5.008 -0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.937 -7.243 -1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.514 -6.837 0.418 1.00 0.00 H new ATOM 1684 N LEU A 111 -9.673 -4.563 -0.606 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.646 -3.778 0.070 1.00 0.00 C ATOM 1686 C LEU A 111 -9.070 -2.318 0.196 1.00 0.00 C ATOM 1687 O LEU A 111 -8.966 -1.720 1.267 1.00 0.00 O ATOM 1688 CB LEU A 111 -7.322 -3.872 -0.690 1.00 0.00 C ATOM 1689 CG LEU A 111 -6.219 -2.914 -0.239 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -5.940 -3.083 1.246 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -4.952 -3.139 -1.051 1.00 0.00 C ATOM 0 H LEU A 111 -9.318 -5.185 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.513 -4.186 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -6.948 -4.892 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.520 -3.695 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.559 -1.893 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.152 -2.393 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.846 -2.871 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.621 -4.107 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.178 -2.448 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.608 -4.164 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.161 -2.966 -2.107 1.00 0.00 H new ATOM 1703 N THR A 112 -9.552 -1.750 -0.905 1.00 0.00 N ATOM 1704 CA THR A 112 -9.994 -0.361 -0.918 1.00 0.00 C ATOM 1705 C THR A 112 -11.223 -0.167 -0.038 1.00 0.00 C ATOM 1706 O THR A 112 -11.291 0.777 0.749 1.00 0.00 O ATOM 1707 CB THR A 112 -10.321 0.111 -2.348 1.00 0.00 C ATOM 1708 OG1 THR A 112 -9.170 -0.037 -3.187 1.00 0.00 O ATOM 1709 CG2 THR A 112 -10.772 1.564 -2.348 1.00 0.00 C ATOM 0 H THR A 112 -9.646 -2.231 -1.800 1.00 0.00 H new ATOM 0 HA THR A 112 -9.171 0.236 -0.525 1.00 0.00 H new ATOM 0 HB THR A 112 -11.133 -0.505 -2.734 1.00 0.00 H new ATOM 0 HG1 THR A 112 -9.386 0.263 -4.095 1.00 0.00 H new ATOM 0 HG21 THR A 112 -10.997 1.875 -3.368 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.665 1.668 -1.731 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.977 2.192 -1.944 1.00 0.00 H new ATOM 1717 N ALA A 113 -12.192 -1.066 -0.175 1.00 0.00 N ATOM 1718 CA ALA A 113 -13.417 -0.995 0.611 1.00 0.00 C ATOM 1719 C ALA A 113 -13.110 -0.934 2.103 1.00 0.00 C ATOM 1720 O ALA A 113 -13.630 -0.079 2.820 1.00 0.00 O ATOM 1721 CB ALA A 113 -14.312 -2.186 0.302 1.00 0.00 C ATOM 0 H ALA A 113 -12.152 -1.852 -0.823 1.00 0.00 H new ATOM 0 HA ALA A 113 -13.942 -0.080 0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -15.223 -2.120 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.568 -2.183 -0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.786 -3.109 0.546 1.00 0.00 H new ATOM 1727 N PHE A 114 -12.263 -1.847 2.566 1.00 0.00 N ATOM 1728 CA PHE A 114 -11.887 -1.899 3.974 1.00 0.00 C ATOM 1729 C PHE A 114 -11.661 -0.495 4.528 1.00 0.00 C ATOM 1730 O PHE A 114 -12.248 -0.113 5.541 1.00 0.00 O ATOM 1731 CB PHE A 114 -10.623 -2.742 4.156 1.00 0.00 C ATOM 1732 CG PHE A 114 -9.809 -2.349 5.356 1.00 0.00 C ATOM 1733 CD1 PHE A 114 -10.276 -2.597 6.637 1.00 0.00 C ATOM 1734 CD2 PHE A 114 -8.578 -1.733 5.203 1.00 0.00 C ATOM 1735 CE1 PHE A 114 -9.529 -2.237 7.743 1.00 0.00 C ATOM 1736 CE2 PHE A 114 -7.827 -1.371 6.305 1.00 0.00 C ATOM 1737 CZ PHE A 114 -8.303 -1.623 7.577 1.00 0.00 C ATOM 0 H PHE A 114 -11.823 -2.562 1.986 1.00 0.00 H new ATOM 0 HA PHE A 114 -12.705 -2.361 