USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 792 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 65 GLN : amide:sc= -17.8! C(o=-26!,f=-12!) USER MOD Set 1.2: A 66 GLN : amide:sc= -8.54! C(o=-26!,f=-12!) USER MOD Set 2.1: A 20 ASN : amide:sc= -1.04 K(o=-1.6,f=0.11) USER MOD Set 2.2: A 30 MET CE :methyl -143:sc= -0.575 (180deg=0) USER MOD Set 3.1: A 29 ASN : amide:sc= -0.0457 K(o=-11,f=-7.6) USER MOD Set 3.2: A 74 GLN : amide:sc= -10.8! C(o=-11!,f=-5.7!) USER MOD Set 4.1: A 22 HIS : no HD1:sc= -7.16! C(o=-8.3!,f=-15!) USER MOD Set 4.2: A 81 SER OG : rot 148:sc= -1.15! USER MOD Single : A 4 LYS NZ :NH3+ -161:sc= -0.867 (180deg=-1.57) USER MOD Single : A 6 ASN : amide:sc=-0.00628 X(o=-0.0063,f=-0.041) USER MOD Single : A 13 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.8!) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= -1.14 (180deg=-1.66!) USER MOD Single : A 18 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.39) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -6.76! C(o=-6.8!,f=-3.5!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -4.15! K(o=-4.2!,f=-0.34) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.0155 X(o=-0.015,f=-0.16) USER MOD Single : A 36 HIS : no HD1:sc= -1.65 X(o=-1.7,f=-1.6) USER MOD Single : A 38 GLN : amide:sc= -0.834 X(o=-0.83,f=-0.99) USER MOD Single : A 39 ASN : amide:sc= -0.706 K(o=-0.71,f=-0.17) USER MOD Single : A 45 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-6.2!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -11.7! C(o=-12!,f=-4.7!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -140:sc= 0.0487 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -4.69 K(o=-4.7,f=-1.5) USER MOD Single : A 60 MET CE :methyl 160:sc= -0.426 (180deg=-1.17) USER MOD Single : A 61 MET CE :methyl 176:sc= 0 (180deg=-0.0172) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc=-0.00876 X(o=-0.0088,f=-0.24) USER MOD Single : A 76 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.09) USER MOD Single : A 80 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.94) USER MOD Single : A 83 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-2.7!) USER MOD Single : A 84 ASN : amide:sc= -5.47! C(o=-5.5!,f=-6.9!) USER MOD Single : A 86 HIS : no HE2:sc= -1.02 X(o=-1,f=-1.1) USER MOD Single : A 88 ASN : amide:sc= -3.66! C(o=-3.7!,f=-10!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.01) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 41 N GLY A 3 1.580 -13.812 -11.419 1.00 0.00 N ATOM 42 CA GLY A 3 2.347 -12.625 -11.888 1.00 0.00 C ATOM 43 C GLY A 3 1.493 -11.371 -11.715 1.00 0.00 C ATOM 44 O GLY A 3 1.913 -10.273 -12.025 1.00 0.00 O ATOM 0 HA2 GLY A 3 3.273 -12.529 -11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.625 -12.748 -12.935 1.00 0.00 H new ATOM 48 N LYS A 4 0.296 -11.522 -11.221 1.00 0.00 N ATOM 49 CA LYS A 4 -0.581 -10.335 -11.027 1.00 0.00 C ATOM 50 C LYS A 4 -0.026 -9.477 -9.891 1.00 0.00 C ATOM 51 O LYS A 4 -0.224 -8.278 -9.854 1.00 0.00 O ATOM 52 CB LYS A 4 -1.997 -10.796 -10.674 1.00 0.00 C ATOM 53 CG LYS A 4 -2.427 -11.905 -11.637 1.00 0.00 C ATOM 54 CD LYS A 4 -3.946 -12.079 -11.575 1.00 0.00 C ATOM 55 CE LYS A 4 -4.602 -11.252 -12.682 1.00 0.00 C ATOM 56 NZ LYS A 4 -4.463 -9.803 -12.367 1.00 0.00 N ATOM 0 H LYS A 4 -0.112 -12.415 -10.944 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.611 -9.750 -11.946 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.027 -11.160 -9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.690 -9.957 -10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.121 -11.657 -12.653 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.933 -12.840 -11.374 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.207 -13.131 -11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.319 -11.763 -10.601 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.135 -11.473 -13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.656 -11.516 -12.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.160 -9.260 -12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.628 -9.651 -11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.504 -9.485 -12.613 1.00 0.00 H new ATOM 70 N LEU A 5 0.674 -10.075 -8.962 1.00 0.00 N ATOM 71 CA LEU A 5 1.237 -9.276 -7.837 1.00 0.00 C ATOM 72 C LEU A 5 1.922 -8.037 -8.408 1.00 0.00 C ATOM 73 O LEU A 5 1.564 -6.923 -8.087 1.00 0.00 O ATOM 74 CB LEU A 5 2.268 -10.099 -7.056 1.00 0.00 C ATOM 75 CG LEU A 5 1.624 -11.306 -6.345 1.00 0.00 C ATOM 76 CD1 LEU A 5 0.104 -11.147 -6.220 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.935 -12.579 -7.131 1.00 0.00 C ATOM 0 H LEU A 5 0.878 -11.074 -8.934 1.00 0.00 H new ATOM 0 HA LEU A 5 0.429 -8.992 -7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.043 -10.451 -7.737 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.757 -9.462 -6.319 1.00 0.00 H new ATOM 0 HG LEU A 5 2.040 -11.366 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.312 -12.018 -5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.122 -10.250 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.336 -11.060 -7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.481 -13.435 -6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.531 -12.492 -8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.015 -12.720 -7.183 1.00 0.00 H new ATOM 89 N ASN A 6 2.899 -8.214 -9.260 1.00 0.00 N ATOM 90 CA ASN A 6 3.578 -7.027 -9.839 1.00 0.00 C ATOM 91 C ASN A 6 2.505 -5.982 -10.141 1.00 0.00 C ATOM 92 O ASN A 6 2.718 -4.794 -10.000 1.00 0.00 O ATOM 93 CB ASN A 6 4.330 -7.434 -11.118 1.00 0.00 C ATOM 94 CG ASN A 6 3.834 -6.617 -12.313 1.00 0.00 C ATOM 95 OD1 ASN A 6 4.276 -5.506 -12.533 1.00 0.00 O ATOM 96 ND2 ASN A 6 2.925 -7.126 -13.099 1.00 0.00 N ATOM 0 H ASN A 6 3.249 -9.119 -9.574 1.00 0.00 H new ATOM 0 HA ASN A 6 4.308 -6.613 -9.143 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.400 -7.279 -10.983 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.184 -8.497 -11.311 1.00 0.00 H new ATOM 0 HD21 ASN A 6 2.585 -6.592 -13.899 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.555 -8.058 -12.914 1.00 0.00 H new ATOM 103 N ASP A 7 1.338 -6.425 -10.528 1.00 0.00 N ATOM 104 CA ASP A 7 0.238 -5.467 -10.806 1.00 0.00 C ATOM 105 C ASP A 7 -0.196 -4.856 -9.477 1.00 0.00 C ATOM 106 O ASP A 7 -0.395 -3.664 -9.361 1.00 0.00 O ATOM 107 CB ASP A 7 -0.941 -6.205 -11.441 1.00 0.00 C ATOM 108 CG ASP A 7 -1.761 -5.227 -12.283 1.00 0.00 C ATOM 109 OD1 ASP A 7 -1.218 -4.204 -12.664 1.00 0.00 O ATOM 110 OD2 ASP A 7 -2.919 -5.518 -12.533 1.00 0.00 O ATOM 0 H ASP A 7 1.103 -7.408 -10.662 