USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 891 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 89 GLN :FLIP amide:sc= -4.65! C(o=-5!,f=-3.9!) USER MOD Set 1.2: A 97 TYR OH : rot -19:sc= 0.75 USER MOD Set 2.1: A 73 LYS NZ :NH3+ 150:sc= 0.611 (180deg=0) USER MOD Set 2.2: A 74 ASN :FLIP amide:sc= 0.39 F(o=-1.9,f=0.92) USER MOD Set 2.3: A 75 ASN : amide:sc= -0.0833 K(o=0.92,f=-0.9) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= -1.23 (180deg=-1.62!) USER MOD Single : A 40 HIS : no HD1:sc= -0.567 X(o=-0.57,f=-0.076) USER MOD Single : A 43 MET CE :methyl -98:sc= -3.7! (180deg=-7.62!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.07) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= -0.404 (180deg=-0.404) USER MOD Single : A 70 TYR OH : rot -56:sc= -0.701 USER MOD Single : A 71 ASN : amide:sc= -4.03 K(o=-4,f=-6.6!) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.67 F(o=-2.2,f=-1.7) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= 0.905 (180deg=-0.671) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 144:sc= -3.82 (180deg=-6.95!) USER MOD Single : A 95 MET CE :methyl -163:sc= -3.2! (180deg=-3.84!) USER MOD Single : A 96 HIS :FLIP no HE2:sc= -1.88 F(o=-2.8,f=-1.9) USER MOD Single : A 99 THR OG1 : rot -150:sc= -1.08 USER MOD Single : A 103 ASN : amide:sc= -0.581 K(o=-0.58,f=-7.2!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 173:sc= -1.21! (180deg=-1.32!) USER MOD Single : A 109 LYS NZ :NH3+ -155:sc= 0.42 (180deg=0.168) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -109:sc= -0.602 (180deg=-1.94!) USER MOD Single : A 118 GLN : amide:sc= -6.65 K(o=-6.7,f=-16!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.227 F(o=-1,f=-0.23) USER MOD Single : A 125 GLN : amide:sc= -1.25 K(o=-1.3,f=-5.4!) USER MOD Single : A 127 GLN : amide:sc= -7.04 K(o=-7,f=-9.1!) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 6 6.583 7.973 11.592 1.00 0.00 N ATOM 75 CA PRO A 6 5.476 7.798 12.539 1.00 0.00 C ATOM 76 C PRO A 6 4.979 9.127 13.100 1.00 0.00 C ATOM 77 O PRO A 6 5.774 9.993 13.467 1.00 0.00 O ATOM 78 CB PRO A 6 6.084 6.942 13.654 1.00 0.00 C ATOM 79 CG PRO A 6 7.234 6.243 13.015 1.00 0.00 C ATOM 80 CD PRO A 6 7.773 7.196 11.987 1.00 0.00 C ATOM 0 HA PRO A 6 4.606 7.344 12.065 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.412 7.558 14.491 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.358 6.230 14.047 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.996 5.991 13.752 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.916 5.309 12.553 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.553 7.836 12.400 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.210 6.669 11.139 1.00 0.00 H new ATOM 88 N LYS A 7 3.661 9.281 13.163 1.00 0.00 N ATOM 89 CA LYS A 7 3.057 10.504 13.680 1.00 0.00 C ATOM 90 C LYS A 7 3.458 11.709 12.835 1.00 0.00 C ATOM 91 O LYS A 7 4.509 12.311 13.054 1.00 0.00 O ATOM 92 CB LYS A 7 3.471 10.727 15.136 1.00 0.00 C ATOM 93 CG LYS A 7 2.569 10.028 16.139 1.00 0.00 C ATOM 94 CD LYS A 7 3.344 9.575 17.365 1.00 0.00 C ATOM 95 CE LYS A 7 3.827 8.141 17.222 1.00 0.00 C ATOM 96 NZ LYS A 7 3.827 7.421 18.525 1.00 0.00 N1+ ATOM 0 H LYS A 7 2.990 8.574 12.862 1.00 0.00 H new ATOM 0 HA LYS A 7 1.974 10.393 13.631 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.493 10.375 15.272 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.472 11.797 15.345 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.769 10.703 16.442 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.097 9.166 15.667 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.198 10.234 17.520 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.711 9.660 18.248 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.188 7.612 16.515 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.834 8.137 16.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.163 6.447 18.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.457 7.911 19.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.861 7.402 18.911 1.00 0.00 H new ATOM 110 N LYS A 8 2.614 12.056 11.869 1.00 0.00 N ATOM 111 CA LYS A 8 2.879 13.189 10.991 1.00 0.00 C ATOM 112 C LYS A 8 1.670 13.489 10.108 1.00 0.00 C ATOM 113 O LYS A 8 0.773 12.658 9.967 1.00 0.00 O ATOM 114 CB LYS A 8 4.106 12.910 10.119 1.00 0.00 C ATOM 115 CG LYS A 8 5.405 13.430 10.712 1.00 0.00 C ATOM 116 CD LYS A 8 6.378 13.863 9.628 1.00 0.00 C ATOM 117 CE LYS A 8 6.134 15.302 9.201 1.00 0.00 C ATOM 118 NZ LYS A 8 5.408 15.381 7.903 1.00 0.00 N1+ ATOM 0 H LYS A 8 1.740 11.568 11.674 1.00 0.00 H new ATOM 0 HA LYS A 8 3.076 14.061 11.615 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.193 11.835 9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.956 13.364 9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.194 14.272 11.371 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.863 12.653 11.325 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.400 13.759 9.993 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.279 13.205 8.765 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.559 15.816 9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.088 15.822 9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.939 16.306 7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.083 15.266 7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.694 14.626 7.858 1.00 0.00 H new ATOM 132 N PRO A 9 1.631 14.686 9.498 1.00 0.00 N ATOM 133 CA PRO A 9 0.524 15.091 8.624 1.00 0.00 C ATOM 134 C PRO A 9 0.471 14.267 7.342 1.00 0.00 C ATOM 135 O PRO A 9 1.297 13.380 7.129 1.00 0.00 O ATOM 136 CB PRO A 9 0.835 16.556 8.305 1.00 0.00 C ATOM 137 CG PRO A 9 2.306 16.686 8.500 1.00 0.00 C ATOM 138 CD PRO A 9 2.660 15.736 9.610 1.00 0.00 C ATOM 0 HA PRO A 9 -0.445 14.944 9.100 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.548 16.808 7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.288 17.229 8.965 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.845 16.437 7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.577 17.709 8.760 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.664 15.330 9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.631 16.226 10.583 1.00 0.00 H new ATOM 146 N VAL A 10 -0.507 14.563 6.492 1.00 0.00 N ATOM 147 CA VAL A 10 -0.665 13.847 5.233 1.00 0.00 C ATOM 148 C VAL A 10 -1.248 14.754 4.149 1.00 0.00 C ATOM 149 O VAL A 10 -1.921 15.740 4.448 1.00 0.00 O ATOM 150 CB VAL A 10 -1.564 12.603 5.403 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.136 11.797 6.620 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.030 12.999 5.511 1.00 0.00 C ATOM 0 H VAL A 10 -1.201 15.293 6.653 1.00 0.00 H new ATOM 0 HA VAL A 10 0.329 13.523 4.925 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.448 11.979 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.781 10.924 6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.103 11.472 6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.217 12.416 7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.641 12.104 5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.168 13.650 6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.332 13.527 4.606 1.00 0.00 H new ATOM 162 N PRO A 11 -0.994 14.427 2.871 1.00 0.00 N ATOM 163 CA PRO A 11 -1.494 15.211 1.739 1.00 0.00 C ATOM 164 C PRO A 11 -2.977 14.969 1.478 1.00 0.00 C ATOM 165 O PRO A 11 -3.673 14.372 2.299 1.00 0.00 O ATOM 166 CB PRO A 11 -0.655 14.700 0.569 1.00 0.00 C ATOM 167 CG PRO A 11 -0.327 13.293 0.931 1.00 0.00 C ATOM 168 CD PRO A 11 -0.200 13.265 2.431 1.00 0.00 C ATOM 0 HA PRO A 11 -1.409 16.284 1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.209 14.750 -0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.248 15.297 0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.108 12.612 0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.601 12.975 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.586 12.335 2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.840 13.348 2.746 1.00 0.00 H new ATOM 176 N ALA A 12 -3.455 15.435 0.328 1.00 0.00 N ATOM 177 CA ALA A 12 -4.855 15.268 -0.042 1.00 0.00 C ATOM 178 C ALA A 12 -4.986 14.738 -1.465 1.00 0.00 C ATOM 179 O ALA A 12 -4.539 15.374 -2.420 1.00 0.00 O ATOM 180 CB ALA A 12 -5.600 16.587 0.102 1.00 0.00 C ATOM 0 H ALA A 12 -2.893 15.931 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.299 14.537 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.644 16.447 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.543 16.926 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.147 17.334 -0.550 1.00 0.00 H new ATOM 186 N ALA A 13 -5.601 13.567 -1.601 1.00 0.00 N ATOM 187 CA ALA A 13 -5.791 12.950 -2.908 1.00 0.00 C ATOM 188 C ALA A 13 -6.606 11.666 -2.797 1.00 0.00 C ATOM 189 O ALA A 13 -6.660 11.043 -1.737 1.00 0.00 O ATOM 190 CB ALA A 13 -4.445 12.667 -3.558 1.00 0.00 C ATOM 0 H ALA A 13 -5.976 13.027 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.346 13.649 -3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.602 12.206 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.897 13.601 -3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.870 11.990 -2.925 1.00 0.00 H new ATOM 196 N GLU A 14 -7.239 11.276 -3.899 1.00 0.00 N ATOM 197 CA GLU A 14 -8.052 10.065 -3.926 1.00 0.00 C ATOM 198 C GLU A 14 -8.601 9.811 -5.327 1.00 0.00 C ATOM 199 O GLU A 14 -9.592 10.415 -5.735 1.00 0.00 O ATOM 200 CB GLU A 14 -9.204 10.177 -2.925 1.00 0.00 C ATOM 201 CG GLU A 14 -8.921 9.499 -1.594 1.00 0.00 C ATOM 202 CD GLU A 14 -10.127 8.761 -1.047 1.00 0.00 C ATOM 203 OE1 GLU A 14 -10.317 7.582 -1.412 1.00 0.00 O1- ATOM 204 OE2 GLU A 14 -10.882 9.362 -0.255 1.00 0.00 O ATOM 0 H GLU A 14 -7.205 11.781 -4.785 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.418 9.224 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.420 11.231 -2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.100 9.738 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.095 8.798 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.599 10.248 -0.870 1.00 0.00 H new ATOM 211 N GLU A 15 -7.950 8.912 -6.058 1.00 0.00 N ATOM 212 CA GLU A 15 -8.374 8.577 -7.413 1.00 0.00 C ATOM 213 C GLU A 15 -7.506 7.467 -7.997 1.00 0.00 C ATOM 214 O GLU A 15 -6.474 7.109 -7.430 1.00 0.00 O ATOM 215 CB GLU A 15 -8.311 9.815 -8.310 1.00 0.00 C ATOM 216 CG GLU A 15 -6.986 10.556 -8.232 1.00 0.00 C ATOM 217 CD GLU A 15 -7.012 11.876 -8.977 1.00 0.00 C ATOM 218 OE1 GLU A 15 -7.589 11.922 -10.084 1.00 0.00 O1- ATOM 219 OE2 GLU A 15 -6.455 12.864 -8.454 1.00 0.00 O ATOM 0 H GLU A 15 -7.127 8.403 -5.735 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.403 8.222 -7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.490 9.515 -9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.116 10.496 -8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.737 10.738 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.197 9.926 -8.643 1.00 0.00 H new ATOM 226 N ALA A 16 -7.930 6.928 -9.135 1.00 0.00 N ATOM 227 CA ALA A 16 -7.192 5.860 -9.798 1.00 0.00 C ATOM 228 C ALA A 16 -6.979 6.175 -11.276 1.00 0.00 C ATOM 229 O ALA A 16 -7.663 7.028 -11.842 1.00 0.00 O ATOM 230 CB ALA A 16 -7.925 4.536 -9.639 1.00 0.00 C ATOM 0 H ALA A 16 -8.782 7.214 -9.618 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.213 5.780 -9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.363 3.747 -10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.021 4.298 -8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.917 4.613 -10.085 1.00 0.00 H new ATOM 236 N PRO A 17 -6.021 5.488 -11.923 1.00 0.00 N ATOM 237 CA PRO A 17 -5.721 5.700 -13.342 1.00 0.00 C ATOM 238 C PRO A 17 -6.808 5.142 -14.254 1.00 0.00 C ATOM 239 O PRO A 17 -7.617 4.313 -13.837 1.00 0.00 O ATOM 240 CB PRO A 17 -4.410 4.938 -13.544 1.00 0.00 C ATOM 241 CG PRO A 17 -4.433 3.870 -12.506 1.00 0.00 C ATOM 242 CD PRO A 17 -5.158 4.452 -11.323 1.00 0.00 C ATOM 0 HA PRO A 17 -5.657 6.759 -13.592 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.348 4.515 -14.547 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.548 5.593 -13.420 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.942 2.979 -12.875 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.421 3.570 -12.234 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.743 3.696 -10.799 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.465 4.878 -10.597 1.00 0.00 H new ATOM 499 N GLU A 36 -9.473 -0.676 -6.375 1.00 0.00 N ATOM 500 CA GLU A 36 -8.607 -1.226 -5.339 1.00 0.00 C ATOM 501 C GLU A 36 -9.230 -1.048 -3.956 1.00 0.00 C ATOM 502 O GLU A 36 -9.022 -0.028 -3.300 1.00 0.00 O ATOM 503 CB GLU A 36 -7.235 -0.552 -5.383 1.00 0.00 C ATOM 504 CG GLU A 36 -6.319 -1.105 -6.462 1.00 0.00 C ATOM 505 CD GLU A 36 -6.693 -0.620 -7.849 1.00 0.00 C ATOM 506 OE1 GLU A 36 -6.540 0.591 -8.116 1.00 0.00 O1- ATOM 507 OE2 GLU A 36 -7.140 -1.450 -8.668 1.00 0.00 O ATOM 0 HA GLU A 36 -8.487 -2.293 -5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.370 0.517 -5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.751 -0.668 -4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.291 -0.815 -6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.354 -2.194 -6.440 1.00 0.00 H new ATOM 514 N PRO A 37 -10.007 -2.044 -3.493 1.00 0.00 N ATOM 515 CA PRO A 37 -10.660 -1.989 -2.180 1.00 0.00 C ATOM 516 C PRO A 37 -9.660 -2.071 -1.032 1.00 0.00 C ATOM 517 O PRO A 37 -8.453 -1.945 -1.236 1.00 0.00 O ATOM 518 CB PRO A 37 -11.573 -3.218 -2.183 1.00 0.00 C ATOM 519 CG PRO A 37 -10.944 -4.157 -3.152 1.00 0.00 C ATOM 520 CD PRO A 37 -10.310 -3.297 -4.209 1.00 0.00 C ATOM 0 HA PRO A 37 -11.191 -1.049 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.642 -3.662 -1.190 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.587 -2.957 -2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.200 -4.784 -2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.687 -4.825 -3.587 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.408 -3.757 -4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.985 -3.127 -5.048 1.00 0.00 H new ATOM 528 N ARG A 38 -10.171 -2.284 0.177 1.00 0.00 N ATOM 529 CA ARG A 38 -9.322 -2.384 1.359 1.00 0.00 C ATOM 530 C ARG A 38 -10.105 -2.933 2.549 1.00 0.00 C ATOM 531 O ARG A 38 -11.224 -3.423 2.394 1.00 0.00 O ATOM 532 CB ARG A 38 -8.724 -1.015 1.704 1.00 0.00 C ATOM 533 CG ARG A 38 -9.717 -0.041 2.324 1.00 0.00 C ATOM 534 CD ARG A 38 -10.959 0.122 1.462 1.00 0.00 C ATOM 535 NE ARG A 38 -10.632 0.524 0.095 1.00 0.00 N ATOM 536 CZ ARG A 38 -11.521 1.016 -0.765 1.00 0.00 C ATOM 537 NH1 ARG A 38 -12.789 1.168 -0.406 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -11.140 1.357 -1.988 1.00 0.00 N ATOM 0 H ARG A 38 -11.168 -2.391 0.364 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.511 -3.077 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.892 -1.157 2.394 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.314 -0.571 0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.005 -0.396 3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.239 0.929 2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.511 -0.818 1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.616 0.867 1.911 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.667 0.422 -0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.088 0.907 0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.465 1.546 -1.070 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.166 1.242 -2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.821 1.734 -2.648 1.00 0.00 H new ATOM 552 N GLU A 39 -9.509 -2.850 3.734 1.00 0.00 N ATOM 553 CA GLU A 39 -10.152 -3.339 4.948 1.00 0.00 C ATOM 554 C GLU A 39 -9.889 -2.401 6.121 1.00 0.00 C ATOM 555 O GLU A 39 -9.296 -1.334 5.956 1.00 0.00 O ATOM 556 CB GLU A 39 -9.651 -4.745 5.283 1.00 0.00 C ATOM 557 CG GLU A 39 -8.167 -4.802 5.606 1.00 0.00 C ATOM 558 CD GLU A 39 -7.778 -6.072 6.337 1.00 0.00 C ATOM 559 OE1 GLU A 39 -8.507 -7.078 6.210 1.00 0.00 O1- ATOM 560 OE2 GLU A 39 -6.744 -6.060 7.038 1.00 0.00 O ATOM 0 H GLU A 39 -8.582 -2.449 3.879 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.227 -3.375 4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.214 -5.129 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.856 -5.405 4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.595 -4.730 4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.898 -3.939 6.216 1.00 0.00 H new ATOM 567 N HIS A 40 -10.335 -2.805 7.307 1.00 0.00 N ATOM 568 CA HIS A 40 -10.149 -2.002 8.510 1.00 0.00 C ATOM 569 C HIS A 40 -9.170 -2.677 9.470 1.00 0.00 C ATOM 570 O HIS A 40 -9.550 -3.569 10.227 1.00 0.00 O ATOM 571 CB HIS A 40 -11.491 -1.778 9.209 1.00 0.00 C ATOM 572 CG HIS A 40 -12.531 -1.162 8.325 1.00 0.00 C ATOM 573 ND1 HIS A 40 -13.131 0.049 8.599 1.00 0.00 N ATOM 574 CD2 HIS A 40 -13.077 -1.596 7.164 1.00 0.00 C ATOM 575 CE1 HIS A 40 -14.002 0.332 7.647 1.00 0.00 C ATOM 576 NE2 HIS A 40 -13.987 -0.649 6.764 1.00 0.00 N ATOM 0 H HIS A 40 -10.828 -3.685 7.460 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.734 -1.039 8.214 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.862 -2.733 9.581 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.337 -1.136 10.077 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.841 -2.515 6.649 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.621 1.216 7.599 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -14.559 -0.696 5.921 1.00 0.00 H new ATOM 585 N PRO A 41 -7.891 -2.260 9.452 1.00 0.00 N ATOM 586 CA PRO A 41 -6.863 -2.835 10.327 1.00 0.00 C ATOM 587 C PRO A 41 -7.088 -2.485 11.794 1.00 0.00 C ATOM 588 O PRO A 41 -7.986 -1.711 12.128 1.00 0.00 O ATOM 589 CB PRO A 41 -5.565 -2.204 9.819 1.00 0.00 C ATOM 590 CG PRO A 41 -5.988 -0.933 9.169 1.00 0.00 C ATOM 591 CD PRO A 41 -7.345 -1.202 8.581 1.00 0.00 C ATOM 0 HA PRO A 41 -6.863 -3.924 10.291 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.869 -2.017 10.637 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.057 -2.860 9.112 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.031 -0.119 9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.280 -0.635 8.396 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.971 -0.310 8.591 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.276 -1.531 7.544 1.00 0.00 H new ATOM 599 N ILE A 42 -6.267 -3.061 12.666 1.00 0.00 N ATOM 600 CA ILE A 42 -6.375 -2.812 14.099 1.00 0.00 C ATOM 601 C ILE A 42 -5.195 -1.984 14.602 1.00 0.00 C ATOM 602 O ILE A 42 -4.124 -1.981 13.996 1.00 0.00 O ATOM 603 CB ILE A 42 -6.448 -4.134 14.892 1.00 0.00 C ATOM 604 CG1 ILE A 42 -6.712 -3.858 16.374 1.00 0.00 C ATOM 605 CG2 ILE A 42 -5.165 -4.933 14.717 1.00 0.00 C ATOM 606 CD1 ILE A 42 -8.004 -3.112 16.631 1.00 0.00 C ATOM 0 H ILE A 42 -5.519 -3.704 12.405 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.297 -2.253 14.260 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.276 -4.724 14.500 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.736 -4.805 16.913 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.882 -3.281 16.781 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.235 -5.862 15.283 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.020 -5.162 13.661 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.320 -4.349 15.081 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.125 -2.952 17.702 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.976 -2.149 16.121 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.843 -3.697 16.255 1.00 0.00 H new ATOM 618 N MET A 43 -5.400 -1.281 15.712 1.00 0.00 N ATOM 619 CA MET A 43 -4.353 -0.447 16.296 1.00 0.00 C ATOM 620 C MET A 43 -3.079 -1.253 16.536 1.00 0.00 C ATOM 621 O MET A 43 -3.135 -2.439 16.861 1.00 0.00 O ATOM 622 CB MET A 43 -4.836 0.166 17.612 1.00 0.00 C ATOM 623 CG MET A 43 -5.422 -0.850 18.579 1.00 0.00 C ATOM 624 SD MET A 43 -6.852 -0.215 19.474 1.00 0.00 S ATOM 625 CE MET A 43 -7.874 -1.683 19.566 1.00 0.00 C ATOM 0 H MET A 43 -6.281 -1.272 16.225 1.00 0.00 H new ATOM 0 HA MET A 43 -4.127 0.352 15.590 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.001 0.674 18.094 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.588 0.924 17.395 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.712 -1.745 18.028 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.655 -1.150 19.293 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.622 -1.656 18.773 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.250 -2.569 19.446 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.373 -1.719 20.534 1.00 0.00 H new ATOM 635 N GLY A 44 -1.933 -0.599 16.374 1.00 0.00 N ATOM 636 CA GLY A 44 -0.662 -1.270 16.577 1.00 0.00 C ATOM 637 C GLY A 44 0.480 -0.295 16.794 1.00 0.00 C ATOM 638 O GLY A 44 0.293 0.769 17.384 1.00 0.00 O ATOM 0 H GLY A 44 -1.862 0.383 16.106 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.738 -1.933 17.439 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.442 -1.895 15.712 1.00 0.00 H new ATOM 642 N GLY A 45 1.666 -0.660 16.316 1.00 0.00 N ATOM 643 CA GLY A 45 2.824 0.201 16.471 1.00 0.00 C ATOM 644 C GLY A 45 3.651 0.294 15.204 1.00 0.00 C ATOM 645 O GLY A 45 3.107 0.344 14.101 1.00 0.00 O ATOM 0 H GLY A 45 1.845 -1.536 15.825 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.495 1.199 16.760 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.448 -0.176 17.281 1.00 0.00 H new ATOM 649 N ILE A 46 4.971 0.320 15.360 1.00 0.00 N ATOM 650 CA ILE A 46 5.874 0.408 14.219 1.00 0.00 C ATOM 651 C ILE A 46 6.592 -0.916 13.982 1.00 0.00 C ATOM 652 O ILE A 46 7.729 -0.942 13.512 1.00 0.00 O ATOM 653 CB ILE A 46 6.923 1.520 14.413 1.00 0.00 C ATOM 654 CG1 ILE A 46 6.258 2.801 14.922 1.00 0.00 C ATOM 655 CG2 ILE A 46 7.663 1.783 13.110 1.00 0.00 C ATOM 656 CD1 ILE A 46 5.143 3.300 14.029 1.00 0.00 C ATOM 0 H ILE A 46 5.439 0.281 16.266 1.00 0.00 H new ATOM 0 HA ILE A 46 5.260 0.647 13.350 1.00 0.00 H new ATOM 0 HB ILE A 46 7.645 1.189 15.159 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.860 2.622 15.921 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.014 3.581 15.015 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.401 2.571 13.263 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.167 0.872 12.787 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.952 2.095 12.345 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.718 4.210 14.452 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.539 3.512 13.036 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.367 2.538 13.955 1.00 0.00 H new ATOM 668 N TYR A 47 5.920 -2.014 14.311 1.00 0.00 N ATOM 669 CA TYR A 47 6.493 -3.344 14.134 1.00 0.00 C ATOM 670 C TYR A 47 5.489 -4.424 14.522 1.00 0.00 C ATOM 671 O TYR A 47 5.148 -4.577 15.695 1.00 0.00 O ATOM 672 CB TYR A 47 7.765 -3.489 14.972 1.00 0.00 C ATOM 673 CG TYR A 47 8.825 -4.349 14.320 1.00 0.00 C ATOM 674 CD1 TYR A 47 9.653 -3.834 13.331 1.00 0.00 C ATOM 675 CD2 TYR A 47 8.996 -5.676 14.694 1.00 0.00 C ATOM 676 CE1 TYR A 47 10.623 -4.616 12.733 1.00 0.00 C ATOM 677 CE2 TYR A 47 9.963 -6.465 14.101 1.00 0.00 C ATOM 678 CZ TYR A 47 10.773 -5.931 13.121 1.00 0.00 C ATOM 679 OH TYR A 47 11.738 -6.713 12.528 1.00 0.00 O ATOM 0 H TYR A 47 4.978 -2.010 14.702 1.00 0.00 H new ATOM 0 HA TYR A 47 6.744 -3.468 13.081 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.179 -2.499 15.163 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.506 -3.918 15.940 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.537 -2.805 13.024 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.363 -6.098 15.461 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.260 -4.200 11.966 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.084 -7.495 14.403 1.00 0.00 H new ATOM 0 HH TYR A 47 11.713 -7.613 12.915 1.00 0.00 H new ATOM 689 N ASP A 48 5.017 -5.171 13.529 1.00 0.00 N ATOM 690 CA ASP A 48 4.050 -6.236 13.767 1.00 0.00 C ATOM 691 C ASP A 48 3.742 -6.991 12.477 1.00 0.00 C ATOM 692 O ASP A 48 4.450 -6.851 11.480 1.00 0.00 O ATOM 693 CB ASP A 48 2.761 -5.659 14.357 1.00 0.00 C ATOM 694 CG ASP A 48 2.181 -6.537 15.448 1.00 0.00 C ATOM 695 OD1 ASP A 48 2.332 -7.774 15.358 1.00 0.00 O ATOM 696 OD2 ASP A 48 1.575 -5.988 16.393 1.00 0.00 O1- ATOM 0 H ASP A 48 5.289 -5.058 12.552 1.00 0.00 H new ATOM 0 HA ASP A 48 4.485 -6.937 14.479 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.962 -4.667 14.761 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.024 -5.536 13.563 1.00 0.00 H new ATOM 701 N ALA A 49 2.679 -7.789 12.504 1.00 0.00 N ATOM 702 CA ALA A 49 2.274 -8.565 11.338 1.00 0.00 C ATOM 703 C ALA A 49 0.756 -8.550 11.174 1.00 0.00 C ATOM 704 O ALA A 49 0.101 -9.588 11.276 1.00 0.00 O ATOM 705 CB ALA A 49 2.785 -9.994 11.452 1.00 0.00 C ATOM 0 H ALA A 49 2.082 -7.915 13.322 1.00 0.00 H new ATOM 0 HA ALA A 49 2.714 -8.107 10.452 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.475 -10.562 10.575 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.873 -9.987 11.515 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.373 -10.457 12.348 1.00 0.00 H new ATOM 711 N PRO A 50 0.174 -7.366 10.919 1.00 0.00 N ATOM 712 CA PRO A 50 -1.275 -7.216 10.743 1.00 0.00 C ATOM 713 C PRO A 50 -1.804 -8.022 9.561 1.00 0.00 C ATOM 714 O PRO A 50 -2.999 -8.306 9.479 1.00 0.00 O ATOM 715 CB PRO A 50 -1.460 -5.714 10.489 1.00 0.00 C ATOM 716 CG PRO A 50 -0.215 -5.077 11.004 1.00 0.00 C ATOM 717 CD PRO A 50 0.878 -6.080 10.784 1.00 0.00 C ATOM 0 HA PRO A 50 -1.824 -7.584 11.610 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.598 -5.508 9.428 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.341 -5.332 11.005 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.004 -4.147 10.476 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.311 -4.829 12.061 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.335 -5.971 9.801 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.676 -5.977 11.520 1.00 0.00 H new ATOM 725 N LEU A 51 -0.910 -8.386 8.646 1.00 0.00 N ATOM 726 CA LEU A 51 -1.291 -9.158 7.469 1.00 0.00 C ATOM 727 C LEU A 51 -1.928 -10.485 7.869 1.00 0.00 C ATOM 728 O LEU A 51 -1.248 -11.507 7.968 1.00 0.00 O ATOM 729 CB LEU A 51 -0.070 -9.410 6.582 1.00 0.00 C ATOM 730 CG LEU A 51 -0.333 -9.327 5.077 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.503 -10.218 4.687 1.00 0.00 C ATOM 732 CD2 LEU A 51 -0.594 -7.887 4.661 1.00 0.00 C ATOM 0 H LEU A 51 0.083 -8.158 8.698 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.025 -8.580 6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.703 -8.686 6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.329 -10.398 6.812 1.00 0.00 H new ATOM 0 HG LEU A 51 0.555 -9.681 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.674 -10.145 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.276 -11.252 4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.398 -9.897 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.779 -7.846 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.465 -7.506 5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.275 -7.275 4.903 1.00 0.00 H new ATOM 744 N ASN A 52 -3.238 -10.463 8.095 1.00 0.00 N ATOM 745 CA ASN A 52 -3.967 -11.665 8.482 1.00 0.00 C ATOM 746 C ASN A 52 -4.564 -12.352 7.259 1.00 0.00 C ATOM 747 O ASN A 52 -4.613 -13.580 7.186 1.00 0.00 O ATOM 748 CB ASN A 52 -5.075 -11.316 9.478 1.00 0.00 C ATOM 749 CG ASN A 52 -5.280 -12.401 10.517 1.00 0.00 C ATOM 750 OD1 ASN A 52 -4.939 -12.228 11.687 1.00 0.00 O ATOM 751 ND2 ASN A 52 -5.841 -13.528 10.093 1.00 0.00 N ATOM 0 H ASN A 52 -3.816 -9.626 8.017 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.265 -12.351 8.957 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.829 -10.379 9.978 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.008 -11.153 8.938 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.005 -14.294 10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.108 -13.628 9.114 1.00 0.00 H new ATOM 758 N ASN A 53 -5.015 -11.551 6.300 1.00 0.00 N ATOM 759 CA ASN