4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.905 -3.791 4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.005 -2.654 3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -11.234 -3.077 6.773 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.201 -1.533 4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.904 -2.436 8.736 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.869 -0.891 6.172 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.718 -1.341 8.440 1.00 0.00 H new ATOM 1747 N LEU A 115 -10.805 0.268 3.857 1.00 0.00 N ATOM 1748 CA LEU A 115 -10.499 1.630 4.281 1.00 0.00 C ATOM 1749 C LEU A 115 -11.724 2.529 4.151 1.00 0.00 C ATOM 1750 O LEU A 115 -12.061 3.272 5.073 1.00 0.00 O ATOM 1751 CB LEU A 115 -9.346 2.196 3.451 1.00 0.00 C ATOM 1752 CG LEU A 115 -8.078 1.344 3.394 1.00 0.00 C ATOM 1753 CD1 LEU A 115 -7.324 1.594 2.096 1.00 0.00 C ATOM 1754 CD2 LEU A 115 -7.187 1.632 4.594 1.00 0.00 C ATOM 0 H LEU A 115 -10.311 -0.033 3.017 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.203 1.600 5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.701 2.352 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.084 3.176 3.851 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.368 0.294 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.424 0.979 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.961 1.336 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.046 2.646 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.289 1.017 4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.906 2.685 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.727 1.401 5.512 1.00 0.00 H new ATOM 1766 N GLN A 116 -12.387 2.454 3.001 1.00 0.00 N ATOM 1767 CA GLN A 116 -13.576 3.260 2.752 1.00 0.00 C ATOM 1768 C GLN A 116 -14.530 3.205 3.941 1.00 0.00 C ATOM 1769 O GLN A 116 -15.371 4.087 4.117 1.00 0.00 O ATOM 1770 CB GLN A 116 -14.289 2.778 1.488 1.00 0.00 C ATOM 1771 CG GLN A 116 -13.622 3.236 0.201 1.00 0.00 C ATOM 1772 CD GLN A 116 -14.585 3.292 -0.968 1.00 0.00 C ATOM 1773 OE1 GLN A 116 -15.603 2.600 -0.983 1.00 0.00 O ATOM 1774 NE2 GLN A 116 -14.269 4.120 -1.957 1.00 0.00 N ATOM 0 H GLN A 116 -12.121 1.844 2.228 1.00 0.00 H new ATOM 0 HA GLN A 116 -13.260 4.294 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -14.331 1.689 1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -15.318 3.137 1.502 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -13.185 4.223 0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -12.803 2.558 -0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -13.415 4.675 -1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -14.880 4.201 -2.770 1.00 0.00 H new ATOM 1783 N LYS A 117 -14.394 2.164 4.754 1.00 0.00 N ATOM 1784 CA LYS A 117 -15.243 1.993 5.927 1.00 0.00 C ATOM 1785 C LYS A 117 -14.561 2.539 7.177 1.00 0.00 C ATOM 1786 O LYS A 117 -15.029 3.505 7.781 1.00 0.00 O ATOM 1787 CB LYS A 117 -15.584 0.514 6.125 1.00 0.00 C ATOM 1788 CG LYS A 117 -15.972 0.164 7.551 1.00 0.00 C ATOM 1789 CD LYS A 117 -17.184 0.958 8.010 1.00 0.00 C ATOM 1790 CE LYS A 117 -18.400 0.670 7.143 1.00 0.00 C ATOM 1791 NZ LYS A 117 -19.617 1.364 7.647 1.00 0.00 N ATOM 0 H LYS A 117 -13.703 1.425 4.622 1.00 0.00 H new ATOM 0 HA LYS A 117 -16.163 2.553 5.762 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -16.404 0.247 5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.725 -0.090 5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.187 -0.902 7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -15.132 