1.00 0.00 H new ATOM 0 HA ASP A 7 0.574 -4.690 -11.493 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.579 -7.023 -12.064 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.567 -6.648 -10.666 1.00 0.00 H new ATOM 115 N LEU A 8 -0.314 -5.671 -8.462 1.00 0.00 N ATOM 116 CA LEU A 8 -0.704 -5.151 -7.125 1.00 0.00 C ATOM 117 C LEU A 8 0.515 -4.453 -6.523 1.00 0.00 C ATOM 118 O LEU A 8 0.470 -3.301 -6.140 1.00 0.00 O ATOM 119 CB LEU A 8 -1.111 -6.321 -6.214 1.00 0.00 C ATOM 120 CG LEU A 8 -2.627 -6.341 -5.992 1.00 0.00 C ATOM 121 CD1 LEU A 8 -3.102 -4.973 -5.504 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.334 -6.691 -7.304 1.00 0.00 C ATOM 0 H LEU A 8 -0.156 -6.678 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.543 -4.461 -7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.793 -7.263 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.600 -6.235 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.866 -7.091 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.181 -4.996 -5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.606 -4.729 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.859 -4.216 -6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.412 -6.705 -7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.089 -5.945 -8.060 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.005 -7.673 -7.644 1.00 0.00 H new ATOM 134 N LEU A 9 1.609 -5.159 -6.455 1.00 0.00 N ATOM 135 CA LEU A 9 2.859 -4.577 -5.899 1.00 0.00 C ATOM 136 C LEU A 9 3.205 -3.290 -6.651 1.00 0.00 C ATOM 137 O LEU A 9 3.218 -2.213 -6.087 1.00 0.00 O ATOM 138 CB LEU A 9 3.989 -5.591 -6.079 1.00 0.00 C ATOM 139 CG LEU A 9 5.263 -5.068 -5.421 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.250 -6.221 -5.241 1.00 0.00 C ATOM 141 CD2 LEU A 9 5.897 -3.986 -6.299 1.00 0.00 C ATOM 0 H LEU A 9 1.689 -6.127 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 9 2.725 -4.347 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.706 -6.546 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.164 -5.770 -7.140 1.00 0.00 H new ATOM 0 HG LEU A 9 5.016 -4.640 -4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.161 -5.850 -4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.802 -6.988 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.492 -6.648 -6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.806 -3.617 -5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.143 -4.407 -7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.194 -3.162 -6.426 1.00 0.00 H new ATOM 153 N GLU A 10 3.490 -3.394 -7.921 1.00 0.00 N ATOM 154 CA GLU A 10 3.840 -2.180 -8.711 1.00 0.00 C ATOM 155 C GLU A 10 2.774 -1.103 -8.499 1.00 0.00 C ATOM 156 O GLU A 10 3.080 0.048 -8.265 1.00 0.00 O ATOM 157 CB GLU A 10 3.911 -2.545 -10.195 1.00 0.00 C ATOM 158 CG GLU A 10 4.623 -1.430 -10.964 1.00 0.00 C ATOM 159 CD GLU A 10 4.152 -1.433 -12.419 1.00 0.00 C ATOM 160 OE1 GLU A 10 2.958 -1.308 -12.634 1.00 0.00 O ATOM 161 OE2 GLU A 10 4.995 -1.558 -13.293 1.00 0.00 O ATOM 0 H GLU A 10 3.495 -4.269 -8.446 1.00 0.00 H new ATOM 0 HA GLU A 10 4.807 -1.798 -8.382 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.444 -3.487 -10.323 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.907 -2.691 -10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.412 -0.464 -10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.702 -1.575 -10.920 1.00 0.00 H new ATOM 168 N ASP A 11 1.523 -1.463 -8.579 1.00 0.00 N ATOM 169 CA ASP A 11 0.449 -0.450 -8.379 1.00 0.00 C ATOM 170 C ASP A 11 0.564 0.145 -6.974 1.00 0.00 C ATOM 171 O ASP A 11 0.471 1.341 -6.788 1.00 0.00 O ATOM 172 CB ASP A 11 -0.920 -1.115 -8.538 1.00 0.00 C ATOM 173 CG ASP A 11 -1.179 -1.412 -10.016 1.00 0.00 C ATOM 174 OD1 ASP A 11 -0.561 -0.766 -10.847 1.00 0.00 O ATOM 175 OD2 ASP A 11 -1.993 -2.277 -10.292 1.00 0.00 O ATOM 0 H ASP A 11 1.199 -2.410 -8.773 1.00 0.00 H new ATOM 0 HA ASP A 11 0.557 0.341 -9.121 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.956 -2.038 -7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.700 -0.462 -8.146 1.00 0.00 H new ATOM 180 N LEU A 12 0.764 -0.679 -5.983 1.00 0.00 N ATOM 181 CA LEU A 12 0.880 -0.152 -4.593 1.00 0.00 C ATOM 182 C LEU A 12 2.051 0.829 -4.507 1.00 0.00 C ATOM 183 O LEU A 12 1.893 1.966 -4.110 1.00 0.00 O ATOM 184 CB LEU A 12 1.122 -1.311 -3.623 1.00 0.00 C ATOM 185 CG LEU A 12 1.418 -0.756 -2.228 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.362 0.283 -1.851 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.387 -1.892 -1.207 1.00 0.00 C ATOM 0 H LEU A 12 0.852 -1.691 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.044 0.361 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.247 -1.960 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.957 -1.920 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 12 2.404 -0.291 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.576 0.676 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.379 1.098 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.623 -0.183 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.598 -1.495 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.401 -2.357 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.140 -2.636 -1.468 1.00 0.00 H new ATOM 199 N GLN A 13 3.229 0.401 -4.869 1.00 0.00 N ATOM 200 CA GLN A 13 4.401 1.318 -4.798 1.00 0.00 C ATOM 201 C GLN A 13 4.161 2.523 -5.711 1.00 0.00 C ATOM 202 O GLN A 13 4.713 3.586 -5.507 1.00 0.00 O ATOM 203 CB GLN A 13 5.665 0.570 -5.236 1.00 0.00 C ATOM 204 CG GLN A 13 5.893 0.764 -6.736 1.00 0.00 C ATOM 205 CD GLN A 13 6.998 -0.183 -7.204 1.00 0.00 C ATOM 206 OE1 GLN A 13 6.823 -0.918 -8.155 1.00 0.00 O ATOM 207 NE2 GLN A 13 8.137 -0.197 -6.567 1.00 0.00 N ATOM 0 H GLN A 13 3.430 -0.539 -5.209 1.00 0.00 H new ATOM 0 HA GLN A 13 4.532 1.667 -3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.527 0.937 -4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.567 -0.492 -5.009 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.972 0.566 -7.284 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.172 1.797 -6.943 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.282 0.421 -5.769 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.882 -0.826 -6.868 1.00 0.00 H new ATOM 216 N GLU A 14 3.330 2.373 -6.707 1.00 0.00 N ATOM 217 CA GLU A 14 3.049 3.519 -7.616 1.00 0.00 C ATOM 218 C GLU A 14 2.264 4.572 -6.838 1.00 0.00 C ATOM 219 O GLU A 14 2.724 5.675 -6.632 1.00 0.00 O ATOM 220 CB GLU A 14 2.223 3.045 -8.810 1.00 0.00 C ATOM 221 CG GLU A 14 3.137 2.355 -9.825 1.00 0.00 C ATOM 222 CD GLU A 14 3.776 3.409 -10.731 1.00 0.00 C ATOM 223 OE1 GLU A 14 3.037 4.178 -11.323 1.00 0.00 O ATOM 224 OE2 GLU A 14 4.992 3.430 -10.816 1.00 0.00 O ATOM 0 H GLU A 14 2.835 1.509 -6.929 1.00 0.00 H new ATOM 0 HA GLU A 14 3.985 3.940 -7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.447 2.356 -8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.719 3.892 -9.276 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.910 1.787 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.565 1.645 -10.422 1.00 0.00 H new ATOM 231 N VAL A 15 1.086 4.234 -6.386 1.00 0.00 N ATOM 232 CA VAL A 15 0.297 5.218 -5.604 1.00 0.00 C ATOM 233 C VAL A 15 1.236 5.859 -4.580 1.00 0.00 C ATOM 234 O VAL A 15 1.170 7.040 -4.305 1.00 0.00 O ATOM 235 CB VAL A 15 -0.868 4.499 -4.901 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.912 3.039 -5.349 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.691 4.550 -3.380 1.00 0.00 C ATOM 0 H VAL A 15 0.642 3.326 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.123 5.987 -6.252 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.798 5.001 -5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.737 2.530 -4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.057 2.994 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.026 2.550 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.524 4.037 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.244 4.061 -3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.667 5.589 -3.051 1.00 0.00 H new ATOM 247 N LEU A 16 2.123 5.076 -4.025 1.00 0.00 N ATOM 248 CA LEU A 16 3.088 5.620 -3.033 1.00 0.00 C ATOM 249 C LEU A 16 3.973 6.654 -3.731 1.00 0.00 C ATOM 250 O LEU A 16 4.462 7.583 -3.120 1.00 0.00 O ATOM 251 CB LEU A 16 3.947 4.474 -2.486 1.00 0.00 C ATOM 252 CG LEU A 16 5.181 5.033 -1.770 1.00 0.00 C ATOM 253 CD1 LEU A 16 4.740 5.908 -0.595 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.029 3.871 -1.250 1.00 0.00 C ATOM 0 H LEU A 16 2.219 4.079 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 16 2.559 6.092 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.361 3.868 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.256 3.820 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 16 5.767 5.633 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.619 6.305 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.131 6.733 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.155 5.310 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.909 4.263 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.440 3.274 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.343 3.247 -2.087 1.00 0.00 H new ATOM 266 N LYS A 17 4.173 6.498 -5.013 1.00 0.00 N ATOM 267 CA LYS A 17 5.016 7.472 -5.762 1.00 0.00 C ATOM 268 C LYS A 17 4.198 8.735 -6.039 1.00 0.00 C ATOM 269 O LYS A 17 4.605 9.833 -5.715 1.00 0.00 O ATOM 270 CB LYS A 17 5.462 6.853 -7.088 1.00 0.00 C ATOM 271 CG LYS A 17 6.890 7.298 -7.404 1.00 0.00 C ATOM 272 CD LYS A 17 7.879 6.284 -6.826 1.00 0.00 C ATOM 273 CE LYS A 17 9.274 6.552 -7.391 1.00 0.00 C ATOM 274 NZ LYS A 17 9.284 7.870 -8.086 1.00 0.00 N ATOM 0 H LYS A 17 3.788 5.737 -5.573 1.00 0.00 H new ATOM 0 HA LYS A 17 5.895 7.725 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.413 5.766 -7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.789 7.159 -7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.026 7.381 -8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.077 8.285 -6.982 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.896 6.356 -5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.563 5.271 -7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.011 6.547 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.555 5.760 -8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.265 8.147 -8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.751 7.797 -8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.842 8.587 -7.476 1.00 0.00 H new ATOM 288 N HIS A 18 3.044 8.588 -6.631 1.00 0.00 N ATOM 289 CA HIS A 18 2.198 9.779 -6.922 1.00 0.00 C ATOM 290 C HIS A 18 1.770 10.421 -5.600 1.00 0.00 C ATOM 291 O HIS A 18 1.044 11.395 -5.575 1.00 0.00 O ATOM 292 CB HIS A 18 0.957 9.349 -7.704 1.00 0.00 C ATOM 293 CG HIS A 18 1.215 9.496 -9.178 1.00 0.00 C ATOM 294 ND1 HIS A 18 1.609 10.701 -9.744 1.00 0.00 N ATOM 295 CD2 HIS A 18 1.132 8.603 -10.217 1.00 0.00 C ATOM 296 CE1 HIS A 18 1.746 10.501 -11.068 1.00 0.00 C ATOM 297 NE2 HIS A 18 1.468 9.241 -11.405 1.00 0.00 N ATOM 0 H HIS A 18 2.651 7.694 -6.926 1.00 0.00 H new ATOM 0 HA HIS A 18 2.765 10.496 -7.515 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.707 8.314 -7.469 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.101 9.958 -7.412 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.849 7.565 -10.125 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.044 11.266 -11.770 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.496 8.831 -12.339 1.00 0.00 H new ATOM 306 N VAL A 19 2.213 9.872 -4.502 1.00 0.00 N ATOM 307 CA VAL A 19 1.835 10.437 -3.177 1.00 0.00 C ATOM 308 C VAL A 19 3.054 11.120 -2.548 1.00 0.00 C ATOM 309 O VAL A 19 2.927 12.028 -1.751 1.00 0.00 O ATOM 310 CB VAL A 19 1.359 9.301 -2.265 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.598 9.678 -0.802 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.136 9.048 -2.486 1.00 0.00 C ATOM 0 H VAL A 19 2.822 9.054 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 19 1.036 11.167 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 19 1.918 8.397 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.258 8.868 -0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.662 9.849 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.044 10.587 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.468 8.239 -1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.696 9.954 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.308 8.771 -3.526 1.00 0.00 H new ATOM 322 N ASN A 20 4.233 10.688 -2.898 1.00 0.00 N ATOM 323 CA ASN A 20 5.457 11.306 -2.317 1.00 0.00 C ATOM 324 C ASN A 20 5.516 12.790 -2.689 1.00 0.00 C ATOM 325 O ASN A 20 5.906 13.623 -1.895 1.00 0.00 O ATOM 326 CB ASN A 20 6.696 10.595 -2.864 1.00 0.00 C ATOM 327 CG ASN A 20 7.105 9.477 -1.903 1.00 0.00 C ATOM 328 OD1 ASN A 20 6.489 8.430 -1.874 1.00 0.00 O ATOM 329 ND2 ASN A 20 8.125 9.657 -1.109 1.00 0.00 N ATOM 0 H ASN A 20 4.402 9.933 -3.562 1.00 0.00 H new ATOM 0 HA ASN A 20 5.428 11.208 -1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.486 10.183 -3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.514 11.305 -2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.405 