A 53 -5.607 -12.081 5.077 1.00 0.00 C ATOM 760 C ASN A 53 -4.562 -12.190 3.973 1.00 0.00 C ATOM 761 O ASN A 53 -4.496 -11.345 3.080 1.00 0.00 O ATOM 762 CB ASN A 53 -6.763 -11.190 4.618 1.00 0.00 C ATOM 763 CG ASN A 53 -8.107 -11.686 5.115 1.00 0.00 C ATOM 764 OD1 ASN A 53 -9.009 -11.964 4.325 1.00 0.00 O ATOM 765 ND2 ASN A 53 -8.247 -11.798 6.430 1.00 0.00 N ATOM 0 H ASN A 53 -4.982 -10.533 6.346 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.991 -13.079 5.289 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.599 -10.173 4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.775 -11.147 3.529 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.129 -12.126 6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.472 -11.556 7.048 1.00 0.00 H new ATOM 772 N GLU A 54 -3.745 -13.236 4.041 1.00 0.00 N ATOM 773 CA GLU A 54 -2.700 -13.457 3.047 1.00 0.00 C ATOM 774 C GLU A 54 -3.193 -14.353 1.912 1.00 0.00 C ATOM 775 O GLU A 54 -2.393 -14.906 1.157 1.00 0.00 O ATOM 776 CB GLU A 54 -1.468 -14.082 3.705 1.00 0.00 C ATOM 777 CG GLU A 54 -1.767 -15.370 4.456 1.00 0.00 C ATOM 778 CD GLU A 54 -1.850 -15.163 5.956 1.00 0.00 C ATOM 779 OE1 GLU A 54 -2.150 -14.029 6.384 1.00 0.00 O ATOM 780 OE2 GLU A 54 -1.615 -16.137 6.703 1.00 0.00 O1- ATOM 0 H GLU A 54 -3.786 -13.944 4.774 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.432 -12.489 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.720 -14.283 2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.030 -13.361 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.709 -15.785 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.991 -16.103 4.236 1.00 0.00 H new ATOM 787 N ASN A 55 -4.511 -14.495 1.794 1.00 0.00 N ATOM 788 CA ASN A 55 -5.098 -15.325 0.748 1.00 0.00 C ATOM 789 C ASN A 55 -4.671 -14.840 -0.633 1.00 0.00 C ATOM 790 O ASN A 55 -4.549 -15.631 -1.569 1.00 0.00 O ATOM 791 CB ASN A 55 -6.624 -15.315 0.856 1.00 0.00 C ATOM 792 CG ASN A 55 -7.105 -15.590 2.267 1.00 0.00 C ATOM 793 OD1 ASN A 55 -7.224 -16.743 2.682 1.00 0.00 O ATOM 794 ND2 ASN A 55 -7.386 -14.529 3.014 1.00 0.00 N ATOM 0 H ASN A 55 -5.190 -14.047 2.409 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.738 -16.345 0.883 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.002 -14.347 0.528 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.038 -16.064 0.181 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.715 -14.652 3.972 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.273 -13.591 2.630 1.00 0.00 H new ATOM 801 N GLY A 56 -4.443 -13.536 -0.753 1.00 0.00 N ATOM 802 CA GLY A 56 -4.030 -12.969 -2.023 1.00 0.00 C ATOM 803 C GLY A 56 -4.851 -11.756 -2.415 1.00 0.00 C ATOM 804 O GLY A 56 -4.300 -10.703 -2.736 1.00 0.00 O ATOM 0 H GLY A 56 -4.537 -12.862 0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.978 -12.688 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.116 -13.728 -2.801 1.00 0.00 H new ATOM 808 N PHE A 57 -6.171 -11.904 -2.391 1.00 0.00 N ATOM 809 CA PHE A 57 -7.070 -10.812 -2.749 1.00 0.00 C ATOM 810 C PHE A 57 -6.854 -9.604 -1.841 1.00 0.00 C ATOM 811 O PHE A 57 -6.790 -8.467 -2.309 1.00 0.00 O ATOM 812 CB PHE A 57 -8.526 -11.273 -2.663 1.00 0.00 C ATOM 813 CG PHE A 57 -8.773 -12.605 -3.313 1.00 0.00 C ATOM 814 CD1 PHE A 57 -8.977 -12.695 -4.681 1.00 0.00 C ATOM 815 CD2 PHE A 57 -8.801 -13.765 -2.557 1.00 0.00 C ATOM 816 CE1 PHE A 57 -9.205 -13.919 -5.282 1.00 0.00 C ATOM 817 CE2 PHE A 57 -9.029 -14.991 -3.152 1.00 0.00 C ATOM 818 CZ PHE A 57 -9.231 -15.068 -4.516 1.00 0.00 C ATOM 0 H PHE A 57 -6.643 -12.769 -2.127 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.848 -10.516 -3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.820 -11.329 -1.615 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.164 -10.525 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.958 -11.799 -5.284 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.643 -13.711 -1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.363 -13.977 -6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.049 -15.888 -2.551 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.409 -16.025 -4.983 1.00 0.00 H new ATOM 828 N ASP A 58 -6.745 -9.858 -0.542 1.00 0.00 N ATOM 829 CA ASP A 58 -6.540 -8.791 0.432 1.00 0.00 C ATOM 830 C ASP A 58 -5.151 -8.177 0.289 1.00 0.00 C ATOM 831 O ASP A 58 -5.011 -6.965 0.127 1.00 0.00 O ATOM 832 CB ASP A 58 -6.730 -9.326 1.852 1.00 0.00 C ATOM 833 CG ASP A 58 -7.193 -8.252 2.817 1.00 0.00 C ATOM 834 OD1 ASP A 58 -8.406 -7.954 2.836 1.00 0.00 O1- ATOM 835 OD2 ASP A 58 -6.343 -7.708 3.552 1.00 0.00 O ATOM 0 H ASP A 58 -6.795 -10.793 -0.138 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.280 -8.014 0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.459 -10.136 1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.790 -9.749 2.207 1.00 0.00 H new ATOM 840 N LYS A 59 -4.125 -9.021 0.354 1.00 0.00 N ATOM 841 CA LYS A 59 -2.746 -8.559 0.236 1.00 0.00 C ATOM 842 C LYS A 59 -2.530 -7.804 -1.074 1.00 0.00 C ATOM 843 O LYS A 59 -1.920 -6.735 -1.093 1.00 0.00 O ATOM 844 CB LYS A 59 -1.779 -9.745 0.331 1.00 0.00 C ATOM 845 CG LYS A 59 -1.680 -10.562 -0.947 1.00 0.00 C ATOM 846 CD LYS A 59 -0.782 -11.776 -0.765 1.00 0.00 C ATOM 847 CE LYS A 59 0.683 -11.419 -0.958 1.00 0.00 C ATOM 848 NZ LYS A 59 1.562 -12.139 0.005 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.223 -10.027 0.488 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.547 -7.873 1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.788 -9.373 0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.098 -10.397 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.675 -10.887 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.290 -9.937 -1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.928 -12.192 0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.066 -12.550 -1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.985 -11.662 -1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.814 -10.344 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.553 -11.868 -0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.291 -11.887 0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.457 -13.165 -0.129 1.00 0.00 H new ATOM 862 N GLU A 60 -3.033 -8.370 -2.167 1.00 0.00 N ATOM 863 CA GLU A 60 -2.894 -7.752 -3.480 1.00 0.00 C ATOM 864 C GLU A 60 -3.683 -6.450 -3.557 1.00 0.00 C ATOM 865 O GLU A 60 -3.214 -5.461 -4.121 1.00 0.00 O ATOM 866 CB GLU A 60 -3.365 -8.713 -4.573 1.00 0.00 C ATOM 867 CG GLU A 60 -2.423 -9.885 -4.801 1.00 0.00 C ATOM 868 CD GLU A 60 -2.011 -10.030 -6.253 1.00 0.00 C ATOM 869 OE1 GLU A 60 -2.751 -9.539 -7.132 1.00 0.00 O ATOM 870 OE2 GLU A 60 -0.949 -10.634 -6.512 1.00 0.00 O1- ATOM 0 H GLU A 60 -3.540 -9.255 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.839 -7.525 -3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.351 -9.096 -4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.478 -8.161 -5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.532 -9.755 -4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.907 -10.804 -4.471 1.00 0.00 H new ATOM 877 N ASP A 61 -4.883 -6.455 -2.986 1.00 0.00 N ATOM 878 CA ASP A 61 -5.736 -5.272 -2.991 1.00 0.00 C ATOM 879 C ASP A 61 -5.032 -4.091 -2.331 1.00 0.00 C ATOM 880 O ASP A 61 -4.979 -2.995 -2.890 1.00 0.00 O ATOM 881 CB ASP A 61 -7.053 -5.564 -2.270 1.00 0.00 C ATOM 882 CG ASP A 61 -8.135 -6.049 -3.214 1.00 0.00 C ATOM 883 OD1 ASP A 61 -8.034 -5.769 -4.427 1.00 0.00 O ATOM 884 OD2 ASP A 61 -9.083 -6.710 -2.741 1.00 0.00 O1- ATOM 0 H ASP A 61 -5.287 -7.264 -2.514 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.948 -5.012 -4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.883 -6.316 -1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.395 -4.661 -1.764 1.00 0.00 H new ATOM 889 N LEU A 62 -4.493 -4.322 -1.139 1.00 0.00 N ATOM 890 CA LEU A 62 -3.791 -3.279 -0.402 1.00 0.00 C ATOM 891 C LEU A 62 -2.529 -2.843 -1.142 1.00 0.00 C ATOM 892 O LEU A 62 -2.317 -1.654 -1.379 1.00 0.00 O ATOM 893 CB LEU A 62 -3.436 -3.770 1.005 1.00 0.00 C ATOM 894 CG LEU A 62 -2.507 -2.855 1.811 1.00 0.00 C ATOM 895 CD1 LEU A 62 -2.866 -1.391 1.595 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.571 -3.207 3.289 1.00 0.00 C ATOM 0 H LEU A 62 -4.529 -5.223 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.453 -2.417 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.360 -3.906 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.967 -4.750 0.921 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.487 -3.009 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.193 -0.762 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.769 -1.145 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.893 -1.217 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.906 -2.549 3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.592 -3.082 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.260 -4.242 3.430 1.00 0.00 H new ATOM 908 N ALA A 63 -1.694 -3.813 -1.505 1.00 0.00 N ATOM 909 CA ALA A 63 -0.454 -3.526 -2.219 1.00 0.00 C ATOM 910 C ALA A 63 -0.725 -2.728 -3.490 1.00 0.00 C ATOM 911 O ALA A 63 -0.151 -1.659 -3.698 1.00 0.00 O ATOM 912 CB ALA A 63 0.278 -4.818 -2.551 1.00 0.00 C ATOM 0 H ALA A 63 -1.853 -4.803 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 63 0.178 -2.922 -1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.201 -4.587 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.514 -5.350 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.356 -5.444 -3.179 1.00 0.00 H new ATOM 918 N ARG A 64 -1.605 -3.253 -4.336 1.00 0.00 N ATOM 919 CA ARG A 64 -1.954 -2.587 -5.585 1.00 0.00 C ATOM 920 C ARG A 64 -2.582 -1.224 -5.314 1.00 0.00 C ATOM 921 O ARG A 64 -2.378 -0.273 -6.069 1.00 0.00 O ATOM 922 CB ARG A 64 -2.918 -3.454 -6.398 1.00 0.00 C ATOM 923 CG ARG A 64 -2.699 -3.364 -7.899 1.00 0.00 C ATOM 924 CD ARG A 64 -2.907 -1.947 -8.409 1.00 0.00 C ATOM 925 NE ARG A 64 -3.167 -1.915 -9.846 1.00 0.00 N ATOM 926 CZ ARG A 64 -4.270 -2.403 -10.411 1.00 0.00 C ATOM 927 NH1 ARG A 64 -5.215 -2.960 -9.665 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -4.427 -2.333 -11.726 1.00 0.00 N ATOM 0 H ARG A 64 -2.089 -4.137 -4.179 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.039 -2.439 -6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.811 -4.493 -6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.941 -3.156 -6.170 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.689 -3.694 -8.141 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.386 -4.040 -8.409 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.743 -1.490 -7.879 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.023 -1.349 -8.187 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.463 -1.494 -10.452 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.099 -3.016 -8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.058 -3.332 -10.103 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.703 -1.906 -12.304 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.271 -2.707 -12.159 1.00 0.00 H new ATOM 942 N PHE A 65 -3.345 -1.137 -4.229 1.00 0.00 N ATOM 943 CA PHE A 65 -4.003 0.109 -3.854 1.00 0.00 C ATOM 944 C PHE A 65 -2.978 1.214 -3.617 1.00 0.00 C ATOM 945 O PHE A 65 -3.001 2.247 -4.284 1.00 0.00 O ATOM 946 CB PHE A 65 -4.851 -0.099 -2.597 1.00 0.00 C ATOM 947 CG PHE A 65 -5.546 1.148 -2.125 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.466 1.793 -2.935 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.276 1.673 -0.871 1.00 0.00 C ATOM 950 CE1 PHE A 65 -7.106 2.939 -2.503 1.00 0.00 C ATOM 951 CE2 PHE A 65 -5.913 2.819 -0.434 1.00 0.00 C ATOM 952 CZ PHE A 65 -6.829 3.453 -1.251 1.00 0.00 C ATOM 0 H PHE A 65 -3.523 -1.915 -3.594 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.652 0.413 -4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.598 -0.868 -2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.213 -0.474 -1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.686 1.396 -3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.560 1.181 -0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.822 3.432 -3.144 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.695 3.219 0.545 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.328 4.349 -0.912 1.00 0.00 H new ATOM 962 N ALA A 66 -2.082 0.988 -2.662 1.00 0.00 N ATOM 963 CA ALA A 66 -1.049 1.966 -2.337 1.00 0.00 C ATOM 964 C ALA A 66 -0.163 2.252 -3.545 1.00 0.00 C ATOM 965 O ALA A 66 0.008 3.406 -3.945 1.00 0.00 O ATOM 966 CB ALA A 66 -0.208 1.475 -1.168 1.00 0.00 C ATOM 0 H ALA A 66 -2.050 0.137 -2.100 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.541 2.896 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.559 2.214 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.846 1.328 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.267 0.530 -1.433 1.00 0.00 H new ATOM 972 N VAL A 67 0.398 1.194 -4.124 1.00 0.00 N ATOM 973 CA VAL A 67 1.267 1.329 -5.288 1.00 0.00 C ATOM 974 C VAL A 67 0.598 2.161 -6.378 1.00 0.00 C ATOM 975 O VAL A 67 1.158 3.149 -6.850 1.00 0.00 O ATOM 976 CB VAL A 67 1.649 -0.047 -5.870 1.00 0.00 C ATOM 977 CG1 VAL A 67 2.610 0.112 -7.039 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.254 -0.935 -4.792 1.00 0.00 C ATOM 0 H VAL A 67 0.266 0.234 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 67 2.172 1.835 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 67 0.742 -0.527 -6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.867 -0.870 -7.435 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.137 0.706 -7.821 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.516 0.615 -6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.517 -1.901 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.149 -0.461 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.529 -1.080 -3.991 1.00 0.00 H new ATOM 988 N ARG A 68 -0.605 1.755 -6.770 1.00 0.00 N ATOM 989 CA ARG A 68 -1.351 2.464 -7.801 1.00 0.00 C ATOM 990 C ARG A 