0.363 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -17.409 0.712 9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -16.956 2.023 7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -18.199 0.986 6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -18.580 -0.405 7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -20.424 1.143 7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -19.824 1.044 8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -19.455 2.391 7.650 1.00 0.00 H new ATOM 1805 N HIS A 118 -13.450 1.917 7.560 1.00 0.00 N ATOM 1806 CA HIS A 118 -12.702 2.343 8.737 1.00 0.00 C ATOM 1807 C HIS A 118 -11.910 3.614 8.447 1.00 0.00 C ATOM 1808 O HIS A 118 -12.192 4.674 9.008 1.00 0.00 O ATOM 1809 CB HIS A 118 -11.755 1.232 9.195 1.00 0.00 C ATOM 1810 CG HIS A 118 -12.450 -0.059 9.499 1.00 0.00 C ATOM 1811 ND1 HIS A 118 -12.571 -0.567 10.775 1.00 0.00 N ATOM 1812 CD2 HIS A 118 -13.065 -0.947 8.683 1.00 0.00 C ATOM 1813 CE1 HIS A 118 -13.228 -1.712 10.731 1.00 0.00 C ATOM 1814 NE2 HIS A 118 -13.539 -1.965 9.472 1.00 0.00 N ATOM 0 H HIS A 118 -13.048 1.116 7.072 1.00 0.00 H new ATOM 0 HA HIS A 118 -13.415 2.554 9.534 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -11.008 1.060 8.420 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -11.220 1.565 10.084 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -13.164 -0.869 7.610 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -13.470 -2.335 11.579 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -14.049 -2.784 9.140 1.00 0.00 H new ATOM 1823 N CYS A 119 -10.920 3.501 7.569 1.00 0.00 N ATOM 1824 CA CYS A 119 -10.086 4.642 7.205 1.00 0.00 C ATOM 1825 C CYS A 119 -10.754 5.479 6.119 1.00 0.00 C ATOM 1826 O CYS A 119 -10.621 5.192 4.929 1.00 0.00 O ATOM 1827 CB CYS A 119 -8.714 4.166 6.728 1.00 0.00 C ATOM 1828 SG CYS A 119 -7.827 3.146 7.929 1.00 0.00 S ATOM 0 H CYS A 119 -10.675 2.631 7.096 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.958 5.264 8.091 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -8.839 3.597 5.807 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -8.104 5.036 6.485 1.00 0.00 H new ATOM 0 HG CYS A 119 -6.810 3.809 8.394 1.00 0.00 H new ATOM 1834 N HIS A 120 -11.474 6.516 6.537 1.00 0.00 N ATOM 1835 CA HIS A 120 -12.164 7.395 5.600 1.00 0.00 C ATOM 1836 C HIS A 120 -11.990 8.857 5.997 1.00 0.00 C ATOM 1837 O HIS A 120 -12.197 9.226 7.153 1.00 0.00 O ATOM 1838 CB HIS A 120 -13.651 7.044 5.540 1.00 0.00 C ATOM 1839 CG HIS A 120 -14.354 7.618 4.348 1.00 0.00 C ATOM 1840 ND1 HIS A 120 -15.702 7.909 4.337 1.00 0.00 N ATOM 1841 CD2 HIS A 120 -13.888 7.956 3.123 1.00 0.00 C ATOM 1842 CE1 HIS A 120 -16.034 8.400 3.157 1.00 0.00 C ATOM 1843 NE2 HIS A 120 -14.951 8.439 2.401 1.00 0.00 N ATOM 0 H HIS A 120 -11.594 6.768 7.518 1.00 0.00 H new ATOM 0 HA HIS A 120 -11.724 7.251 4.613 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -13.760 5.960 5.528 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.138 7.403 6.447 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -12.869 7.863 2.778 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -17.023 8.716 2.860 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -14.911 8.773 1.438 1.00 0.00 H new ATOM 1852 N GLY A 121 -11.606 9.687 5.031 1.00 0.00 N ATOM 1853 CA GLY A 121 -11.409 11.099 5.301 1.00 0.00 C ATOM 1854 C GLY A 121 -10.183 11.361 6.153 1.00 0.00 C ATOM 1855 O GLY A 121 -10.182 12.265 6.989 1.00 0.00 O ATOM 0 H GLY A 121 -11.428 9.406 