8.919 -0.464 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.642 10.536 -1.134 1.00 0.00 H new ATOM 336 N GLN A 21 5.135 13.129 -3.891 1.00 0.00 N ATOM 337 CA GLN A 21 5.176 14.560 -4.310 1.00 0.00 C ATOM 338 C GLN A 21 3.836 15.227 -3.996 1.00 0.00 C ATOM 339 O GLN A 21 3.691 16.429 -4.105 1.00 0.00 O ATOM 340 CB GLN A 21 5.444 14.639 -5.814 1.00 0.00 C ATOM 341 CG GLN A 21 6.886 14.216 -6.102 1.00 0.00 C ATOM 342 CD GLN A 21 6.893 13.119 -7.168 1.00 0.00 C ATOM 343 OE1 GLN A 21 7.332 12.015 -6.918 1.00 0.00 O ATOM 344 NE2 GLN A 21 6.418 13.380 -8.356 1.00 0.00 N ATOM 0 H GLN A 21 4.798 12.478 -4.600 1.00 0.00 H new ATOM 0 HA GLN A 21 5.970 15.074 -3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.751 13.992 -6.352 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.274 15.655 -6.171 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.466 15.073 -6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.359 13.854 -5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.049 14.308 -8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.416 12.656 -9.075 1.00 0.00 H new ATOM 353 N HIS A 22 2.854 14.460 -3.611 1.00 0.00 N ATOM 354 CA HIS A 22 1.524 15.053 -3.295 1.00 0.00 C ATOM 355 C HIS A 22 1.263 14.954 -1.791 1.00 0.00 C ATOM 356 O HIS A 22 0.158 15.162 -1.330 1.00 0.00 O ATOM 357 CB HIS A 22 0.434 14.287 -4.048 1.00 0.00 C ATOM 358 CG HIS A 22 0.433 14.705 -5.493 1.00 0.00 C ATOM 359 ND1 HIS A 22 -0.313 15.781 -5.952 1.00 0.00 N ATOM 360 CD2 HIS A 22 1.079 14.199 -6.594 1.00 0.00 C ATOM 361 CE1 HIS A 22 -0.101 15.886 -7.277 1.00 0.00 C ATOM 362 NE2 HIS A 22 0.738 14.946 -7.715 1.00 0.00 N ATOM 0 H HIS A 22 2.915 13.448 -3.501 1.00 0.00 H new ATOM 0 HA HIS A 22 1.513 16.100 -3.598 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.608 13.214 -3.969 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.540 14.485 -3.600 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.749 13.352 -6.589 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.554 16.637 -7.907 1.00 0.00 H new ATOM 0 HE2 HIS A 22 1.061 14.805 -8.672 1.00 0.00 H new ATOM 371 N TRP A 23 2.267 14.638 -1.019 1.00 0.00 N ATOM 372 CA TRP A 23 2.061 14.527 0.449 1.00 0.00 C ATOM 373 C TRP A 23 1.844 15.916 1.042 1.00 0.00 C ATOM 374 O TRP A 23 2.482 16.875 0.658 1.00 0.00 O ATOM 375 CB TRP A 23 3.283 13.889 1.099 1.00 0.00 C ATOM 376 CG TRP A 23 2.902 13.401 2.457 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.793 14.175 3.558 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.566 12.051 2.871 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.415 13.380 4.626 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.266 12.061 4.251 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.499 10.831 2.186 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.907 10.895 4.930 1.00 0.00 C ATOM 383 CZ3 TRP A 23 2.139 9.654 2.862 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.845 9.686 4.232 1.00 0.00 C ATOM 0 H TRP A 23 3.217 14.453 -1.342 1.00 0.00 H new ATOM 0 HA TRP A 23 1.186 13.906 0.638 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.647 13.063 0.489 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.094 14.614 1.172 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.971 15.239 3.599 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.265 13.727 5.573 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.726 10.795 1.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.679 10.927 5.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 2.088 8.719 2.323 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.571 8.777 4.748 1.00 0.00 H new ATOM 395 N GLN A 24 0.947 16.027 1.980 1.00 0.00 N ATOM 396 CA GLN A 24 0.688 17.355 2.604 1.00 0.00 C ATOM 397 C GLN A 24 0.184 17.160 4.036 1.00 0.00 C ATOM 398 O GLN A 24 -0.407 16.151 4.365 1.00 0.00 O ATOM 399 CB GLN A 24 -0.367 18.107 1.787 1.00 0.00 C ATOM 400 CG GLN A 24 0.323 19.147 0.903 1.00 0.00 C ATOM 401 CD GLN A 24 -0.628 19.581 -0.215 1.00 0.00 C ATOM 402 OE1 GLN A 24 -0.824 18.864 -1.175 1.00 0.00 O ATOM 403 NE2 GLN A 24 -1.230 20.736 -0.128 1.00 0.00 N ATOM 0 H GLN A 24 0.383 15.258 2.342 1.00 0.00 H new ATOM 0 HA GLN A 24 1.612 17.933 2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.933 17.408 1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.079 18.594 2.453 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.616 20.010 1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.235 18.729 0.477 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.065 21.338 0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.866 21.037 -0.867 1.00 0.00 H new ATOM 412 N GLY A 25 0.407 18.122 4.890 1.00 0.00 N ATOM 413 CA GLY A 25 -0.066 17.994 6.297 1.00 0.00 C ATOM 414 C GLY A 25 0.990 17.275 7.139 1.00 0.00 C ATOM 415 O GLY A 25 0.700 16.316 7.826 1.00 0.00 O ATOM 0 H GLY A 25 0.896 18.991 4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.265 18.981 6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.005 17.441 6.325 1.00 0.00 H new ATOM 419 N GLY A 26 2.210 17.733 7.098 1.00 0.00 N ATOM 420 CA GLY A 26 3.277 17.075 7.904 1.00 0.00 C ATOM 421 C GLY A 26 4.258 16.357 6.974 1.00 0.00 C ATOM 422 O GLY A 26 4.089 15.197 6.656 1.00 0.00 O ATOM 0 H GLY A 26 2.514 18.533 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.805 17.818 8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.833 16.363 8.600 1.00 0.00 H new ATOM 426 N GLN A 27 5.282 17.038 6.537 1.00 0.00 N ATOM 427 CA GLN A 27 6.273 16.393 5.630 1.00 0.00 C ATOM 428 C GLN A 27 7.149 15.431 6.436 1.00 0.00 C ATOM 429 O GLN A 27 8.125 14.905 5.941 1.00 0.00 O ATOM 430 CB GLN A 27 7.150 17.468 4.989 1.00 0.00 C ATOM 431 CG GLN A 27 8.127 16.815 4.010 1.00 0.00 C ATOM 432 CD GLN A 27 8.302 17.714 2.783 1.00 0.00 C ATOM 433 OE1 GLN A 27 7.814 17.404 1.715 1.00 0.00 O ATOM 434 NE2 GLN A 27 8.982 18.823 2.891 1.00 0.00 N ATOM 0 H GLN A 27 5.475 18.012 6.769 1.00 0.00 H new ATOM 0 HA GLN A 27 5.749 15.840 4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.528 18.196 4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.699 18.011 5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.090 16.653 4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.754 15.837 3.706 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.392 19.084 3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.103 19.428 2.079 1.00 0.00 H new ATOM 443 N LYS A 28 6.808 15.198 7.673 1.00 0.00 N ATOM 444 CA LYS A 28 7.621 14.270 8.510 1.00 0.00 C ATOM 445 C LYS A 28 7.087 12.845 8.352 1.00 0.00 C ATOM 446 O LYS A 28 7.820 11.882 8.457 1.00 0.00 O ATOM 447 CB LYS A 28 7.530 14.692 9.978 1.00 0.00 C ATOM 448 CG LYS A 28 6.078 15.030 10.325 1.00 0.00 C ATOM 449 CD LYS A 28 5.957 15.268 11.833 1.00 0.00 C ATOM 450 CE LYS A 28 4.617 15.940 12.146 1.00 0.00 C ATOM 451 NZ LYS A 28 4.797 16.902 13.270 1.00 0.00 N ATOM 0 H LYS A 28 6.001 15.610 8.141 1.00 0.00 H new ATOM 0 HA LYS A 28 8.662 14.306 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.891 13.889 10.621 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.169 15.557 10.159 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.759 15.918 9.779 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.421 14.216 10.020 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.033 14.321 12.367 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.779 15.896 12.179 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.243 16.460 11.264 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.874 15.188 12.