68 -1.729 3.865 -7.331 1.00 0.00 C ATOM 991 O ARG A 68 -1.815 4.797 -8.130 1.00 0.00 O ATOM 992 CB ARG A 68 -2.611 1.678 -8.176 1.00 0.00 C ATOM 993 CG ARG A 68 -3.489 2.380 -9.199 1.00 0.00 C ATOM 994 CD ARG A 68 -4.360 1.392 -9.956 1.00 0.00 C ATOM 995 NE ARG A 68 -3.778 1.022 -11.244 1.00 0.00 N ATOM 996 CZ ARG A 68 -4.469 0.470 -12.239 1.00 0.00 C ATOM 997 NH1 ARG A 68 -5.765 0.222 -12.099 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -3.862 0.166 -13.378 1.00 0.00 N ATOM 0 H ARG A 68 -1.083 0.939 -6.389 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.714 2.557 -8.681 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.317 0.705 -8.570 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.195 1.494 -7.274 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.120 3.113 -8.697 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.863 2.928 -9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.501 0.496 -9.351 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.347 1.827 -10.116 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.784 1.197 -11.389 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.237 0.454 -11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.289 -0.201 -12.865 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.866 0.355 -13.491 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.391 -0.257 -14.141 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.952 4.007 -6.028 1.00 0.00 N ATOM 1013 CA GLU A 69 -2.320 5.295 -5.451 1.00 0.00 C ATOM 1014 C GLU A 69 -1.222 6.328 -5.682 1.00 0.00 C ATOM 1015 O GLU A 69 -1.499 7.476 -6.026 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.592 5.148 -3.953 1.00 0.00 C ATOM 1017 CG GLU A 69 -3.056 6.435 -3.291 1.00 0.00 C ATOM 1018 CD GLU A 69 -4.262 7.044 -3.981 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -5.287 6.343 -4.113 1.00 0.00 O1- ATOM 1020 OE2 GLU A 69 -4.180 8.222 -4.389 1.00 0.00 O ATOM 0 H GLU A 69 -1.884 3.246 -5.352 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.228 5.640 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.349 4.378 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.684 4.802 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.301 6.235 -2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.238 7.156 -3.293 1.00 0.00 H new ATOM 1027 N TYR A 70 0.024 5.912 -5.488 1.00 0.00 N ATOM 1028 CA TYR A 70 1.163 6.806 -5.675 1.00 0.00 C ATOM 1029 C TYR A 70 1.714 6.709 -7.100 1.00 0.00 C ATOM 1030 O TYR A 70 2.475 7.568 -7.539 1.00 0.00 O ATOM 1031 CB TYR A 70 2.259 6.483 -4.650 1.00 0.00 C ATOM 1032 CG TYR A 70 3.369 5.597 -5.179 1.00 0.00 C ATOM 1033 CD1 TYR A 70 3.194 4.225 -5.291 1.00 0.00 C ATOM 1034 CD2 TYR A 70 4.590 6.137 -5.565 1.00 0.00 C ATOM 1035 CE1 TYR A 70 4.203 3.413 -5.774 1.00 0.00 C ATOM 1036 CE2 TYR A 70 5.604 5.333 -6.049 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.406 3.972 -6.152 1.00 0.00 C ATOM 1038 OH TYR A 70 6.413 3.168 -6.634 1.00 0.00 O ATOM 0 H TYR A 70 0.272 4.965 -5.202 1.00 0.00 H new ATOM 0 HA TYR A 70 0.824 7.830 -5.519 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.694 7.417 -4.295 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.802 5.997 -3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.253 3.784 -4.996 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.749 7.202 -5.485 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.050 2.347 -5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.547 5.768 -6.345 1.00 0.00 H new ATOM 0 HH TYR A 70 6.612 2.466 -5.980 1.00 0.00 H new ATOM 1048 N ASN A 71 1.332 5.655 -7.812 1.00 0.00 N ATOM 1049 CA ASN A 71 1.798 5.449 -9.180 1.00 0.00 C ATOM 1050 C ASN A 71 0.875 6.125 -10.193 1.00 0.00 C ATOM 1051 O ASN A 71 1.265 6.357 -11.337 1.00 0.00 O ATOM 1052 CB ASN A 71 1.898 3.954 -9.486 1.00 0.00 C ATOM 1053 CG ASN A 71 2.673 3.676 -10.758 1.00 0.00 C ATOM 1054 OD1 ASN A 71 2.101 3.283 -11.775 1.00 0.00 O ATOM 1055 ND2 ASN A 71 3.984 3.880 -10.708 1.00 0.00 N ATOM 0 H ASN A 71 0.702 4.931 -7.467 1.00 0.00 H new ATOM 0 HA ASN A 71 2.785 5.903 -9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.381 3.446 -8.651 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.895 3.536 -9.576 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.558 3.710 -11.534 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.417 4.206 -9.844 1.00 0.00 H new ATOM 1062 N ASN A 72 -0.349 6.434 -9.774 1.00 0.00 N ATOM 1063 CA ASN A 72 -1.315 7.076 -10.659 1.00 0.00 C ATOM 1064 C ASN A 72 -1.167 8.595 -10.633 1.00 0.00 C ATOM 1065 O ASN A 72 -1.377 9.265 -11.645 1.00 0.00 O ATOM 1066 CB ASN A 72 -2.743 6.674 -10.268 1.00 0.00 C ATOM 1067 CG ASN A 72 -3.310 7.517 -9.140 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -3.185 7.027 -7.914 1.00 0.00 O flip ATOM 1069 ND2 ASN A 72 -3.853 8.598 -9.371 1.00 0.00 N flip ATOM 0 H ASN A 72 -0.694 6.251 -8.832 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.116 6.737 -11.676 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.391 6.762 -11.140 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.750 5.626 -9.970 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.927 8.937 -10.330 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.228 9.155 -8.603 1.00 0.00 H new ATOM 1076 N LYS A 73 -0.817 9.134 -9.468 1.00 0.00 N ATOM 1077 CA LYS A 73 -0.653 10.580 -9.308 1.00 0.00 C ATOM 1078 C LYS A 73 0.137 11.186 -10.469 1.00 0.00 C ATOM 1079 O LYS A 73 -0.446 11.694 -11.427 1.00 0.00 O ATOM 1080 CB LYS A 73 0.029 10.914 -7.976 1.00 0.00 C ATOM 1081 CG LYS A 73 1.016 9.864 -7.504 1.00 0.00 C ATOM 1082 CD LYS A 73 2.158 10.489 -6.714 1.00 0.00 C ATOM 1083 CE LYS A 73 3.514 10.070 -7.260 1.00 0.00 C ATOM 1084 NZ LYS A 73 4.552 11.111 -7.024 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.641 8.594 -8.621 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.651 11.019 -9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.549 11.867 -8.075 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.737 11.047 -7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.501 9.131 -6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.417 9.327 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.072 11.575 -6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.080 10.195 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.822 9.136 -6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.431 9.876 -8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.482 10.657 -6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.575 11.767 -7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.325 11.637 -6.156 1.00 0.00 H new ATOM 1098 N ASN A 74 1.462 11.133 -10.378 1.00 0.00 N ATOM 1099 CA ASN A 74 2.322 11.680 -11.420 1.00 0.00 C ATOM 1100 C ASN A 74 3.625 10.890 -11.535 1.00 0.00 C ATOM 1101 O ASN A 74 4.586 11.355 -12.148 1.00 0.00 O ATOM 1102 CB ASN A 74 2.633 13.145 -11.117 1.00 0.00 C ATOM 1103 CG ASN A 74 3.165 13.340 -9.709 1.00 0.00 C ATOM 1104 OD1 ASN A 74 4.376 12.853 -9.460 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 2.495 13.921 -8.856 1.00 0.00 N flip ATOM 0 H ASN A 74 1.963 10.717 -9.593 1.00 0.00 H new ATOM 0 HA ASN A 74 1.793 11.605 -12.370 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.365 13.515 -11.835 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.730 13.741 -11.248 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.569 14.279 -9.091 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.865 14.045 -7.914 1.00 0.00 H new ATOM 1112 N ASN A 75 3.660 9.701 -10.938 1.00 0.00 N ATOM 1113 CA ASN A 75 4.855 8.869 -10.975 1.00 0.00 C ATOM 1114 C ASN A 75 4.912 8.052 -12.264 1.00 0.00 C ATOM 1115 O ASN A 75 4.170 8.315 -13.210 1.00 0.00 O ATOM 1116 CB ASN A 75 4.889 7.935 -9.762 1.00 0.00 C ATOM 1117 CG ASN A 75 6.214 7.993 -9.026 1.00 0.00 C ATOM 1118 OD1 ASN A 75 6.531 8.986 -8.371 1.00 0.00 O ATOM 1119 ND2 ASN A 75 6.996 6.925 -9.132 1.00 0.00 N ATOM 0 H ASN A 75 2.877 9.295 -10.425 1.00 0.00 H new ATOM 0 HA ASN A 75 5.725 9.525 -10.945 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.084 8.203 -9.078 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.702 6.912 -10.089 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.900 6.906 -8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.693 6.124 -9.686 1.00 0.00 H new ATOM 1126 N ALA A 76 5.795 7.059 -12.290 1.00 0.00 N ATOM 1127 CA ALA A 76 5.947 6.200 -13.458 1.00 0.00 C ATOM 1128 C ALA A 76 4.830 5.162 -13.520 1.00 0.00 C ATOM 1129 O ALA A 76 3.802 5.306 -12.859 1.00 0.00 O ATOM 1130 CB ALA A 76 7.309 5.521 -13.436 1.00 0.00 C ATOM 0 H ALA A 76 6.417 6.829 -11.515 1.00 0.00 H new ATOM 0 HA ALA A 76 5.879 6.820 -14.352 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.411 4.882 -14.313 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.093 6.278 -13.445 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.399 4.916 -12.534 1.00 0.00 H new ATOM 1136 N LEU A 77 5.036 4.116 -14.315 1.00 0.00 N ATOM 1137 CA LEU A 77 4.042 3.058 -14.457 1.00 0.00 C ATOM 1138 C LEU A 77 4.655 1.690 -14.168 1.00 0.00 C ATOM 1139 O LEU A 77 5.143 1.013 -15.074 1.00 0.00 O ATOM 1140 CB LEU A 77 3.440 3.079 -15.865 1.00 0.00 C ATOM 1141 CG LEU A 77 1.912 3.135 -15.915 1.00 0.00 C ATOM 1142 CD1 LEU A 77 1.310 1.956 -15.166 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.409 4.449 -15.337 1.00 0.00 C ATOM 0 H LEU A 77 5.881 3.979 -14.870 1.00 0.00 H new ATOM 0 HA LEU A 77 3.250 3.238 -13.730 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.838 3.941 -16.401 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.774 2.190 -16.400 1.00 0.00 H new ATOM 0 HG LEU A 77 1.598 3.075 -16.957 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.222 2.013 -15.212 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.645 1.025 -15.624 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.631 1.984 -14.125 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.320 4.472 -15.380 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.733 4.538 -14.300 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.813 5.279 -15.916 1.00 0.00 H new ATOM 1155 N LEU A 78 4.625 1.289 -12.901 1.00 0.00 N ATOM 1156 CA LEU A 78 5.176 0.002 -12.491 1.00 0.00 C ATOM 1157 C LEU A 78 4.064 -0.950 -12.064 1.00 0.00 C ATOM 1158 O LEU A 78 2.883 -0.608 -12.129 1.00 0.00 O ATOM 1159 CB LEU A 78 6.171 0.191 -11.344 1.00 0.00 C ATOM 1160 CG LEU A 78 5.808 1.286 -10.339 1.00 0.00 C ATOM 1161 CD1 LEU A 78 4.520 0.935 -9.611 1.00 0.00 C ATOM 1162 CD2 LEU A 78 6.943 1.497 -9.349 1.00 0.00 C ATOM 0 H LEU A 78 4.225 1.837 -12.140 1.00 0.00 H new ATOM 0 HA LEU A 78 5.697 -0.433 -13.344 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.267 -0.754 -10.809 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.149 0.419 -11.767 1.00 0.00 H new ATOM 0 HG LEU A 78 5.651 2.217 -10.884 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.277 1.725 -8.900 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.710 0.835 -10.333 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.649 -0.007 -9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.668 2.279 -8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.132 0.569 -8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.844 1.794 -9.886 1.00 0.00 H new ATOM 1174 N GLU A 79 4.446 -2.147 -11.628 1.00 0.00 N ATOM 1175 CA GLU A 79 3.475 -3.144 -11.193 1.00 0.00 C ATOM 1176 C GLU A 79 4.023 -3.982 -10.042 1.00 0.00 C ATOM 1177 O GLU A 79 5.125 -4.525 -10.125 1.00 0.00 O ATOM 1178 CB GLU A 79 3.091 -4.054 -12.361 1.00 0.00 C ATOM 1179 CG GLU A 79 4.286 -4.645 -13.091 1.00 0.00 C ATOM 1180 CD GLU A 79 3.882 -5.628 -14.172 1.00 0.00 C ATOM 1181 OE1 GLU A 79 3.354 -6.706 -13.827 1.00 0.00 O ATOM 1182 OE2 GLU A 79 4.092 -5.320 -15.364 1.00 0.00 O1- ATOM 0 H GLU A 79 5.418 -2.449 -11.567 1.00 0.00 H new ATOM 0 HA GLU A 79 2.588 -2.617 -10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.466 -4.865 -11.988 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.487 -3.487 -13.069 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.869 -3.839 -13.537 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.934 -5.147 -12.372 1.00 0.00 H new ATOM 1189 N PHE A 80 3.245 -4.084 -8.969 1.00 0.00 N ATOM 1190 CA PHE A 80 3.648 -4.858 -7.800 1.00 0.00 C ATOM 1191 C PHE A 80 3.507 -6.356 -8.070 1.00 0.00 C ATOM 1192 O PHE A 80 2.644 -6.779 -8.839 1.00 0.00 O ATOM 1193 CB PHE A 80 2.815 -4.446 -6.577 1.00 0.00 C ATOM 1194 CG PHE A 80 1.681 -5.383 -6.260 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.496 -5.326 -6.976 1.00 0.00 C ATOM 1196 CD2 PHE A 80 1.806 -6.322 -5.249 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.543 -6.191 -6.691 1.00 0.00 C ATOM 1198 CE2 PHE A 80 0.769 -7.189 -4.958 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.407 -7.123 -5.681 1.00 0.00 C ATOM 0 H PHE A 80 2.331 -3.640 -8.885 1.00 0.00 H new ATOM 0 HA PHE A 80 4.697 -4.649 -7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.471 -4.381 -5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.411 -3.448 -6.746 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.383 -4.598 -7.765 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.724 -6.377 -4.682 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.461 -6.138 -7.258 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.878 -7.916 -4.167 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.219 -7.799 -5.456 1.00 0.00 H new ATOM 1209 N VAL A 81 4.359 -7.154 -7.433 1.00 0.00 N ATOM 1210 CA VAL A 81 4.322 -8.600 -7.607 1.00 0.00 C ATOM 1211 C VAL A 81 3.712 -9.285 -6.389 1.00 0.00 C ATOM 1212 O VAL A 81 2.994 -10.277 -6.519 1.00 0.00 O ATOM 1213 CB VAL A 81 5.728 -9.176 -7.858 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.223 -8.794 -9.245 1.00 0.00 C ATOM 1215 CG2 VAL A 81 6.701 -8.702 -6.789 1.00 0.00 C ATOM 0 H VAL A 81 5.081 -6.823 -6.793 1.00 0.00 H new ATOM 0 HA VAL A 81 3.700 -8.796 -8.480 1.00 0.00 H new ATOM 0 HB VAL A 81 5.668 -10.263 -7.805 