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -11.313 11.636 4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -12.290 11.496 5.806 1.00 0.00 H new ATOM 1859 N ASP A 122 -9.138 10.569 5.942 1.00 0.00 N ATOM 1860 CA ASP A 122 -7.900 10.719 6.698 1.00 0.00 C ATOM 1861 C ASP A 122 -6.713 10.175 5.910 1.00 0.00 C ATOM 1862 O ASP A 122 -6.863 9.719 4.776 1.00 0.00 O ATOM 1863 CB ASP A 122 -8.008 10.000 8.043 1.00 0.00 C ATOM 1864 CG ASP A 122 -9.315 10.293 8.753 1.00 0.00 C ATOM 1865 OD1 ASP A 122 -9.380 11.306 9.481 1.00 0.00 O ATOM 1866 OD2 ASP A 122 -10.272 9.510 8.582 1.00 0.00 O ATOM 0 H ASP A 122 -9.123 9.816 5.254 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.738 11.782 6.876 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.916 8.925 7.886 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.176 10.301 8.680 1.00 0.00 H new ATOM 1871 N VAL A 123 -5.532 10.226 6.517 1.00 0.00 N ATOM 1872 CA VAL A 123 -4.318 9.738 5.873 1.00 0.00 C ATOM 1873 C VAL A 123 -3.795 8.484 6.564 1.00 0.00 C ATOM 1874 O VAL A 123 -3.213 8.556 7.647 1.00 0.00 O ATOM 1875 CB VAL A 123 -3.212 10.810 5.874 1.00 0.00 C ATOM 1876 CG1 VAL A 123 -3.653 12.034 5.085 1.00 0.00 C ATOM 1877 CG2 VAL A 123 -2.841 11.190 7.299 1.00 0.00 C ATOM 0 H VAL A 123 -5.390 10.601 7.455 1.00 0.00 H new ATOM 0 HA VAL A 123 -4.581 9.499 4.843 1.00 0.00 H new ATOM 0 HB VAL A 123 -2.328 10.395 5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -2.859 12.780 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.865 11.746 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.552 12.454 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -2.058 11.948 7.281 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.718 11.586 7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.480 10.308 7.828 1.00 0.00 H new ATOM 1887 N CYS A 124 -4.007 7.335 5.930 1.00 0.00 N ATOM 1888 CA CYS A 124 -3.557 6.063 6.484 1.00 0.00 C ATOM 1889 C CYS A 124 -3.295 5.049 5.375 1.00 0.00 C ATOM 1890 O CYS A 124 -4.228 4.501 4.788 1.00 0.00 O ATOM 1891 CB CYS A 124 -4.597 5.511 7.460 1.00 0.00 C ATOM 1892 SG CYS A 124 -4.453 6.165 9.140 1.00 0.00 S ATOM 0 H CYS A 124 -4.487 7.259 5.033 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.624 6.238 7.019 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -5.593 5.736 7.078 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.506 4.425 7.495 1.00 0.00 H new ATOM 0 HG CYS A 124 -3.905 7.343 9.102 1.00 0.00 H new ATOM 1898 N ILE A 125 -2.019 4.807 5.092 1.00 0.00 N ATOM 1899 CA ILE A 125 -1.635 3.860 4.053 1.00 0.00 C ATOM 1900 C ILE A 125 -1.386 2.473 4.637 1.00 0.00 C ATOM 1901 O ILE A 125 -1.985 1.488 4.204 1.00 0.00 O ATOM 1902 CB ILE A 125 -0.370 4.325 3.307 1.00 0.00 C ATOM 1903 CG1 ILE A 125 -0.644 5.632 2.560 1.00 0.00 C ATOM 1904 CG2 ILE A 125 0.103 3.247 2.343 1.00 0.00 C ATOM 1905 CD1 ILE A 125 -1.589 5.473 1.390 1.00 0.00 C ATOM 0 H ILE A 125 -1.235 5.253 5.567 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.465 3.811 3.349 1.00 0.00 H new ATOM 0 HB ILE A 125 0.419 4.504 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.061 6.359 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.301 6.040 2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.998 3.591 1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.333 2.338 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.682 3.040 1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.737 6.439 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.165 4.771 