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.888 17.360 13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.135 16.393 14.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.493 17.625 13.000 1.00 0.00 H new ATOM 465 N ASN A 29 5.816 12.705 8.099 1.00 0.00 N ATOM 466 CA ASN A 29 5.235 11.344 7.934 1.00 0.00 C ATOM 467 C ASN A 29 5.838 10.681 6.693 1.00 0.00 C ATOM 468 O ASN A 29 6.195 9.519 6.710 1.00 0.00 O ATOM 469 CB ASN A 29 3.718 11.454 7.770 1.00 0.00 C ATOM 470 CG ASN A 29 3.148 12.337 8.881 1.00 0.00 C ATOM 471 OD1 ASN A 29 2.889 13.506 8.673 1.00 0.00 O ATOM 472 ND2 ASN A 29 2.940 11.824 10.063 1.00 0.00 N ATOM 0 H ASN A 29 5.154 13.475 7.999 1.00 0.00 H new ATOM 0 HA ASN A 29 5.461 10.741 8.814 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.477 11.877 6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.264 10.464 7.809 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.560 12.404 10.811 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.157 10.843 10.239 1.00 0.00 H new ATOM 479 N MET A 30 5.955 11.410 5.615 1.00 0.00 N ATOM 480 CA MET A 30 6.538 10.820 4.375 1.00 0.00 C ATOM 481 C MET A 30 7.757 9.972 4.742 1.00 0.00 C ATOM 482 O MET A 30 8.142 9.073 4.019 1.00 0.00 O ATOM 483 CB MET A 30 6.966 11.942 3.428 1.00 0.00 C ATOM 484 CG MET A 30 7.101 11.387 2.008 1.00 0.00 C ATOM 485 SD MET A 30 5.454 11.124 1.305 1.00 0.00 S ATOM 486 CE MET A 30 5.605 9.342 1.033 1.00 0.00 C ATOM 0 H MET A 30 5.672 12.387 5.540 1.00 0.00 H new ATOM 0 HA MET A 30 5.792 10.195 3.884 1.00 0.00 H new ATOM 0 HB2 MET A 30 6.232 12.748 3.447 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.915 12.367 3.756 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.667 12.081 1.387 1.00 0.00 H new ATOM 0 HG3 MET A 30 7.656 10.449 2.024 1.00 0.00 H new ATOM 0 HE1 MET A 30 5.099 9.071 0.106 1.00 0.00 H new ATOM 0 HE2 MET A 30 6.659 9.073 0.963 1.00 0.00 H new ATOM 0 HE3 MET A 30 5.148 8.807 1.866 1.00 0.00 H new ATOM 496 N ASN A 31 8.370 10.253 5.859 1.00 0.00 N ATOM 497 CA ASN A 31 9.566 9.468 6.275 1.00 0.00 C ATOM 498 C ASN A 31 9.127 8.286 7.143 1.00 0.00 C ATOM 499 O ASN A 31 9.604 7.180 6.988 1.00 0.00 O ATOM 500 CB ASN A 31 10.512 10.366 7.076 1.00 0.00 C ATOM 501 CG ASN A 31 11.079 11.455 6.164 1.00 0.00 C ATOM 502 OD1 ASN A 31 12.056 12.095 6.497 1.00 0.00 O ATOM 503 ND2 ASN A 31 10.502 11.695 5.017 1.00 0.00 N ATOM 0 H ASN A 31 8.093 10.994 6.503 1.00 0.00 H new ATOM 0 HA ASN A 31 10.081 9.095 5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.979 10.819 7.912 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.323 9.772 7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.872 12.419 4.402 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.681 11.158 4.737 1.00 0.00 H new ATOM 510 N LYS A 32 8.222 8.511 8.057 1.00 0.00 N ATOM 511 CA LYS A 32 7.755 7.399 8.932 1.00 0.00 C ATOM 512 C LYS A 32 6.826 6.481 8.136 1.00 0.00 C ATOM 513 O LYS A 32 6.713 5.304 8.414 1.00 0.00 O ATOM 514 CB LYS A 32 6.998 7.976 10.131 1.00 0.00 C ATOM 515 CG LYS A 32 7.586 9.340 10.496 1.00 0.00 C ATOM 516 CD LYS A 32 6.910 9.866 11.765 1.00 0.00 C ATOM 517 CE LYS A 32 7.144 11.373 11.877 1.00 0.00 C ATOM 518 NZ LYS A 32 8.553 11.626 12.293 1.00 0.00 N ATOM 0 H LYS A 32 7.787 9.416 8.235 1.00 0.00 H new ATOM 0 HA LYS A 32 8.614 6.829 9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.939 8.076 9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.070 7.298 10.981 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.661 9.254 10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.439 10.042 9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.841 9.654 11.736 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.312 9.358 12.642 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.944 11.855 10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.456 11.806 12.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.714 12.651 12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.728 11.178 13.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.201 11.226 11.585 1.00 0.00 H new ATOM 532 N VAL A 33 6.163 7.008 7.143 1.00 0.00 N ATOM 533 CA VAL A 33 5.246 6.160 6.331 1.00 0.00 C ATOM 534 C VAL A 33 6.062 5.391 5.292 1.00 0.00 C ATOM 535 O VAL A 33 5.950 4.188 5.170 1.00 0.00 O ATOM 536 CB VAL A 33 4.220 7.046 5.623 1.00 0.00 C ATOM 537 CG1 VAL A 33 3.576 7.993 6.640 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.918 7.863 4.535 1.00 0.00 C ATOM 0 H VAL A 33 6.217 7.986 6.860 1.00 0.00 H new ATOM 0 HA VAL A 33 4.725 5.457 6.981 1.00 0.00 H new ATOM 0 HB VAL A 33 3.450 6.421 5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.845 8.625 6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.079 7.410 7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.345 8.619 7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.188 8.495 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.688 8.488 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.377 7.189 3.812 1.00 0.00 H new ATOM 548 N ASP A 34 6.889 6.071 4.546 1.00 0.00 N ATOM 549 CA ASP A 34 7.714 5.367 3.527 1.00 0.00 C ATOM 550 C ASP A 34 8.191 4.039 4.113 1.00 0.00 C ATOM 551 O ASP A 34 8.359 3.060 3.413 1.00 0.00 O ATOM 552 CB ASP A 34 8.922 6.233 3.161 1.00 0.00 C ATOM 553 CG ASP A 34 9.715 5.558 2.040 1.00 0.00 C ATOM 554 OD1 ASP A 34 9.126 4.777 1.310 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.898 5.836 1.929 1.00 0.00 O ATOM 0 H ASP A 34 7.028 7.080 4.598 1.00 0.00 H new ATOM 0 HA ASP A 34 7.122 5.184 2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.591 7.221 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.558 