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.218 -9.210 -9.404 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.540 -9.190 -9.997 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.266 -7.708 -9.330 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.688 -9.120 -6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.758 -7.614 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.355 -9.032 -5.810 1.00 0.00 H new ATOM 1225 N ARG A 82 3.999 -8.747 -5.207 1.00 0.00 N ATOM 1226 CA ARG A 82 3.479 -9.303 -3.960 1.00 0.00 C ATOM 1227 C ARG A 82 4.043 -8.559 -2.756 1.00 0.00 C ATOM 1228 O ARG A 82 5.023 -7.824 -2.872 1.00 0.00 O ATOM 1229 CB ARG A 82 3.815 -10.788 -3.851 1.00 0.00 C ATOM 1230 CG ARG A 82 5.290 -11.071 -4.020 1.00 0.00 C ATOM 1231 CD ARG A 82 5.542 -12.512 -4.435 1.00 0.00 C ATOM 1232 NE ARG A 82 6.665 -12.627 -5.362 1.00 0.00 N ATOM 1233 CZ ARG A 82 7.942 -12.559 -4.992 1.00 0.00 C ATOM 1234 NH1 ARG A 82 8.261 -12.377 -3.716 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 8.902 -12.673 -5.899 1.00 0.00 N ATOM 0 H ARG A 82 4.590 -7.925 -5.086 1.00 0.00 H new ATOM 0 HA ARG A 82 2.396 -9.184 -3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.488 -11.159 -2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.256 -11.338 -4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.706 -10.398 -4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.810 -10.866 -3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.740 -13.115 -3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.644 -12.917 -4.902 1.00 0.00 H new ATOM 0 HE ARG A 82 6.459 -12.768 -6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.526 -12.289 -3.014 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.241 -12.326 -3.438 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.662 -12.813 -6.881 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.880 -12.621 -5.615 1.00 0.00 H new ATOM 1249 N VAL A 83 3.417 -8.752 -1.599 1.00 0.00 N ATOM 1250 CA VAL A 83 3.856 -8.097 -0.375 1.00 0.00 C ATOM 1251 C VAL A 83 4.844 -8.965 0.400 1.00 0.00 C ATOM 1252 O VAL A 83 4.728 -10.190 0.421 1.00 0.00 O ATOM 1253 CB VAL A 83 2.658 -7.749 0.534 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.562 -7.058 -0.265 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.116 -8.995 1.223 1.00 0.00 C ATOM 0 H VAL A 83 2.604 -9.357 -1.485 1.00 0.00 H new ATOM 0 HA VAL A 83 4.356 -7.175 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 83 3.007 -7.062 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.726 -6.821 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.954 -6.138 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.220 -7.719 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.273 -8.722 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.787 -9.713 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.900 -9.443 1.834 1.00 0.00 H new ATOM 1265 N VAL A 84 5.815 -8.318 1.037 1.00 0.00 N ATOM 1266 CA VAL A 84 6.824 -9.025 1.816 1.00 0.00 C ATOM 1267 C VAL A 84 6.810 -8.588 3.283 1.00 0.00 C ATOM 1268 O VAL A 84 7.383 -9.260 4.141 1.00 0.00 O ATOM 1269 CB VAL A 84 8.235 -8.804 1.235 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.600 -7.326 1.253 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.265 -9.627 1.997 1.00 0.00 C ATOM 0 H VAL A 84 5.924 -7.304 1.029 1.00 0.00 H new ATOM 0 HA VAL A 84 6.576 -10.085 1.761 1.00 0.00 H new ATOM 0 HB VAL A 84 8.234 -9.139 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.599 -7.193 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.881 -6.766 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.581 -6.959 2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.254 -9.457 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.265 -9.329 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.014 -10.685 1.920 1.00 0.00 H new ATOM 1281 N LYS A 85 6.155 -7.463 3.569 1.00 0.00 N ATOM 1282 CA LYS A 85 6.078 -6.953 4.935 1.00 0.00 C ATOM 1283 C LYS A 85 4.751 -6.243 5.181 1.00 0.00 C ATOM 1284 O LYS A 85 4.127 -5.732 4.251 1.00 0.00 O ATOM 1285 CB LYS A 85 7.236 -5.993 5.215 1.00 0.00 C ATOM 1286 CG LYS A 85 8.552 -6.422 4.587 1.00 0.00 C ATOM 1287 CD LYS A 85 9.715 -5.595 5.110 1.00 0.00 C ATOM 1288 CE LYS A 85 11.000 -5.903 4.358 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.208 -5.577 5.165 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.673 -6.891 2.876 1.00 0.00 H new ATOM 0 HA LYS A 85 6.147 -7.805 5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.973 -5.002 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.370 -5.904 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.730 -7.476 4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.490 -6.320 3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.481 -4.535 5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.857 -5.795 6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.018 -6.959 4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.021 -5.335 3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.063 -5.801 4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.204 -4.564 5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.202 -6.137 6.041 1.00 0.00 H new ATOM 1303 N ALA A 86 4.328 -6.213 6.442 1.00 0.00 N ATOM 1304 CA ALA A 86 3.076 -5.564 6.813 1.00 0.00 C ATOM 1305 C ALA A 86 3.109 -5.085 8.261 1.00 0.00 C ATOM 1306 O ALA A 86 3.439 -5.846 9.170 1.00 0.00 O ATOM 1307 CB ALA A 86 1.908 -6.514 6.597 1.00 0.00 C ATOM 0 H ALA A 86 4.834 -6.631 7.223 1.00 0.00 H new ATOM 0 HA ALA A 86 2.946 -4.690 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.979 -6.018 6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.863 -6.802 5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.044 -7.404 7.212 1.00 0.00 H new ATOM 1313 N LYS A 87 2.764 -3.817 8.466 1.00 0.00 N ATOM 1314 CA LYS A 87 2.751 -3.231 9.802 1.00 0.00 C ATOM 1315 C LYS A 87 1.558 -2.294 9.968 1.00 0.00 C ATOM 1316 O LYS A 87 0.986 -1.824 8.985 1.00 0.00 O ATOM 1317 CB LYS A 87 4.053 -2.471 10.062 1.00 0.00 C ATOM 1318 CG LYS A 87 5.256 -3.377 10.269 1.00 0.00 C ATOM 1319 CD LYS A 87 5.986 -3.639 8.962 1.00 0.00 C ATOM 1320 CE LYS A 87 6.895 -4.853 9.065 1.00 0.00 C ATOM 1321 NZ LYS A 87 6.157 -6.061 9.528 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.489 -3.175 7.722 1.00 0.00 H new ATOM 0 HA LYS A 87 2.662 -4.039 10.528 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.250 -1.806 9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.927 -1.842 10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.940 -2.919 10.983 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.930 -4.323 10.701 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.260 -3.793 8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.576 -2.763 8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.345 -5.053 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.710 -4.639 9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.700 -6.914 9.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.028 -6.015 10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.227 -6.099 9.064 1.00 0.00 H new ATOM 1335 N GLU A 88 1.185 -2.027 11.217 1.00 0.00 N ATOM 1336 CA GLU A 88 0.057 -1.147 11.501 1.00 0.00 C ATOM 1337 C GLU A 88 0.352 -0.236 12.690 1.00 0.00 C ATOM 1338 O GLU A 88 0.882 -0.679 13.709 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.203 -1.973 11.775 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.160 -2.741 13.087 1.00 0.00 C ATOM 1341 CD GLU A 88 -2.246 -3.795 13.184 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -3.179 -3.765 12.353 1.00 0.00 O1- ATOM 1343 OE2 GLU A 88 -2.165 -4.649 14.091 1.00 0.00 O ATOM 0 H GLU A 88 1.646 -2.406 12.045 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.108 -0.520 10.625 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.067 -1.309 11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.349 -2.678 10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.186 -3.218 13.192 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.263 -2.041 13.916 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.002 1.038 12.552 1.00 0.00 N ATOM 1351 CA GLN A 89 0.218 2.015 13.613 1.00 0.00 C ATOM 1352 C GLN A 89 -1.006 2.910 13.783 1.00 0.00 C ATOM 1353 O GLN A 89 -1.838 3.017 12.881 1.00 0.00 O ATOM 1354 CB GLN A 89 1.451 2.867 13.307 1.00 0.00 C ATOM 1355 CG GLN A 89 1.300 3.737 12.070 1.00 0.00 C ATOM 1356 CD GLN A 89 2.575 4.479 11.723 1.00 0.00 C ATOM 1357 OE1 GLN A 89 3.678 3.746 11.631 1.00 0.00 O flip ATOM 1358 NE2 GLN A 89 2.569 5.696 11.538 1.00 0.00 N flip ATOM 0 H GLN A 89 -0.443 1.418 11.715 1.00 0.00 H new ATOM 0 HA GLN A 89 0.386 1.474 14.544 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.663 3.505 14.165 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.312 2.211 13.176 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.005 3.114 11.226 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.497 4.456 12.232 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.698 6.220 11.619 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.435 6.180 11.304 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.114 3.549 14.944 1.00 0.00 N ATOM 1368 CA VAL A 90 -2.240 4.431 15.226 1.00 0.00 C ATOM 1369 C VAL A 90 -1.829 5.898 15.158 1.00 0.00 C ATOM 1370 O VAL A 90 -0.923 6.334 15.869 1.00 0.00 O ATOM 1371 CB VAL A 90 -2.846 4.144 16.612 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -4.135 4.928 16.804 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -3.088 2.653 16.791 1.00 0.00 C ATOM 0 H VAL A 90 -0.437 3.472 15.703 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.990 4.234 14.460 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.135 4.467 17.373 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.549 4.712 17.789 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.927 5.995 16.723 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.854 4.639 16.037 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.516 2.470 17.776 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.778 2.302 16.024 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.143 2.118 16.701 1.00 0.00 H new ATOM 1383 N VAL A 91 -2.505 6.654 14.299 1.00 0.00 N ATOM 1384 CA VAL A 91 -2.220 8.074 14.133 1.00 0.00 C ATOM 1385 C VAL A 91 -3.408 8.797 13.509 1.00 0.00 C ATOM 1386 O VAL A 91 -3.582 8.787 12.290 1.00 0.00 O ATOM 1387 CB VAL A 91 -0.975 8.302 13.254 1.00 0.00 C ATOM 1388 CG1 VAL A 91 0.290 7.930 14.010 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.084 7.513 11.957 1.00 0.00 C ATOM 0 H VAL A 91 -3.257 6.305 13.705 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.028 8.478 15.127 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.920 9.361 13.003 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.158 8.098 13.372 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.373 8.546 14.906 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.248 6.879 14.295 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.196 7.687 11.350 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.166 6.450 12.184 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.968 7.836 11.408 1.00 0.00 H new ATOM 1399 N SER A 92 -4.229 9.417 14.351 1.00 0.00 N ATOM 1400 CA SER A 92 -5.405 10.138 13.878 1.00 0.00 C ATOM 1401 C SER A 92 -6.359 9.195 13.151 1.00 0.00 C ATOM 1402 O SER A 92 -7.117 9.613 12.277 1.00 0.00 O ATOM 1403 CB SER A 92 -4.992 11.281 12.950 1.00 0.00 C ATOM 1404 OG SER A 92 -4.080 12.156 13.592 1.00 0.00 O ATOM 0 H SER A 92 -4.102 9.434 15.363 1.00 0.00 H new ATOM 0 HA SER A 92 -5.920 10.554 14.744 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.536 10.874 12.047 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.876 11.837 12.638 1.00 0.00 H new ATOM 0 HG SER A 92 -3.830 12.877 12.977 1.00 0.00 H new ATOM 1410 N GLY A 93 -6.311 7.918 13.518 1.00 0.00 N ATOM 1411 CA GLY A 93 -7.169 6.930 12.892 1.00 0.00 C ATOM 1412 C GLY A 93 -6.518 5.563 12.835 1.00 0.00 C ATOM 1413 O GLY A 93 -6.312 4.923 13.866 1.00 0.00 O ATOM 0 H GLY A 93 -5.691 7.550 14.240 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.106 6.862 13.445 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.418 7.255 11.882 1.00 0.00 H new ATOM 1417 N MET A 94 -6.189 5.115 11.628 1.00 0.00 N ATOM 1418 CA MET A 94 -5.553 3.816 11.444 1.00 0.00 C ATOM 1419 C MET A 94 -4.590 3.843 10.262 1.00 0.00 C ATOM 1420 O MET A 94 -5.004 4.008 9.114 1.00 0.00 O ATOM 1421 CB MET A 94 -6.612 2.733 11.230 1.00 0.00 C ATOM 1422 CG MET A 94 -7.433 2.431 12.473 1.00 0.00 C ATOM 1423 SD MET A 94 -6.539 1.416 13.666 1.00 0.00 S ATOM 1424 CE MET A 94 -6.561 2.483 15.104 1.00 0.00 C ATOM 0 H MET A 94 -6.352 5.632 10.764 1.00 0.00 H new ATOM 0 HA MET A 94 -4.985 3.587 12.346 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.282 3.045 10.429 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.122 1.818 10.897 1.00 0.00 H new ATOM 0 HG2 MET A 94 -7.726 3.368 12.946 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.351 1.920 12.182 1.00 0.00 H new ATOM 0 HE1 MET A 94 -6.664 1.878 16.005 1.00 0.00 H new ATOM 0 HE2 MET A 94 -5.630 3.049 15.152 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.402 3.173 15.032 1.00 0.00 H new ATOM 1434 N MET A 95 -3.303 3.675 10.549 1.00 0.00 N ATOM 1435 CA MET A 95 -2.280 3.675 9.510 1.00 0.00 C ATOM 1436 C MET A 95 -1.670 2.285 9.358 1.00 0.00 C ATOM 1437 O MET A 95 -1.550 1.541 10.330 1.00 0.00 O ATOM 1438 CB MET A 95 -1.187 4.696 9.837 1.00 0.00 C ATOM 1439 CG MET A 95 -0.744 5.519 8.638 1.00 0.00 C ATOM 1440 SD MET A 95 0.359 6.871 9.092 1.00 0.00 S ATOM 1441 CE MET A 95 -0.622 8.288 8.604 1.00 0.00 C ATOM 0 H MET A 95 -2.944 3.537 11.494 1.00 0.00 H new ATOM 0 HA MET A 95 -2.750 3.954 8.567 1.00 0.00 H new ATOM 0 HB2 MET A 95 -1.550 5.368 10.614 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.323 4.172 10.247 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.240 4.869 7.922 