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.547 5.094 1.745 1.00 0.00 H new ATOM 1917 N LEU A 126 -0.500 2.404 5.624 1.00 0.00 N ATOM 1918 CA LEU A 126 -0.172 1.138 6.270 1.00 0.00 C ATOM 1919 C LEU A 126 -1.431 0.318 6.531 1.00 0.00 C ATOM 1920 O LEU A 126 -1.465 -0.885 6.274 1.00 0.00 O ATOM 1921 CB LEU A 126 0.567 1.390 7.586 1.00 0.00 C ATOM 1922 CG LEU A 126 2.091 1.471 7.494 1.00 0.00 C ATOM 1923 CD1 LEU A 126 2.673 2.047 8.775 1.00 0.00 C ATOM 1924 CD2 LEU A 126 2.682 0.097 7.209 1.00 0.00 C ATOM 0 H LEU A 126 0.004 3.210 5.995 1.00 0.00 H new ATOM 0 HA LEU A 126 0.475 0.573 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.199 2.322 8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.307 0.594 8.284 1.00 0.00 H new ATOM 0 HG LEU A 126 2.351 2.135 6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.759 2.097 8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.275 3.049 8.937 1.00 0.00 H new ATOM 0 HD13 LEU A 126 2.403 1.409 9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.768 0.174 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.412 -0.589 8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.290 -0.279 6.264 1.00 0.00 H new ATOM 1936 N ASN A 127 -2.466 0.978 7.042 1.00 0.00 N ATOM 1937 CA ASN A 127 -3.729 0.310 7.335 1.00 0.00 C ATOM 1938 C ASN A 127 -4.073 -0.705 6.250 1.00 0.00 C ATOM 1939 O ASN A 127 -4.582 -1.788 6.537 1.00 0.00 O ATOM 1940 CB ASN A 127 -4.855 1.337 7.465 1.00 0.00 C ATOM 1941 CG ASN A 127 -4.995 1.867 8.879 1.00 0.00 C ATOM 1942 OD1 ASN A 127 -5.892 1.462 9.619 1.00 0.00 O ATOM 1943 ND2 ASN A 127 -4.107 2.776 9.261 1.00 0.00 N ATOM 0 H ASN A 127 -2.455 1.974 7.262 1.00 0.00 H new ATOM 0 HA ASN A 127 -3.619 -0.220 8.281 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -4.665 2.168 6.786 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -5.796 0.881 7.156 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -4.151 3.168 10.202 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -3.380 3.082 8.614 1.00 0.00 H new ATOM 1950 N ALA A 128 -3.791 -0.347 5.001 1.00 0.00 N ATOM 1951 CA ALA A 128 -4.068 -1.226 3.873 1.00 0.00 C ATOM 1952 C ALA A 128 -3.128 -2.427 3.869 1.00 0.00 C ATOM 1953 O ALA A 128 -3.554 -3.563 3.657 1.00 0.00 O ATOM 1954 CB ALA A 128 -3.952 -0.458 2.564 1.00 0.00 C ATOM 0 H ALA A 128 -3.371 0.547 4.746 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.088 -1.596 3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.162 -1.127 1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.669 0.363 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.943 -0.059 2.464 1.00 0.00 H new ATOM 1960 N THR A 129 -1.844 -2.169 4.103 1.00 0.00 N ATOM 1961 CA THR A 129 -0.843 -3.227 4.124 1.00 0.00 C ATOM 1962 C THR A 129 -1.166 -4.268 5.190 1.00 0.00 C ATOM 1963 O THR A 129 -0.931 -5.460 4.997 1.00 0.00 O ATOM 1964 CB THR A 129 0.566 -2.663 4.384 1.00 0.00 C ATOM 1965 OG1 THR A 129 0.629 -2.087 5.694 1.00 0.00 O ATOM 1966 CG2 THR A 129 0.928 -1.612 3.345 1.00 0.00 C ATOM 0 H THR A 129 -1.474 -1.235 4.281 1.00 0.00 H new ATOM 0 HA THR A 129 -0.861 -3.699 3.142 1.00 0.00 H new ATOM 0 HB THR A 129 1.281 -3.483 4.313 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.239 -1.691 5.919 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.927 -1.228 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.907 -2.060 2.352 1.00 0.00 H new ATOM 0 HG23 THR A 129 0.209 -0.794 3.389 1.00 0.00 H new ATOM 1974 N GLU A 130 -1.706 -3.809 6.315 1.00 0.00 N ATOM 1975 CA GLU A 130 -2.061 -4.702 