6.377 4.035 1.00 0.00 H new ATOM 560 N HIS A 35 8.398 3.997 5.401 1.00 0.00 N ATOM 561 CA HIS A 35 8.850 2.734 6.047 1.00 0.00 C ATOM 562 C HIS A 35 7.642 1.818 6.239 1.00 0.00 C ATOM 563 O HIS A 35 7.752 0.609 6.196 1.00 0.00 O ATOM 564 CB HIS A 35 9.472 3.053 7.408 1.00 0.00 C ATOM 565 CG HIS A 35 10.418 1.951 7.802 1.00 0.00 C ATOM 566 ND1 HIS A 35 11.597 1.704 7.110 1.00 0.00 N ATOM 567 CD2 HIS A 35 10.379 1.028 8.819 1.00 0.00 C ATOM 568 CE1 HIS A 35 12.212 0.670 7.716 1.00 0.00 C ATOM 569 NE2 HIS A 35 11.511 0.224 8.759 1.00 0.00 N ATOM 0 H HIS A 35 8.273 4.786 6.035 1.00 0.00 H new ATOM 0 HA HIS A 35 9.592 2.240 5.420 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.004 4.003 7.362 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.690 3.161 8.160 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.590 0.941 9.552 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.156 0.254 7.397 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.755 -0.546 9.382 1.00 0.00 H new ATOM 578 N HIS A 36 6.488 2.390 6.443 1.00 0.00 N ATOM 579 CA HIS A 36 5.264 1.564 6.633 1.00 0.00 C ATOM 580 C HIS A 36 4.986 0.775 5.351 1.00 0.00 C ATOM 581 O HIS A 36 4.705 -0.406 5.385 1.00 0.00 O ATOM 582 CB HIS A 36 4.076 2.478 6.936 1.00 0.00 C ATOM 583 CG HIS A 36 4.127 2.906 8.378 1.00 0.00 C ATOM 584 ND1 HIS A 36 3.094 3.616 8.974 1.00 0.00 N ATOM 585 CD2 HIS A 36 5.076 2.732 9.356 1.00 0.00 C ATOM 586 CE1 HIS A 36 3.442 3.843 10.255 1.00 0.00 C ATOM 587 NE2 HIS A 36 4.640 3.324 10.536 1.00 0.00 N ATOM 0 H HIS A 36 6.340 3.398 6.486 1.00 0.00 H new ATOM 0 HA HIS A 36 5.412 0.874 7.464 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.101 3.352 6.285 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.141 1.956 6.733 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.016 2.215 9.228 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.829 4.378 10.966 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.132 3.355 11.429 1.00 0.00 H new ATOM 596 N LEU A 37 5.069 1.421 4.219 1.00 0.00 N ATOM 597 CA LEU A 37 4.816 0.708 2.936 1.00 0.00 C ATOM 598 C LEU A 37 6.044 -0.130 2.579 1.00 0.00 C ATOM 599 O LEU A 37 5.949 -1.320 2.351 1.00 0.00 O ATOM 600 CB LEU A 37 4.553 1.727 1.827 1.00 0.00 C ATOM 601 CG LEU A 37 3.045 1.922 1.660 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.770 3.333 1.150 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.503 0.905 0.654 1.00 0.00 C ATOM 0 H LEU A 37 5.301 2.410 4.128 1.00 0.00 H new ATOM 0 HA LEU A 37 3.946 0.060 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.028 2.677 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.992 1.383 0.891 1.00 0.00 H new ATOM 0 HG LEU A 37 2.553 1.777 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.696 3.474 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.154 4.060 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.264 3.475 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.429 1.046 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.995 1.048 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.699 -0.104 1.016 1.00 0.00 H new ATOM 615 N GLN A 38 7.199 0.478 2.536 1.00 0.00 N ATOM 616 CA GLN A 38 8.426 -0.295 2.202 1.00 0.00 C ATOM 617 C GLN A 38 8.339 -1.666 2.873 1.00 0.00 C ATOM 618 O GLN A 38 8.894 -2.639 2.403 1.00 0.00 O ATOM 619 CB GLN A 38 9.661 0.452 2.714 1.00 0.00 C ATOM 620 CG GLN A 38 10.237 1.318 1.590 1.00 0.00 C ATOM 621 CD GLN A 38 11.418 2.130 2.124 1.00 0.00 C ATOM 622 OE1 GLN A 38 11.654 3.240 1.690 1.00 0.00 O ATOM 623 NE2 GLN A 38 12.177 1.620 3.055 1.00 0.00 N ATOM 0 H GLN A 38 7.344 1.471 2.717 1.00 0.00 H new ATOM 0 HA GLN A 38 8.507 -0.415 1.122 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.394 1.075 3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.411 -0.259 3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.560 0.688 0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.469 1.986 1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.980 0.688 3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.967 2.153 3.418 1.00 0.00 H new ATOM 632 N ASN A 39 7.632 -1.748 3.968 1.00 0.00 N ATOM 633 CA ASN A 39 7.489 -3.053 4.672 1.00 0.00 C ATOM 634 C ASN A 39 6.422 -3.886 3.963 1.00 0.00 C ATOM 635 O ASN A 39 6.541 -5.088 3.832 1.00 0.00 O ATOM 636 CB ASN A 39 7.066 -2.806 6.123 1.00 0.00 C ATOM 637 CG ASN A 39 7.777 -3.805 7.039 1.00 0.00 C ATOM 638 OD1 ASN A 39 7.161 -4.402 7.899 1.00 0.00 O ATOM 639 ND2 ASN A 39 9.056 -4.013 6.889 1.00 0.00 N ATOM 0 H ASN A 39 7.147 -0.965 4.406 1.00 0.00 H new ATOM 0 HA ASN A 39 8.440 -3.586 4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.315 -1.786 6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.986 -2.912 6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.539 -4.677 7.494 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.573 -3.512 6.167 1.00 0.00 H new ATOM 646 N VAL A 40 5.381 -3.252 3.492 1.00 0.00 N ATOM 647 CA VAL A 40 4.311 -4.004 2.781 1.00 0.00 C ATOM 648 C VAL A 40 4.802 -4.348 1.376 1.00 0.00 C ATOM 649 O VAL A 40 5.069 -5.491 1.067 1.00 0.00 O ATOM 650 CB VAL A 40 3.051 -3.142 2.689 1.00 0.00 C ATOM 651 CG1 VAL A 40 1.909 -3.969 2.090 1.00 0.00 C ATOM 652 CG2 VAL A 40 2.658 -2.667 4.090 1.00 0.00 C ATOM 0 H VAL A 40 5.227 -2.247 3.570 1.00 0.00 H new ATOM 0 HA VAL A 40 4.076 -4.919 3.326 1.00 0.00 H new ATOM 0 HB VAL A 40 3.245 -2.279 2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.011 -3.355 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.190 -4.309 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.713 -4.832 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.760 -2.052 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.463 -3.531 4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.471 -2.079 4.516 1.00 0.00 H new ATOM 662 N ILE A 41 4.930 -3.365 0.524 1.00 0.00 N ATOM 663 CA ILE A 41 5.414 -3.637 -0.861 1.00 0.00 C ATOM 664 C ILE A 41 6.414 -4.796 -0.834 1.00 0.00 C ATOM 665 O ILE A 41 6.538 -5.544 -1.783 1.00 0.00 O ATOM 666 CB ILE A 41 6.100 -2.390 -1.421 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.345 -1.139 -0.954 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.099 -2.457 -2.951 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.423 -0.052 -2.029 1.00 0.00 C ATOM 0 H ILE A 41 4.721 -2.388 0.727 1.00 0.00 H new ATOM 0 HA ILE A 41 4.566 -3.899 -1.493 1.00 0.00 H new ATOM 0 HB ILE A 41 7.128 -2.342 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.303 -1.387 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.774 -0.772 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.587 -1.570 -3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.637 -3.347 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.072 -2.502 -3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.885 0.833 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.466 0.205 -2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.973 -0.420 -2.951 1.00 0.00 H new ATOM 681 N GLU A 42 7.127 -4.953 0.250 1.00 0.00 N ATOM 682 CA GLU A 42 8.115 -6.065 0.340 1.00 0.00 C ATOM 683 C GLU A 42 7.377 -7.377 0.618 1.00 0.00 C ATOM 684 O GLU A 42 7.741 -8.423 0.117 1.00 0.00 O ATOM 685 CB GLU A 42 9.102 -5.784 1.475 1.00 0.00 C ATOM 686 CG GLU A 42 10.535 -5.936 0.961 1.00 0.00 C ATOM 687 CD GLU A 42 10.906 -4.721 0.109 1.00 0.00 C ATOM 688 OE1 GLU A 42 10.099 -3.809 0.029 1.00 0.00 O ATOM 689 OE2 GLU A 42 11.992 -4.721 -0.447 1.00 0.00 O ATOM 0 H GLU A 42 7.067 -4.358 1.077 1.00 0.00 H new ATOM 0 HA GLU A 42 8.660 -6.144 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.949 -4.777 1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.927 -6.473 2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.225 -6.029 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.626 -6.848 0.371 1.00 0.00 H new ATOM 696 N ASP A 43 6.340 -7.331 1.409 1.00 0.00 N ATOM 697 CA ASP A 43 5.581 -8.578 1.710 1.00 0.00 C ATOM 698 C ASP A 43 4.910 -9.074 0.430 1.00 0.00 C ATOM 699 O ASP A 43 4.744 -10.259 0.223 1.00 0.00 O ATOM 700 CB ASP A 43 4.518 -8.288 2.771 1.00 0.00 C ATOM 701 CG ASP A 43 3.933 -9.605 3.282 1.00 0.00 C ATOM 702 OD1 ASP A 43 4.600 -10.262 4.065 1.00 0.00 O ATOM 703 OD2 ASP A 43 2.828 -9.935 2.883 1.00 0.00 O ATOM 0 H ASP A 43 5.986 -6.487 1.859 1.00 0.00 H new ATOM 0 HA ASP A 43 6.261 -9.342 2.087 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.957 -7.728 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.728 -7.667 2.349 1.00 0.00 H new ATOM 708 N ILE A 44 4.535 -8.174 -0.437 1.00 0.00 N ATOM 709 CA ILE A 44 3.887 -8.594 -1.710 1.00 0.00 C ATOM 710 C ILE A 44 4.928 -9.290 -2.587 1.00 0.00 C ATOM 711 O ILE A 44 4.688 -10.347 -3.135 1.00 0.00 O ATOM 712 CB ILE A 44 3.342 -7.364 -2.436 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.602 -6.474 -1.438 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.376 -7.807 -3.537 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.176 -5.179 -2.130 1.00 0.00 C ATOM 0 H ILE A 44 4.649 -7.167 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 44 3.064 -9.278 -1.500 1.00 0.00 H new ATOM 0 HB ILE A 44 4.167 -6.808 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.728 -6.995 -1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.245 -6.250 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.987 -6.930 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.902 -8.444 -4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.550 -8.363 -3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.648 -4.543 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.059 -4.656 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.517 -5.413 -2.966 1.00 0.00 H new ATOM 727 N HIS A 45 6.089 -8.708 -2.713 1.00 0.00 N ATOM 728 CA HIS A 45 7.150 -9.343 -3.541 1.00 0.00 C ATOM 729 C HIS A 45 7.389 -10.763 -3.025 1.00 0.00 C ATOM 730 O HIS A 45 7.770 -11.649 -3.763 1.00 0.00 O ATOM 731 CB HIS A 45 8.443 -8.528 -3.429 1.00 0.00 C ATOM 732 CG HIS A 45 8.815 -7.979 -4.780 1.00 0.00 C ATOM 733 ND1 HIS A 45 8.508 -8.641 -5.960 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.466 -6.828 -5.154 1.00 0.00 C ATOM 735 CE1 HIS A 45 8.968 -7.891 -6.979 1.00 0.00 C ATOM 736 NE2 HIS A 45 9.558 -6.778 -6.541 1.00 0.00 N ATOM 0 H HIS A 45 6.347 -7.822 -2.279 1.00 0.00 H new ATOM 0 HA HIS A 45 6.840 -9.376 -4.585 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.310 -7.712 -2.718 1.00 0.00 H new ATOM 0 HB3 HIS A 45 9.248 -9.156 -3.047 1.00 0.00 H new ATOM 0 HD1 HIS A 45 8.022 -9.534 -6.041 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.847 -6.079 -4.476 1.00 0.00 H new ATOM 0 HE1 HIS A 45 8.871 -8.157 -8.021 1.00 0.00 H new ATOM 745 N ASP A 46 7.165 -10.981 -1.757 1.00 0.00 N ATOM 746 CA ASP A 46 7.372 -12.341 -1.185 1.00 0.00 C ATOM 747 C ASP A 46 6.128 -13.196 -1.435 1.00 0.00 C ATOM 748 O ASP A 46 6.100 -14.371 -1.125 1.00 0.00 O ATOM 749 CB ASP A 46 7.614 -12.228 0.322 1.00 0.00 C ATOM 750 CG ASP A 46 8.800 -13.111 0.715 1.00 0.00 C ATOM 751 OD1 ASP A 46 9.857 -12.943 0.129 1.00 0.00 O ATOM 752 OD2 ASP A 46 8.630 -13.941 1.593 1.00 0.00 O ATOM 0 H ASP A 46 6.847 -10.275 -1.093 1.00 0.00 H new ATOM 0 HA ASP A 46 8.235 -12.806 -1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.813 -11.191 0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.722 -12.534 0.868 1.00 0.00 H new ATOM 757 N PHE A 47 5.098 -12.621 -1.995 1.00 0.00 N ATOM 758 CA PHE A 47 3.863 -13.407 -2.262 1.00 0.00 C ATOM 759 C PHE A 47 4.070 -14.247 -3.523 1.00 0.00 C ATOM 760 O PHE A 47 3.606 -15.366 -3.621 1.00 0.00 O ATOM 761 CB PHE A 47 2.685 -12.452 -2.463 1.00 0.00 C ATOM 762 CG PHE A 47 1.400 -13.243 -2.531 1.00 0.00 C ATOM 763 CD1 PHE A 47 0.726 -13.581 -1.353 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.882 -13.636 -3.771 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.466 -14.314 -1.412 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.310 -14.369 -3.831 1.00 0.00 C ATOM 767 CZ PHE A 47 -0.984 -14.707 -2.652 1.00 0.00 C ATOM 0 H PHE A 47 5.060 -11.642 -2.278 1.00 0.00 H new ATOM 0 HA PHE A 47 3.651 -14.063 -1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.640 -11.735 -1.643 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.820 -11.879 -3.380 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.125 -13.276 -0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.401 -13.374 -4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.985 -14.576 -0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.709 -14.673 -4.787 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.904 -15.271 -2.699 1.00 0.00 H new ATOM 777 N MET A 48 4.768 -13.715 -4.488 1.00 0.00 N ATOM 778 CA MET A 48 5.011 -14.480 -5.743 1.00 0.00 C ATOM 779 C MET A 48 5.766 -15.768 -5.411 1.00 0.00 C ATOM 780 O MET A 48 5.312 -16.857 -5.702 1.00 0.00 O ATOM 781 CB MET A 48 5.847 -13.633 -6.708 1.00 0.00 C ATOM 782 CG MET A 48 5.267 -12.218 -6.800 1.00 0.00 C ATOM 783 SD MET A 48 6.620 -11.016 -6.843 1.00 0.00 S ATOM 784 CE MET A 48 6.237 -10.299 -8.460 1.00 0.00 C ATOM 0 H MET A 48 5.181 -12.783 -4.462 1.00 0.00 H new ATOM 0 HA MET A 48 4.057 -14.724 -6.211 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.881 -13.590 -6.365 