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.622 5.925 8.136 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.018 9.167 8.535 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.081 8.096 7.634 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.401 8.464 9.346 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.292 1.938 8.132 1.00 0.00 N ATOM 1452 CA HIS A 96 -0.702 0.633 7.859 1.00 0.00 C ATOM 1453 C HIS A 96 0.515 0.758 6.948 1.00 0.00 C ATOM 1454 O HIS A 96 0.411 1.237 5.818 1.00 0.00 O ATOM 1455 CB HIS A 96 -1.738 -0.293 7.221 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.239 -1.687 6.999 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -0.239 -2.156 6.215 1.00 0.00 N flip ATOM 1458 CD2 HIS A 96 -1.783 -2.790 7.622 1.00 0.00 C flip ATOM 1459 CE1 HIS A 96 -0.199 -3.519 6.378 1.00 0.00 C flip ATOM 1460 NE2 HIS A 96 -1.140 -3.876 7.232 1.00 0.00 N flip ATOM 0 H HIS A 96 -1.383 2.541 7.314 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.376 0.207 8.808 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.622 -0.329 7.858 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.051 0.129 6.266 1.00 0.00 H new ATOM 0 HD1 HIS A 96 0.371 -1.600 5.615 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.607 -2.769 8.320 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.490 -4.190 5.887 1.00 0.00 H new ATOM 1469 N TYR A 97 1.665 0.318 7.446 1.00 0.00 N ATOM 1470 CA TYR A 97 2.903 0.371 6.678 1.00 0.00 C ATOM 1471 C TYR A 97 3.254 -1.011 6.140 1.00 0.00 C ATOM 1472 O TYR A 97 3.719 -1.876 6.882 1.00 0.00 O ATOM 1473 CB TYR A 97 4.046 0.901 7.546 1.00 0.00 C ATOM 1474 CG TYR A 97 3.936 2.377 7.858 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.797 2.897 8.460 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.972 3.250 7.550 1.00 0.00 C ATOM 1477 CE1 TYR A 97 2.692 4.244 8.746 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.875 4.599 7.834 1.00 0.00 C ATOM 1479 CZ TYR A 97 3.734 5.091 8.431 1.00 0.00 C ATOM 1480 OH TYR A 97 3.634 6.434 8.714 1.00 0.00 O ATOM 0 H TYR A 97 1.766 -0.080 8.380 1.00 0.00 H new ATOM 0 HA TYR A 97 2.757 1.048 5.837 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.070 0.341 8.481 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.993 0.715 7.039 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.980 2.236 8.709 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.867 2.868 7.081 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.799 4.632 9.214 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.689 5.265 7.589 1.00 0.00 H new ATOM 0 HH TYR A 97 2.692 6.672 8.842 1.00 0.00 H new ATOM 1490 N LEU A 98 3.019 -1.218 4.849 1.00 0.00 N ATOM 1491 CA LEU A 98 3.301 -2.503 4.220 1.00 0.00 C ATOM 1492 C LEU A 98 4.357 -2.367 3.129 1.00 0.00 C ATOM 1493 O LEU A 98 4.371 -1.388 2.382 1.00 0.00 O ATOM 1494 CB LEU A 98 2.020 -3.091 3.627 1.00 0.00 C ATOM 1495 CG LEU A 98 1.441 -2.313 2.443 1.00 0.00 C ATOM 1496 CD1 LEU A 98 1.081 -3.256 1.306 1.00 0.00 C ATOM 1497 CD2 LEU A 98 0.226 -1.507 2.877 1.00 0.00 C ATOM 0 H LEU A 98 2.635 -0.514 4.219 1.00 0.00 H new ATOM 0 HA LEU A 98 3.688 -3.173 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.221 -4.114 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.265 -3.145 4.412 1.00 0.00 H new ATOM 0 HG LEU A 98 2.202 -1.620 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.671 -2.683 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.974 -3.786 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.339 -3.976 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.172 -0.960 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.538 -2.181 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.517 -0.801 3.655 1.00 0.00 H new ATOM 1509 N THR A 99 5.235 -3.360 3.038 1.00 0.00 N ATOM 1510 CA THR A 99 6.288 -3.358 2.032 1.00 0.00 C ATOM 1511 C THR A 99 6.039 -4.451 1.001 1.00 0.00 C ATOM 1512 O THR A 99 5.796 -5.603 1.357 1.00 0.00 O ATOM 1513 CB THR A 99 7.653 -3.562 2.690 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.655 -3.060 4.016 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.785 -2.889 1.943 1.00 0.00 C ATOM 0 H THR A 99 5.237 -4.176 3.649 1.00 0.00 H new ATOM 0 HA THR A 99 6.281 -2.391 1.528 1.00 0.00 H new ATOM 0 HB THR A 99 7.819 -4.639 2.677 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.557 -2.756 4.249 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.725 -3.073 2.464 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.845 -3.293 0.932 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.602 -1.816 1.895 1.00 0.00 H new ATOM 1523 N VAL A 100 6.095 -4.087 -0.275 1.00 0.00 N ATOM 1524 CA VAL A 100 5.869 -5.048 -1.347 1.00 0.00 C ATOM 1525 C VAL A 100 6.911 -4.902 -2.452 1.00 0.00 C ATOM 1526 O VAL A 100 7.567 -3.866 -2.567 1.00 0.00 O ATOM 1527 CB VAL A 100 4.450 -4.903 -1.946 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.416 -4.758 -0.839 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.373 -3.722 -2.905 1.00 0.00 C ATOM 0 H VAL A 100 6.294 -3.138 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 100 5.962 -6.041 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 100 4.232 -5.809 -2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.424 -4.657 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.441 -5.640 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.641 -3.872 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.364 -3.647 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.620 -2.804 -2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.080 -3.869 -3.721 1.00 0.00 H new ATOM 1539 N GLU A 101 7.054 -5.943 -3.264 1.00 0.00 N ATOM 1540 CA GLU A 101 8.013 -5.929 -4.361 1.00 0.00 C ATOM 1541 C GLU A 101 7.371 -5.370 -5.624 1.00 0.00 C ATOM 1542 O GLU A 101 6.270 -5.771 -6.001 1.00 0.00 O ATOM 1543 CB GLU A 101 8.543 -7.340 -4.623 1.00 0.00 C ATOM 1544 CG GLU A 101 9.782 -7.685 -3.812 1.00 0.00 C ATOM 1545 CD GLU A 101 10.100 -9.167 -3.837 1.00 0.00 C ATOM 1546 OE1 GLU A 101 9.219 -9.970 -3.463 1.00 0.00 O1- ATOM 1547 OE2 GLU A 101 11.230 -9.525 -4.229 1.00 0.00 O ATOM 0 H GLU A 101 6.518 -6.807 -3.183 1.00 0.00 H new ATOM 0 HA GLU A 101 8.847 -5.286 -4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.758 -8.062 -4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.773 -7.442 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.634 -7.128 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.637 -7.365 -2.780 1.00 0.00 H new ATOM 1554 N VAL A 102 8.059 -4.436 -6.270 1.00 0.00 N ATOM 1555 CA VAL A 102 7.546 -3.819 -7.487 1.00 0.00 C ATOM 1556 C VAL A 102 8.481 -4.058 -8.667 1.00 0.00 C ATOM 1557 O VAL A 102 9.691 -4.208 -8.496 1.00 0.00 O ATOM 1558 CB VAL A 102 7.345 -2.303 -7.305 1.00 0.00 C ATOM 1559 CG1 VAL A 102 6.578 -1.720 -8.481 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.629 -2.011 -5.995 1.00 0.00 C ATOM 0 H VAL A 102 8.971 -4.090 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 102 6.583 -4.286 -7.693 1.00 0.00 H new ATOM 0 HB VAL A 102 8.326 -1.828 -7.270 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.446 -0.648 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.136 -1.894 -9.401 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.602 -2.199 -8.552 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.496 -0.935 -5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.654 -2.498 -5.997 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.223 -2.390 -5.163 1.00 0.00 H new ATOM 1570 N ASN A 103 7.908 -4.091 -9.866 1.00 0.00 N ATOM 1571 CA ASN A 103 8.683 -4.309 -11.081 1.00 0.00 C ATOM 1572 C ASN A 103 8.404 -3.213 -12.105 1.00 0.00 C ATOM 1573 O ASN A 103 7.278 -2.729 -12.218 1.00 0.00 O ATOM 1574 CB ASN A 103 8.358 -5.678 -11.681 1.00 0.00 C ATOM 1575 CG ASN A 103 9.205 -5.993 -12.898 1.00 0.00 C ATOM 1576 OD1 ASN A 103 9.134 -5.301 -13.914 1.00 0.00 O ATOM 1577 ND2 ASN A 103 10.013 -7.042 -12.801 1.00 0.00 N ATOM 0 H ASN A 103 6.907 -3.969 -10.022 1.00 0.00 H new ATOM 0 HA ASN A 103 9.741 -4.278 -10.819 1.00 0.00 H new ATOM 0 HB2 ASN A 103 8.512 -6.448 -10.925 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.304 -5.709 -11.958 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.607 -7.302 -13.588 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.039 -7.587 -11.939 1.00 0.00 H new ATOM 1584 N ASP A 104 9.437 -2.825 -12.846 1.00 0.00 N ATOM 1585 CA ASP A 104 9.302 -1.784 -13.859 1.00 0.00 C ATOM 1586 C ASP A 104 10.164 -2.093 -15.078 1.00 0.00 C ATOM 1587 O ASP A 104 11.386 -1.950 -15.040 1.00 0.00 O ATOM 1588 CB ASP A 104 9.692 -0.424 -13.277 1.00 0.00 C ATOM 1589 CG ASP A 104 8.960 0.722 -13.946 1.00 0.00 C ATOM 1590 OD1 ASP A 104 8.917 0.752 -15.193 1.00 0.00 O1- ATOM 1591 OD2 ASP A 104 8.429 1.591 -13.221 1.00 0.00 O ATOM 0 H ASP A 104 10.376 -3.215 -12.764 1.00 0.00 H new ATOM 0 HA ASP A 104 8.259 -1.753 -14.174 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.477 -0.414 -12.208 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.767 -0.279 -13.388 1.00 0.00 H new ATOM 1596 N ALA A 105 9.518 -2.517 -16.160 1.00 0.00 N ATOM 1597 CA ALA A 105 10.225 -2.846 -17.393 1.00 0.00 C ATOM 1598 C ALA A 105 11.286 -3.914 -17.154 1.00 0.00 C ATOM 1599 O ALA A 105 12.307 -3.954 -17.841 1.00 0.00 O ATOM 1600 CB ALA A 105 10.856 -1.596 -17.987 1.00 0.00 C ATOM 0 H ALA A 105 8.507 -2.641 -16.208 1.00 0.00 H new ATOM 0 HA ALA A 105 9.500 -3.247 -18.101 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.381 -1.855 -18.907 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.078 -0.865 -18.207 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.562 -1.171 -17.274 1.00 0.00 H new ATOM 1606 N GLY A 106 11.039 -4.779 -16.175 1.00 0.00 N ATOM 1607 CA GLY A 106 11.984 -5.835 -15.863 1.00 0.00 C ATOM 1608 C GLY A 106 12.745 -5.574 -14.578 1.00 0.00 C ATOM 1609 O GLY A 106 13.183 -6.509 -13.909 1.00 0.00 O ATOM 0 H GLY A 106 10.202 -4.767 -15.593 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.451 -6.782 -15.779 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.692 -5.939 -16.685 1.00 0.00 H new ATOM 1613 N LYS A 107 12.903 -4.300 -14.233 1.00 0.00 N ATOM 1614 CA LYS A 107 13.617 -3.921 -13.019 1.00 0.00 C ATOM 1615 C LYS A 107 12.837 -4.340 -11.778 1.00 0.00 C ATOM 1616 O LYS A 107 11.791 -3.770 -11.468 1.00 0.00 O ATOM 1617 CB LYS A 107 13.862 -2.411 -12.997 1.00 0.00 C ATOM 1618 CG LYS A 107 15.165 -1.997 -13.659 1.00 0.00 C ATOM 1619 CD LYS A 107 15.130 -0.541 -14.096 1.00 0.00 C ATOM 1620 CE LYS A 107 15.196 0.400 -12.904 1.00 0.00 C ATOM 1621 NZ LYS A 107 14.466 1.672 -13.159 1.00 0.00 N1+ ATOM 0 H LYS A 107 12.547 -3.514 -14.776 1.00 0.00 H new ATOM 0 HA LYS A 107 14.577 -4.437 -13.015 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.034 -1.910 -13.498 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.864 -2.067 -11.963 1.00 0.00 H new ATOM 0 HG2 LYS A 107 15.992 -2.150 -12.965 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.353 -2.633 -14.524 1.00 0.00 H new ATOM 0 HD2 LYS A 107 15.966 -0.341 -14.766 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.217 -0.351 -14.661 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.772 -0.093 -12.029 1.00 0.00 H new ATOM 0 HE3 LYS A 107 16.238 0.620 -12.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.535 2.286 -12.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.886 2.155 -13.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.466 1.465 -13.355 1.00 0.00 H new ATOM 1635 N LYS A 108 13.353 -5.340 -11.071 1.00 0.00 N ATOM 1636 CA LYS A 108 12.705 -5.837 -9.862 1.00 0.00 C ATOM 1637 C LYS A 108 13.320 -5.207 -8.617 1.00 0.00 C ATOM 1638 O LYS A 108 14.541 -5.146 -8.479 1.00 0.00 O ATOM 1639 CB LYS A 108 12.822 -7.361 -9.788 1.00 0.00 C ATOM 1640 CG LYS A 108 12.146 -7.964 -8.568 1.00 0.00 C ATOM 1641 CD LYS A 108 10.757 -8.484 -8.902 1.00 0.00 C ATOM 1642 CE LYS A 108 9.883 -8.572 -7.661 1.00 0.00 C ATOM 1643 NZ LYS A 108 9.829 -9.958 -7.118 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.218 -5.822 -11.314 1.00 0.00 H new ATOM 0 HA LYS A 108 11.651 -5.561 -9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.384 -7.795 -10.687 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.877 -7.636 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.756 -8.778 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.075 -7.213 -7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.287 -7.827 -9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.837 -9.468 -9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.268 -7.897 -6.897 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.874 -8.237 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.323 -9.955 -6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.330 -10.575 -7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.796 -10.313 -6.975 1.00 0.00 H new ATOM 1657 N LYS A 109 12.466 -4.740 -7.711 1.00 0.00 N ATOM 1658 CA LYS A 109 12.929 -4.114 -6.478 1.00 0.00 C ATOM 1659 C LYS A 109 11.863 -4.192 -5.389 1.00 0.00 C ATOM 1660 O LYS A 109 10.734 -4.613 -5.640 1.00 0.00 O ATOM 1661 CB LYS A 109 13.307 -2.654 -6.734 1.00 0.00 C ATOM 1662 CG LYS A 109 14.780 -2.455 -7.060 1.00 0.00 C ATOM 1663 CD LYS A 109 14.967 -1.600 -8.302 1.00 0.00 C ATOM 1664 CE LYS A 109 16.340 -1.810 -8.922 1.00 0.00 C ATOM 1665 NZ LYS A 109 16.384 -3.033 -9.770 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.452 -4.783 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 109 13.810 -4.657 -6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.706 -2.271 -7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.055 -2.062 -5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.280 -1.983 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.254 -3.425 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.196 -1.844 -9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.840 -0.549 -8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 109 16.603 -0.941 -9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 