7.411 1.00 0.00 C ATOM 1976 C GLU A 130 -3.342 -5.468 7.096 1.00 0.00 C ATOM 1977 O GLU A 130 -3.643 -6.481 7.728 1.00 0.00 O ATOM 1978 CB GLU A 130 -2.233 -3.909 8.709 1.00 0.00 C ATOM 1979 CG GLU A 130 -0.952 -3.256 9.198 1.00 0.00 C ATOM 1980 CD GLU A 130 -1.047 -2.790 10.638 1.00 0.00 C ATOM 1981 OE1 GLU A 130 -1.661 -3.508 11.455 1.00 0.00 O ATOM 1982 OE2 GLU A 130 -0.507 -1.707 10.948 1.00 0.00 O ATOM 0 H GLU A 130 -1.907 -2.825 6.491 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.251 -5.420 7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -2.988 -3.138 8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.610 -4.576 9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.129 -3.964 9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.716 -2.405 8.559 1.00 0.00 H new ATOM 1989 N TRP A 131 -4.093 -4.976 6.117 1.00 0.00 N ATOM 1990 CA TRP A 131 -5.343 -5.613 5.719 1.00 0.00 C ATOM 1991 C TRP A 131 -5.117 -6.575 4.557 1.00 0.00 C ATOM 1992 O TRP A 131 -5.945 -7.446 4.290 1.00 0.00 O ATOM 1993 CB TRP A 131 -6.376 -4.556 5.328 1.00 0.00 C ATOM 1994 CG TRP A 131 -7.667 -5.140 4.837 1.00 0.00 C ATOM 1995 CD1 TRP A 131 -8.860 -5.165 5.501 1.00 0.00 C ATOM 1996 CD2 TRP A 131 -7.892 -5.783 3.578 1.00 0.00 C ATOM 1997 NE1 TRP A 131 -9.813 -5.786 4.731 1.00 0.00 N ATOM 1998 CE2 TRP A 131 -9.245 -6.174 3.546 1.00 0.00 C ATOM 1999 CE3 TRP A 131 -7.083 -6.066 2.474 1.00 0.00 C ATOM 2000 CZ2 TRP A 131 -9.804 -6.832 2.454 1.00 0.00 C ATOM 2001 CZ3 TRP A 131 -7.640 -6.720 1.391 1.00 0.00 C ATOM 2002 CH2 TRP A 131 -8.989 -7.096 1.387 1.00 0.00 C ATOM 0 H TRP A 131 -3.858 -4.138 5.584 1.00 0.00 H new ATOM 0 HA TRP A 131 -5.720 -6.181 6.570 1.00 0.00 H new ATOM 0 HB2 TRP A 131 -6.578 -3.919 6.189 1.00 0.00 H new ATOM 0 HB3 TRP A 131 -5.956 -3.917 4.551 1.00 0.00 H new ATOM 0 HD1 TRP A 131 -9.029 -4.757 6.486 1.00 0.00 H new ATOM 0 HE1 TRP A 131 -10.786 -5.934 4.998 1.00 0.00 H new ATOM 0 HE3 TRP A 131 -6.042 -5.779 2.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 -10.844 -7.124 2.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 -7.024 -6.945 0.533 1.00 0.00 H new ATOM 0 HH2 TRP A 131 -9.394 -7.604 0.525 1.00 0.00 H new ATOM 2013 N VAL A 132 -3.991 -6.412 3.870 1.00 0.00 N ATOM 2014 CA VAL A 132 -3.656 -7.267 2.737 1.00 0.00 C ATOM 2015 C VAL A 132 -2.937 -8.531 3.197 1.00 0.00 C ATOM 2016 O VAL A 132 -3.387 -9.645 2.929 1.00 0.00 O ATOM 2017 CB VAL A 132 -2.769 -6.528 1.718 1.00 0.00 C ATOM 2018 CG1 VAL A 132 -2.170 -7.507 0.721 1.00 0.00 C ATOM 2019 CG2 VAL A 132 -3.566 -5.447 1.004 1.00 0.00 C ATOM 0 H VAL A 132 -3.295 -5.696 4.078 1.00 0.00 H new ATOM 0 HA VAL A 132 -4.596 -7.540 2.258 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.951 -6.049 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.547 -6.966 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.562 -8.240 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.971 -8.018 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.924 -4.935 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.406 -5.901 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.940 -4.729 1.734 1.00 0.00 H new ATOM 2029 N ARG A 133 -1.819 -8.350 3.891 1.00 0.00 N ATOM 2030 CA ARG A 133 -1.037 -9.476 4.387 1.00 0.00 C ATOM 2031 C ARG A 133 -1.945 -10.548 4.983 1.00 0.00 C ATOM 2032 O ARG A 133 -1.621 -11.734 4.957 1.00 0.00 O ATOM 2033 CB ARG A 133 -0.031 -9.003 5.439 1.00 0.00 C ATOM 2034 CG ARG A 133 -0.678 -8.341 6.645 1.00 0.00 C ATOM 2035 CD ARG A 133 0.307 -8.196 7.795 1.00 0.00 C ATOM 2036 NE ARG A 133 0.584 -9.476 8.442 1.00 0.00 N ATOM 2037 CZ ARG A 133 1.483 -9.632 9.407 1.00 0.00 C ATOM 2038 NH1 ARG A 133 2.188 -8.594 9.835 1.00 0.00 N ATOM 2039 NH2 ARG A 133 1.678 -10.828 9.947 1.00 0.00 N ATOM 0 H ARG A 133 -1.434 -7.434 4.123 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.496 -9.908 3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 133 0.558 -9.856 5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.662 -8.300 4.977 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.057 -7.359 6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.534 -8.932 6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 133 1.238 -7.769 7.423 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.093 -7.497 8.530 1.00 0.00 H new ATOM 0 HE ARG A 133 0.058 -10.295 8.136 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.041 -7.673 9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.878 -8.717 10.576 1.00 0.00 H new ATOM 0 HH21 ARG A 133 1.137 -11.629 9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.369 -10.946 10.688 1.00 0.00 H new ATOM 2053 N GLU A 134 -3.084 -10.120 5.520 1.00 0.00 N ATOM 2054 CA GLU A 134 -4.037 -11.043 6.124 1.00 0.00 C ATOM 2055 C GLU A 134 -4.981 -11.616 5.070 1.00 0.00 C ATOM 2056 O GLU A 134 -4.936 -12.808 4.763 1.00 0.00 O ATOM 2057 CB GLU A 134 -4.843 -10.337 7.216 1.00 0.00 C ATOM 2058 CG GLU A 134 -5.878 -11.228 7.882 1.00 0.00 C ATOM 2059 CD GLU A 134 -6.933 -10.438 8.632 1.00 0.00 C ATOM 2060 OE1 GLU A 134 -6.555 -9.555 9.430 1.00 0.00 O ATOM 2061 OE2 GLU A 134 -8.135 -10.704 8.423 1.00 0.00 O ATOM 0 H GLU A 134 -3.368 -9.141 5.549 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.476 -11.864 6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -4.158 -9.960 7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -5.345 -9.472 6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -6.362 -11.845 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -5.377 -11.906 8.573 1.00 0.00 H new ATOM 2068 N HIS A 135 -5.835 -10.759 4.520 1.00 0.00 N ATOM 2069 CA HIS A 135 -6.790 -11.180 3.501 1.00 0.00 C ATOM 2070 C HIS A 135 -6.086 -11.932 2.375 1.00 0.00 C ATOM 2071 O HIS A 135 -6.471 -13.047 2.026 1.00 0.00 O ATOM 2072 CB HIS A 135 -7.531 -9.968 2.935 1.00 0.00 C ATOM 2073 CG HIS A 135 -8.750 -9.592 3.720 1.00 0.00 C ATOM 2074 ND1 HIS A 135 -9.972 -10.207 3.553 1.00 0.00 N ATOM 2075 CD2 HIS A 135 -8.929 -8.657 4.683 1.00 0.00 C ATOM 2076 CE1 HIS A 135 -10.851 -9.667 4.378 1.00 0.00 C ATOM 2077 NE2 HIS A 135 -10.244 -8.723 5.075 1.00 0.00 N ATOM 0 H HIS A 135 -5.885 -9.770 4.763 1.00 0.00 H new ATOM 0 HA HIS A 135 -7.510 -11.851 3.968 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -6.850 -9.117 2.906 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.822 -10.178 1.906 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -8.178 -7.985 5.071 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -11.890 -9.949 4.468 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -10.681 -8.139 5.788 1.00 0.00 H new ATOM 2086 N ALA A 136 -5.055 -11.313 1.811 1.00 0.00 N ATOM 2087 CA ALA A 136 -4.297 -11.924 0.725 1.00 0.00 C ATOM 2088 C ALA A 136 -4.227 -13.438 0.890 1.00 0.00 C ATOM 2089 O ALA A 136 -4.834 -14.185 0.123 1.00 0.00 O ATOM 2090 CB ALA A 136 -2.897 -11.332 0.660 1.00 0.00 C ATOM 0 H ALA A 136 -4.725 -10.388 2.088 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.813 -11.710 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -2.343 -11.797 