109 17.087 -1.889 -8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 17.362 -3.382 -9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 15.778 -3.767 -9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 16.043 -2.805 -10.726 1.00 0.00 H new ATOM 1679 N LEU A 110 12.231 -3.781 -4.180 1.00 0.00 N ATOM 1680 CA LEU A 110 11.311 -3.799 -3.049 1.00 0.00 C ATOM 1681 C LEU A 110 11.018 -2.380 -2.570 1.00 0.00 C ATOM 1682 O LEU A 110 11.924 -1.656 -2.155 1.00 0.00 O ATOM 1683 CB LEU A 110 11.895 -4.633 -1.904 1.00 0.00 C ATOM 1684 CG LEU A 110 11.167 -4.508 -0.563 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.674 -4.738 -0.739 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.744 -5.488 0.448 1.00 0.00 C ATOM 0 H LEU A 110 13.163 -3.430 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 110 10.375 -4.253 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.893 -5.681 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.936 -4.344 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 110 11.314 -3.496 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.175 -4.645 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.271 -3.997 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.505 -5.737 -1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.215 -5.386 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.628 -6.506 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.802 -5.275 0.598 1.00 0.00 H new ATOM 1698 N TYR A 111 9.750 -1.987 -2.632 1.00 0.00 N ATOM 1699 CA TYR A 111 9.344 -0.653 -2.205 1.00 0.00 C ATOM 1700 C TYR A 111 8.343 -0.724 -1.055 1.00 0.00 C ATOM 1701 O TYR A 111 7.529 -1.645 -0.980 1.00 0.00 O ATOM 1702 CB TYR A 111 8.737 0.121 -3.377 1.00 0.00 C ATOM 1703 CG TYR A 111 9.587 0.112 -4.631 1.00 0.00 C ATOM 1704 CD1 TYR A 111 10.974 0.038 -4.560 1.00 0.00 C ATOM 1705 CD2 TYR A 111 8.999 0.181 -5.888 1.00 0.00 C ATOM 1706 CE1 TYR A 111 11.748 0.035 -5.705 1.00 0.00 C ATOM 1707 CE2 TYR A 111 9.766 0.176 -7.037 1.00 0.00 C ATOM 1708 CZ TYR A 111 11.139 0.103 -6.941 1.00 0.00 C ATOM 1709 OH TYR A 111 11.906 0.101 -8.085 1.00 0.00 O ATOM 0 H TYR A 111 8.987 -2.572 -2.973 1.00 0.00 H new ATOM 0 HA TYR A 111 10.234 -0.130 -1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.760 -0.302 -3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.572 1.154 -3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.454 -0.018 -3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.924 0.240 -5.968 1.00 0.00 H new ATOM 0 HE1 TYR A 111 12.824 -0.020 -5.633 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.292 0.229 -8.006 1.00 0.00 H new ATOM 0 HH TYR A 111 11.322 0.153 -8.870 1.00 0.00 H new ATOM 1719 N GLU A 112 8.411 0.259 -0.164 1.00 0.00 N ATOM 1720 CA GLU A 112 7.515 0.321 0.984 1.00 0.00 C ATOM 1721 C GLU A 112 6.405 1.341 0.749 1.00 0.00 C ATOM 1722 O GLU A 112 6.614 2.359 0.090 1.00 0.00 O ATOM 1723 CB GLU A 112 8.297 0.685 2.247 1.00 0.00 C ATOM 1724 CG GLU A 112 7.686 0.129 3.523 1.00 0.00 C ATOM 1725 CD GLU A 112 7.493 1.190 4.589 1.00 0.00 C ATOM 1726 OE1 GLU A 112 6.793 2.187 4.314 1.00 0.00 O1- ATOM 1727 OE2 GLU A 112 8.041 1.023 5.699 1.00 0.00 O ATOM 0 H GLU A 112 9.081 1.027 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 112 7.062 -0.662 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.318 0.315 2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.358 1.770 2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.723 -0.327 3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.327 -0.661 3.914 1.00 0.00 H new ATOM 1734 N ALA A 113 5.224 1.060 1.290 1.00 0.00 N ATOM 1735 CA ALA A 113 4.082 1.953 1.138 1.00 0.00 C ATOM 1736 C ALA A 113 3.310 2.083 2.446 1.00 0.00 C ATOM 1737 O ALA A 113 3.041 1.087 3.120 1.00 0.00 O ATOM 1738 CB ALA A 113 3.165 1.452 0.032 1.00 0.00 C ATOM 0 H ALA A 113 5.033 0.221 1.838 1.00 0.00 H new ATOM 0 HA ALA A 113 4.457 2.940 0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.316 2.128 -0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.715 1.415 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.806 0.454 0.282 1.00 0.00 H new ATOM 1744 N LYS A 114 2.952 3.314 2.801 1.00 0.00 N ATOM 1745 CA LYS A 114 2.206 3.561 4.030 1.00 0.00 C ATOM 1746 C LYS A 114 0.839 4.164 3.727 1.00 0.00 C ATOM 1747 O LYS A 114 0.739 5.252 3.159 1.00 0.00 O ATOM 1748 CB LYS A 114 2.992 4.482 4.966 1.00 0.00 C ATOM 1749 CG LYS A 114 3.363 5.811 4.338 1.00 0.00 C ATOM 1750 CD LYS A 114 4.671 6.345 4.898 1.00 0.00 C ATOM 1751 CE LYS A 114 5.866 5.591 4.338 1.00 0.00 C ATOM 1752 NZ LYS A 114 7.092 6.436 4.308 1.00 0.00 N1+ ATOM 0 H LYS A 114 3.165 4.151 2.258 1.00 0.00 H new ATOM 0 HA LYS A 114 2.057 2.603 4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.400 4.666 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.902 3.973 5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.450 5.693 3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.567 6.534 4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.764 7.405 4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.664 6.262 5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.051 4.704 4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.638 5.247 3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.324 6.677 3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.925 7.309 4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.885 5.913 4.732 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.210 3.445 4.109 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.577 3.898 3.881 1.00 0.00 C ATOM 1768 C VAL A 115 -2.223 4.364 5.181 1.00 0.00 C ATOM 1769 O VAL A 115 -1.891 3.876 6.260 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.443 2.785 3.260 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -3.807 3.327 2.861 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -1.737 2.164 2.064 1.00 0.00 C ATOM 0 H VAL A 115 -0.139 2.543 4.580 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.522 4.734 3.184 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.593 2.007 4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.403 2.526 2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.315 3.719 3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.682 4.126 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.363 1.380 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.554 2.931 1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.787 1.736 2.384 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.143 5.317 5.071 1.00 0.00 N ATOM 1783 CA TRP A 116 -3.830 5.855 6.240 1.00 0.00 C ATOM 1784 C TRP A 116 -5.342 5.832 6.045 1.00 0.00 C ATOM 1785 O TRP A 116 -5.841 6.080 4.947 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.358 7.284 6.514 1.00 0.00 C ATOM 1787 CG TRP A 116 -3.974 7.897 7.735 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -3.989 7.376 8.996 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -4.662 9.151 7.809 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -4.645 8.230 9.851 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.067 9.326 9.145 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -4.975 10.143 6.875 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -5.767 10.453 9.569 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -5.670 11.260 7.297 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.059 11.408 8.634 1.00 0.00 C ATOM 0 H TRP A 116 -3.430 5.733 4.185 1.00 0.00 H new ATOM 0 HA TRP A 116 -3.588 5.226 7.097 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.274 7.284 6.626 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -3.590 7.906 5.649 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -3.550 6.431 9.281 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -4.793 8.073 10.848 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -4.679 10.038 5.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.069 10.569 10.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -5.917 12.032 6.584 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -6.600 12.294 8.933 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.064 5.532 7.121 1.00 0.00 N ATOM 1807 CA GLU A 117 -7.520 5.473 7.078 1.00 0.00 C ATOM 1808 C GLU A 117 -8.114 5.806 8.444 1.00 0.00 C ATOM 1809 O GLU A 117 -7.757 5.194 9.451 1.00 0.00 O ATOM 1810 CB GLU A 117 -7.982 4.084 6.630 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.493 3.911 6.633 1.00 0.00 C ATOM 1812 CD GLU A 117 -9.987 3.122 7.830 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.238 2.248 8.315 1.00 0.00 O1- ATOM 1814 OE2 GLU A 117 -11.122 3.378 8.282 1.00 0.00 O ATOM 0 H GLU A 117 -5.662 5.326 8.035 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.871 6.212 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.605 3.892 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.538 3.334 7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.967 4.892 6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.799 3.405 5.717 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.017 6.780 8.472 1.00 0.00 N ATOM 1822 CA GLN A 118 -9.655 7.194 9.714 1.00 0.00 C ATOM 1823 C GLN A 118 -11.049 6.587 9.842 1.00 0.00 C ATOM 1824 O GLN A 118 -11.540 5.935 8.920 1.00 0.00 O ATOM 1825 CB GLN A 118 -9.746 8.718 9.779 1.00 0.00 C ATOM 1826 CG GLN A 118 -8.534 9.430 9.200 1.00 0.00 C ATOM 1827 CD GLN A 118 -8.650 9.657 7.705 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -9.514 10.403 7.244 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -7.777 9.013 6.940 1.00 0.00 N ATOM 0 H GLN A 118 -9.323 7.297 7.648 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.045 6.834 10.542 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -10.637 9.043 9.242 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -9.872 9.021 10.818 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.408 10.390 9.701 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.639 8.843 9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.078 8.405 7.365 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -7.806 9.127 5.927 1.00 0.00 H new ATOM 1838 N VAL A 119 -11.681 6.809 10.990 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.019 6.289 11.240 1.00 0.00 C ATOM 1840 C VAL A 119 -14.028 7.425 11.385 1.00 0.00 C ATOM 1841 O VAL A 119 -15.167 7.320 10.930 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.054 5.414 12.510 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -12.661 6.227 13.734 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -14.429 4.789 12.693 1.00 0.00 C ATOM 0 H VAL A 119 -11.287 7.346 11.762 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.289 5.675 10.381 1.00 0.00 H new ATOM 0 HB VAL A 119 -12.329 4.609 12.391 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.692 5.591 14.619 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -11.652 6.617 13.603 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -13.357 7.056 13.859 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.433 4.176 13.594 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.177 5.576 12.787 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -14.664 4.167 11.830 1.00 0.00 H new ATOM 1854 N TRP A 120 -13.598 8.511 12.019 1.00 0.00 N ATOM 1855 CA TRP A 120 -14.460 9.670 12.223 1.00 0.00 C ATOM 1856 C TRP A 120 -14.474 10.567 10.987 1.00 0.00 C ATOM 1857 O TRP A 120 -15.399 11.355 10.793 1.00 0.00 O ATOM 1858 CB TRP A 120 -13.991 10.470 13.439 1.00 0.00 C ATOM 1859 CG TRP A 120 -12.554 10.884 13.358 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -12.052 11.981 12.719 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -11.432 10.205 13.933 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -10.686 12.027 12.863 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -10.282 10.947 13.604 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -11.289 9.042 14.695 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -9.007 10.563 14.011 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -10.022 8.662 15.098 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -8.896 9.421 14.756 1.00 0.00 C ATOM 0 H TRP A 120 -12.658 8.613 12.401 1.00 0.00 H new ATOM 0 HA TRP A 120 -15.474 9.310 12.399 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -14.613 11.359 13.542 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -14.139 9.872 14.338 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -12.642 12.707 12.179 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -10.073 12.747 12.481 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -12.152 8.451 14.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.137 11.146 13.