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.964 -10.258 0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.380 -11.516 1.602 1.00 0.00 H new ATOM 2096 N SER A 137 -3.481 -13.885 1.896 1.00 0.00 N ATOM 2097 CA SER A 137 -3.327 -15.311 2.158 1.00 0.00 C ATOM 2098 C SER A 137 -4.623 -16.061 1.864 1.00 0.00 C ATOM 2099 O SER A 137 -4.610 -17.137 1.268 1.00 0.00 O ATOM 2100 CB SER A 137 -2.910 -15.542 3.612 1.00 0.00 C ATOM 2101 OG SER A 137 -3.860 -14.992 4.509 1.00 0.00 O ATOM 0 H SER A 137 -2.974 -13.280 2.542 1.00 0.00 H new ATOM 0 HA SER A 137 -2.548 -15.694 1.499 1.00 0.00 H new ATOM 0 HB2 SER A 137 -2.806 -16.611 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 137 -1.934 -15.091 3.790 1.00 0.00 H new ATOM 0 HG SER A 137 -4.022 -14.053 4.278 1.00 0.00 H new ATOM 2107 N GLY A 138 -5.743 -15.483 2.289 1.00 0.00 N ATOM 2108 CA GLY A 138 -7.033 -16.109 2.062 1.00 0.00 C ATOM 2109 C GLY A 138 -7.328 -16.312 0.590 1.00 0.00 C ATOM 2110 O GLY A 138 -7.724 -17.402 0.174 1.00 0.00 O ATOM 0 H GLY A 138 -5.780 -14.593 2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.060 -17.072 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.815 -15.492 2.504 1.00 0.00 H new ATOM 2114 N TYR A 139 -7.137 -15.262 -0.201 1.00 0.00 N ATOM 2115 CA TYR A 139 -7.390 -15.330 -1.635 1.00 0.00 C ATOM 2116 C TYR A 139 -6.463 -16.340 -2.305 1.00 0.00 C ATOM 2117 O TYR A 139 -6.913 -17.233 -3.023 1.00 0.00 O ATOM 2118 CB TYR A 139 -7.205 -13.951 -2.272 1.00 0.00 C ATOM 2119 CG TYR A 139 -8.299 -12.969 -1.918 1.00 0.00 C ATOM 2120 CD1 TYR A 139 -9.447 -12.869 -2.695 1.00 0.00 C ATOM 2121 CD2 TYR A 139 -8.185 -12.142 -0.808 1.00 0.00 C ATOM 2122 CE1 TYR A 139 -10.449 -11.973 -2.376 1.00 0.00 C ATOM 2123 CE2 TYR A 139 -9.182 -11.244 -0.481 1.00 0.00 C ATOM 2124 CZ TYR A 139 -10.312 -11.163 -1.268 1.00 0.00 C ATOM 2125 OH TYR A 139 -11.307 -10.269 -0.946 1.00 0.00 O ATOM 0 H TYR A 139 -6.808 -14.354 0.127 1.00 0.00 H new ATOM 0 HA TYR A 139 -8.420 -15.656 -1.782 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -6.245 -13.541 -1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -7.165 -14.063 -3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -9.558 -13.502 -3.563 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -7.301 -12.202 -0.190 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -11.335 -11.907 -2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -9.078 -10.609 0.386 1.00 0.00 H new ATOM 0 HH TYR A 139 -11.055 -9.776 -0.137 1.00 0.00 H new ATOM 2135 N VAL A 140 -5.164 -16.192 -2.064 1.00 0.00 N ATOM 2136 CA VAL A 140 -4.172 -17.092 -2.641 1.00 0.00 C ATOM 2137 C VAL A 140 -4.641 -18.541 -2.578 1.00 0.00 C ATOM 2138 O VAL A 140 -4.602 -19.171 -1.521 1.00 0.00 O ATOM 2139 CB VAL A 140 -2.817 -16.971 -1.918 1.00 0.00 C ATOM 2140 CG1 VAL A 140 -1.803 -17.931 -2.520 1.00 0.00 C ATOM 2141 CG2 VAL A 140 -2.308 -15.538 -1.977 1.00 0.00 C ATOM 0 H VAL A 140 -4.774 -15.458 -1.473 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.047 -16.799 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 140 -2.958 -17.239 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -0.852 -17.831 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -2.167 -18.954 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -1.662 -17.697 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.350 -15.471 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -2.182 -15.239 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.027 -14.876 -1.494 1.00 0.00 H new