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -9.899 7.765 15.686 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -7.920 9.098 15.087 1.00 0.00 H new ATOM 1878 N MET A 121 -13.445 10.440 10.153 1.00 0.00 N ATOM 1879 CA MET A 121 -13.344 11.237 8.937 1.00 0.00 C ATOM 1880 C MET A 121 -13.847 10.447 7.733 1.00 0.00 C ATOM 1881 O MET A 121 -14.285 11.024 6.737 1.00 0.00 O ATOM 1882 CB MET A 121 -11.896 11.674 8.707 1.00 0.00 C ATOM 1883 CG MET A 121 -11.719 12.582 7.500 1.00 0.00 C ATOM 1884 SD MET A 121 -11.549 14.319 7.955 1.00 0.00 S ATOM 1885 CE MET A 121 -9.828 14.607 7.552 1.00 0.00 C ATOM 0 H MET A 121 -12.670 9.793 10.298 1.00 0.00 H new ATOM 0 HA MET A 121 -13.967 12.123 9.057 1.00 0.00 H new ATOM 0 HB2 MET A 121 -11.536 12.191 9.596 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.274 10.788 8.579 1.00 0.00 H new ATOM 0 HG2 MET A 121 -10.837 12.269 6.941 1.00 0.00 H new ATOM 0 HG3 MET A 121 -12.575 12.467 6.835 1.00 0.00 H new ATOM 0 HE1 MET A 121 -9.569 15.641 7.778 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.200 13.939 8.141 1.00 0.00 H new ATOM 0 HE3 MET A 121 -9.666 14.416 6.491 1.00 0.00 H new ATOM 1895 N ASN A 122 -13.782 9.123 7.833 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.229 8.250 6.756 1.00 0.00 C ATOM 1897 C ASN A 122 -13.402 8.473 5.495 1.00 0.00 C ATOM 1898 O ASN A 122 -13.933 8.481 4.384 1.00 0.00 O ATOM 1899 CB ASN A 122 -15.712 8.487 6.460 1.00 0.00 C ATOM 1900 CG ASN A 122 -16.618 7.636 7.327 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -16.438 7.729 8.640 1.00 0.00 O flip ATOM 1902 ND2 ASN A 122 -17.471 6.904 6.824 1.00 0.00 N flip ATOM 0 H ASN A 122 -13.423 8.631 8.651 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.092 7.218 7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -15.947 9.540 6.617 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -15.909 8.270 5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -17.575 6.864 5.810 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -18.074 6.338 7.421 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.098 8.652 5.674 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.195 8.875 4.551 1.00 0.00 C ATOM 1911 C PHE A 123 -10.017 7.907 4.601 1.00 0.00 C ATOM 1912 O PHE A 123 -9.522 7.569 5.676 1.00 0.00 O ATOM 1913 CB PHE A 123 -10.688 10.320 4.556 1.00 0.00 C ATOM 1914 CG PHE A 123 -11.328 11.182 3.506 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -11.464 10.727 2.204 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -11.793 12.449 3.820 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -12.052 11.518 1.236 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -12.382 13.246 2.856 1.00 0.00 C ATOM 1919 CZ PHE A 123 -12.511 12.779 1.563 1.00 0.00 C ATOM 0 H PHE A 123 -11.642 8.647 6.587 1.00 0.00 H new ATOM 0 HA PHE A 123 -11.748 8.696 3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -10.873 10.758 5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.608 10.319 4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -11.106 9.742 1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -11.694 12.818 4.830 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -12.153 11.151 0.225 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -12.740 14.232 3.114 1.00 0.00 H new ATOM 0 HZ PHE A 123 -12.971 13.399 0.808 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.574 7.464 3.428 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.454 6.535 3.334 1.00 0.00 C ATOM 1931 C ARG A 124 -7.661 6.771 2.054 1.00 0.00 C ATOM 1932 O ARG A 124 -8.228 6.829 0.963 1.00 0.00 O ATOM 1933 CB ARG A 124 -8.957 5.091 3.377 1.00 0.00 C ATOM 1934 CG ARG A 124 -10.043 4.794 2.356 1.00 0.00 C ATOM 1935 CD ARG A 124 -11.419 5.174 2.879 1.00 0.00 C ATOM 1936 NE ARG A 124 -12.149 4.016 3.389 1.00 0.00 N ATOM 1937 CZ ARG A 124 -13.458 4.014 3.633 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -14.182 5.105 3.416 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -14.044 2.918 4.096 1.00 0.00 N ATOM 0 H ARG A 124 -9.974 7.734 2.529 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.797 6.708 4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.117 4.417 3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.340 4.878 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -9.838 5.342 1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -10.028 3.733 2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -11.314 5.914 3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -11.994 5.642 2.080 1.00 0.00 H new ATOM 0 HE ARG A 124 -11.626 3.159 3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -13.736 5.951 3.061 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -15.184 5.098 3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -13.492 2.077 4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -15.047 2.916 4.283 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.346 6.908 2.192 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.480 7.140 1.041 1.00 0.00 C ATOM 1955 C GLN A 125 -4.023 6.842 1.381 1.00 0.00 C ATOM 1956 O GLN A 125 -3.689 6.550 2.529 1.00 0.00 O ATOM 1957 CB GLN A 125 -5.617 8.585 0.558 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.148 9.612 1.575 1.00 0.00 C ATOM 1959 CD GLN A 125 -5.981 10.879 1.552 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -6.899 11.017 0.743 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -5.665 11.812 2.443 1.00 0.00 N ATOM 0 H GLN A 125 -5.858 6.863 3.086 1.00 0.00 H new ATOM 0 HA GLN A 125 -5.791 6.464 0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.044 8.708 -0.361 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.661 8.780 0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -5.187 9.174 2.572 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -4.106 9.863 1.378 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.896 11.655 3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.191 12.685 2.475 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.160 6.924 0.373 1.00 0.00 N ATOM 1971 CA LEU A 126 -1.736 6.669 0.562 1.00 0.00 C ATOM 1972 C LEU A 126 -1.020 7.934 1.022 1.00 0.00 C ATOM 1973 O LEU A 126 -1.304 9.030 0.539 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.111 6.157 -0.738 1.00 0.00 C ATOM 1975 CG LEU A 126 0.409 5.967 -0.696 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.803 4.633 -1.312 1.00 0.00 C ATOM 1977 CD2 LEU A 126 1.110 7.113 -1.412 1.00 0.00 C ATOM 0 H LEU A 126 -3.422 7.165 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.624 5.906 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.574 5.204 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.353 6.855 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 126 0.724 5.967 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.886 4.519 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.332 3.822 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.473 4.600 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.189 6.961 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.786 7.144 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.858 8.055 -0.925 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.095 7.777 1.963 1.00 0.00 N ATOM 1990 CA GLN A 127 0.655 8.910 2.489 1.00 0.00 C ATOM 1991 C GLN A 127 2.015 9.034 1.813 1.00 0.00 C ATOM 1992 O GLN A 127 2.348 10.083 1.261 1.00 0.00 O ATOM 1993 CB GLN A 127 0.834 8.770 4.002 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.397 9.172 4.798 1.00 0.00 C ATOM 1995 CD GLN A 127 -1.672 8.568 4.244 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -1.843 7.350 4.240 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.571 9.419 3.765 1.00 0.00 N ATOM 0 H GLN A 127 0.152 6.878 2.376 1.00 0.00 H new ATOM 0 HA GLN A 127 0.086 9.815 2.277 1.00 0.00 H new ATOM 0 HB2 GLN A 127 1.086 7.736 4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.678 9.383 4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.272 8.860 5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.485 10.258 4.800 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -2.387 10.422 3.789 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.446 9.070 3.373 1.00 0.00 H new ATOM 2006 N GLU A 128 2.801 7.964 1.862 1.00 0.00 N ATOM 2007 CA GLU A 128 4.127 7.974 1.253 1.00 0.00 C ATOM 2008 C GLU A 128 4.494 6.609 0.678 1.00 0.00 C ATOM 2009 O GLU A 128 3.991 5.571 1.119 1.00 0.00 O ATOM 2010 CB GLU A 128 5.184 8.403 2.275 1.00 0.00 C ATOM 2011 CG GLU A 128 4.703 9.463 3.254 1.00 0.00 C ATOM 2012 CD GLU A 128 4.603 10.839 2.625 1.00 0.00 C ATOM 2013 OE1 GLU A 128 4.685 10.932 1.382 1.00 0.00 O1- ATOM 2014 OE2 GLU A 128 4.443 11.825 3.376 1.00 0.00 O ATOM 0 H GLU A 128 2.546 7.085 2.313 1.00 0.00 H new ATOM 0 HA GLU A 128 4.102 8.693 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.510 7.527 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.056 8.783 1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.727 9.175 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.386 9.505 4.102 1.00 0.00 H new ATOM 2021 N PHE A 129 5.386 6.630 -0.308 1.00 0.00 N ATOM 2022 CA PHE A 129 5.855 5.415 -0.963 1.00 0.00 C ATOM 2023 C PHE A 129 7.370 5.470 -1.142 1.00 0.00 C ATOM 2024 O PHE A 129 7.879 6.239 -1.957 1.00 0.00 O ATOM 2025 CB PHE A 129 5.173 5.250 -2.323 1.00 0.00 C ATOM 2026 CG PHE A 129 5.016 3.818 -2.753 1.00 0.00 C ATOM 2027 CD1 PHE A 129 6.065 3.142 -3.354 1.00 0.00 C ATOM 2028 CD2 PHE A 129 3.816 3.151 -2.561 1.00 0.00 C ATOM 2029 CE1 PHE A 129 5.921 1.827 -3.754 1.00 0.00 C ATOM 2030 CE2 PHE A 129 3.667 1.837 -2.960 1.00 0.00 C ATOM 2031 CZ PHE A 129 4.721 1.174 -3.558 1.00 0.00 C ATOM 0 H PHE A 129 5.802 7.486 -0.674 1.00 0.00 H new ATOM 0 HA PHE A 129 5.602 4.559 -0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 129 4.189 5.718 -2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.752 5.785 -3.076 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.006 3.648 -3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 129 2.988 3.664 -2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.747 1.311 -4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 129 2.727 1.328 -2.805 1.00 0.00 H new ATOM 0 HZ PHE A 129 4.606 0.147 -3.871 1.00 0.00 H new ATOM 2041 N THR A 130 8.085 4.661 -0.369 1.00 0.00 N ATOM 2042 CA THR A 130 9.543 4.633 -0.437 1.00 0.00 C ATOM 2043 C THR A 130 10.032 3.468 -1.290 1.00 0.00 C ATOM 2044 O THR A 130 9.370 2.437 -1.389 1.00 0.00 O ATOM 2045 CB THR A 130 10.136 4.533 0.969 1.00 0.00 C ATOM 2046 OG1 THR A 130 9.989 3.221 1.484 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.501 5.487 1.957 1.00 0.00 C ATOM 0 H THR A 130 7.681 4.017 0.311 1.00 0.00 H new ATOM 0 HA THR A 130 9.875 5.561 -0.902 1.00 0.00 H new ATOM 0 HB THR A 130 11.187 4.798 0.857 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.376 3.177 2.383 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.968 5.364 2.934 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.641 6.512 1.615 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.435 5.273 2.035 1.00 0.00 H new ATOM 2055 N TYR A 131 11.197 3.642 -1.905 1.00 0.00 N ATOM 2056 CA TYR A 131 11.777 2.606 -2.751 1.00 0.00 C ATOM 2057 C TYR A 131 13.044 2.036 -2.120 1.00 0.00 C ATOM 2058 O TYR A 131 14.068 2.713 -2.040 1.00 0.00 O ATOM 2059 CB TYR A 131 12.093 3.167 -4.139 1.00 0.00 C ATOM 2060 CG TYR A 131 13.029 4.355 -4.114 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.552 5.633 -3.854 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.388 4.197 -4.351 1.00 0.00 C ATOM 2063 CE1 TYR A 131 13.404 6.721 -3.831 1.00 0.00 C ATOM 2064 CE2 TYR A 131 15.247 5.279 -4.329 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.750 6.539 -4.069 1.00 0.00 C ATOM 2066 OH TYR A 131 15.602 7.619 -4.046 1.00 0.00 O ATOM 0 H TYR A 131 11.758 4.491 -1.833 1.00 0.00 H new ATOM 0 HA TYR A 131 11.047 1.802 -2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.536 2.379 -4.748 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.162 3.459 -4.624 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.498 5.779 -3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 131 14.780 3.212 -4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 131 13.018 7.709 -3.628 1.00 0.00 H new ATOM 0 HE2 TYR A 131 16.302 5.139 -4.514 1.00 0.00 H new ATOM 0 HH TYR A 131 16.516 7.319 -4.232 1.00 0.00 H new ATOM 2076 N LEU A 132 12.965 0.787 -1.671 1.00 0.00 N ATOM 2077 CA LEU A 132 14.104 0.126 -1.046 1.00 0.00 C ATOM 2078 C LEU A 132 14.978 -0.559 -2.092 1.00 0.00 C ATOM 2079 O LEU A 132 14.733 -0.442 -3.292 1.00 0.00 O ATOM 2080 CB LEU A 132 13.626 -0.899 -0.013 1.00 0.00 C ATOM 2081 CG LEU A 132 12.351 -0.516 0.742 1.00 0.00 C ATOM 2082 CD1 LEU A 132 12.018 -1.563 1.794 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.503 0.856 1.381 1.00 0.00 C ATOM 0 H LEU A 132 12.124 0.213 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 132 14.700 0.887 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.458 -1.850 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.424 -1.060 0.712 1.00 0.00 H new ATOM 0 HG LEU A 132 11.528 -0.474 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 132 11.109 -1.273 2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.866 -2.528 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.840 -1.638 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.587 1.113 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.338 0.841 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.693 1.599 0.606 1.00 0.00 H new ATOM 2095 N GLY A 133 15.997 -1.274 -1.627 1.00 0.00 N ATOM 2096 CA GLY A 133 16.891 -1.968 -2.536 1.00 0.00 C ATOM 2097 C GLY A 133 16.222 -3.139 -3.227 1.00 0.00 C ATOM 2098 O GLY A 133 15.993 -3.106 -4.436 1.00 0.00 O ATOM 0 H GLY A 133 16.220 -1.385 -0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.256 -1.267 -3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.760 -2.325 -1.984 1.00 0.00 H new ATOM 2102 N ASP A 134 15.909 -4.177 -2.459 1.00 0.00 N ATOM 2103 CA ASP A 134 15.263 -5.365 -3.005 1.00 0.00 C ATOM 2104 C ASP A 134 14.943 -6.367 -1.900 1.00 0.00 C ATOM 2105 O ASP A 134 15.503 -6.299 -0.806 1.00 0.00 O ATOM 2106 CB ASP A 134 16.157 -6.019 -4.059 1.00 0.00 C ATOM 2107 CG ASP A 134 15.467 -7.164 -4.774 1.00 0.00 C ATOM 2108 OD1 ASP A 134 15.393 -8.268 -4.193 1.00 0.00 O ATOM 2109 OD2 ASP A 134 15.000 -6.958 -5.913 1.00 0.00 O1- ATOM 0 H ASP A 134 16.092 -4.220 -1.456 1.00 0.00 H new ATOM 0 HA ASP A 134 14.328 -5.057 -3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 134 16.461 -5.269 -4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 134 17.066 -6.387 -3.583 1.00 0.00 H new ATOM 2114 N ALA A 135 14.041 -7.297 -2.194 1.00 0.00 N ATOM 2115 CA ALA A 135 13.647 -8.313 -1.226 1.00 0.00 C ATOM 2116 C ALA A 135 14.212 -9.678 -1.603 1.00 0.00 C ATOM 2117 O ALA A 135 13.708 -10.278 -2.577 1.00 0.00 O ATOM 2118 CB ALA A 135 12.131 -8.379 -1.118 1.00 0.00 C ATOM 2119 OXT ALA A 135 15.153 -10.136 -0.923 1.00 0.00 O ATOM 0 H ALA A 135 13.569 -7.368 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 135 14.058 -8.034 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.851 -9.142 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.747 -7.412 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.708 -8.631 -2.090 1.00 0.00 H new