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.858 -14.095 -7.695 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.652 -12.122 -7.695 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.619 -12.022 -5.946 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.962 -9.519 -8.693 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.283 -11.076 -9.223 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.235 -9.869 -8.439 1.00 0.00 H new ATOM 794 N GLN A 49 6.914 -15.654 -4.803 1.00 0.00 N ATOM 795 CA GLN A 49 7.693 -16.875 -4.454 1.00 0.00 C ATOM 796 C GLN A 49 6.958 -17.651 -3.363 1.00 0.00 C ATOM 797 O GLN A 49 6.934 -18.866 -3.362 1.00 0.00 O ATOM 798 CB GLN A 49 9.076 -16.470 -3.943 1.00 0.00 C ATOM 799 CG GLN A 49 8.943 -15.269 -3.005 1.00 0.00 C ATOM 800 CD GLN A 49 9.222 -13.982 -3.783 1.00 0.00 C ATOM 801 OE1 GLN A 49 9.874 -13.086 -3.284 1.00 0.00 O ATOM 802 NE2 GLN A 49 8.753 -13.852 -4.994 1.00 0.00 N ATOM 0 H GLN A 49 7.346 -14.770 -4.533 1.00 0.00 H new ATOM 0 HA GLN A 49 7.801 -17.502 -5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.540 -17.305 -3.418 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.726 -16.220 -4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.941 -15.238 -2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.642 -15.363 -2.174 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.206 -14.604 -5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.934 -12.998 -5.522 1.00 0.00 H new ATOM 811 N GLY A 50 6.355 -16.962 -2.435 1.00 0.00 N ATOM 812 CA GLY A 50 5.619 -17.667 -1.348 1.00 0.00 C ATOM 813 C GLY A 50 4.701 -18.723 -1.963 1.00 0.00 C ATOM 814 O GLY A 50 4.068 -19.490 -1.267 1.00 0.00 O ATOM 0 H GLY A 50 6.340 -15.944 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.323 -18.136 -0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.034 -16.954 -0.767 1.00 0.00 H new ATOM 818 N GLY A 51 4.626 -18.768 -3.265 1.00 0.00 N ATOM 819 CA GLY A 51 3.748 -19.773 -3.926 1.00 0.00 C ATOM 820 C GLY A 51 2.284 -19.446 -3.631 1.00 0.00 C ATOM 821 O GLY A 51 1.424 -19.586 -4.476 1.00 0.00 O ATOM 0 H GLY A 51 5.135 -18.152 -3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.922 -19.771 -5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.988 -20.773 -3.566 1.00 0.00 H new ATOM 825 N GLY A 52 1.994 -19.009 -2.435 1.00 0.00 N ATOM 826 CA GLY A 52 0.585 -18.675 -2.085 1.00 0.00 C ATOM 827 C GLY A 52 0.438 -18.666 -0.566 1.00 0.00 C ATOM 828 O GLY A 52 -0.552 -19.114 -0.022 1.00 0.00 O ATOM 0 H GLY A 52 2.672 -18.869 -1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.316 -17.701 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.095 -19.405 -2.525 1.00 0.00 H new ATOM 832 N SER A 53 1.424 -18.164 0.124 1.00 0.00 N ATOM 833 CA SER A 53 1.355 -18.128 1.608 1.00 0.00 C ATOM 834 C SER A 53 0.368 -17.046 2.050 1.00 0.00 C ATOM 835 O SER A 53 0.756 -15.989 2.506 1.00 0.00 O ATOM 836 CB SER A 53 2.743 -17.817 2.167 1.00 0.00 C ATOM 837 OG SER A 53 3.716 -18.570 1.455 1.00 0.00 O ATOM 0 H SER A 53 2.277 -17.776 -0.279 1.00 0.00 H new ATOM 0 HA SER A 53 1.018 -19.094 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.954 -16.751 2.077 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.783 -18.061 3.229 1.00 0.00 H new ATOM 0 HG SER A 53 4.608 -18.371 1.810 1.00 0.00 H new ATOM 843 N GLY A 54 -0.906 -17.303 1.925 1.00 0.00 N ATOM 844 CA GLY A 54 -1.914 -16.289 2.343 1.00 0.00 C ATOM 845 C GLY A 54 -1.614 -15.843 3.774 1.00 0.00 C ATOM 846 O GLY A 54 -2.228 -14.930 4.293 1.00 0.00 O ATOM 0 H GLY A 54 -1.291 -18.171 1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.887 -15.433 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.918 -16.710 2.283 1.00 0.00 H new ATOM 850 N GLY A 55 -0.672 -16.478 4.416 1.00 0.00 N ATOM 851 CA GLY A 55 -0.329 -16.088 5.811 1.00 0.00 C ATOM 852 C GLY A 55 0.679 -14.943 5.775 1.00 0.00 C ATOM 853 O GLY A 55 0.664 -14.061 6.611 1.00 0.00 O ATOM 0 H GLY A 55 -0.126 -17.250 4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.227 -15.782 6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.088 -16.940 6.348 1.00 0.00 H new ATOM 857 N LYS A 56 1.555 -14.945 4.807 1.00 0.00 N ATOM 858 CA LYS A 56 2.558 -13.853 4.713 1.00 0.00 C ATOM 859 C LYS A 56 1.844 -12.554 4.355 1.00 0.00 C ATOM 860 O LYS A 56 2.262 -11.477 4.733 1.00 0.00 O ATOM 861 CB LYS A 56 3.586 -14.191 3.630 1.00 0.00 C ATOM 862 CG LYS A 56 4.558 -15.251 4.158 1.00 0.00 C ATOM 863 CD LYS A 56 5.999 -14.759 3.985 1.00 0.00 C ATOM 864 CE LYS A 56 6.290 -13.649 4.998 1.00 0.00 C ATOM 865 NZ LYS A 56 6.692 -14.255 6.299 1.00 0.00 N ATOM 0 H LYS A 56 1.617 -15.657 4.079 1.00 0.00 H new ATOM 0 HA LYS A 56 3.071 -13.740 5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.081 -14.559 2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.133 -13.294 3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.356 -15.453 5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.416 -16.189 3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.695 -15.586 4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.147 -14.387 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.084 -13.002 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.407 -13.025 5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.262 -13.719 7.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.367 -15.242 6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.728 -14.228 6.389 1.00 0.00 H new ATOM 879 N LEU A 57 0.764 -12.649 3.635 1.00 0.00 N ATOM 880 CA LEU A 57 0.014 -11.423 3.259 1.00 0.00 C ATOM 881 C LEU A 57 -0.694 -10.876 4.495 1.00 0.00 C ATOM 882 O LEU A 57 -0.448 -9.767 4.925 1.00 0.00 O ATOM 883 CB LEU A 57 -1.024 -11.769 2.195 1.00 0.00 C ATOM 884 CG LEU A 57 -1.533 -10.484 1.540 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.560 -10.837 0.468 1.00 0.00 C ATOM 886 CD2 LEU A 57 -2.193 -9.594 2.595 1.00 0.00 C ATOM 0 H LEU A 57 0.368 -13.524 3.291 1.00 0.00 H new ATOM 0 HA LEU A 57 0.703 -10.676 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.584 -12.424 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.854 -12.313 2.645 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.695 -9.952 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.925 -9.923 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.095 -11.471 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.395 -11.369 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.554 -8.679 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.031 -10.125 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.465 -9.342 3.366 1.00 0.00 H new ATOM 898 N GLN A 58 -1.569 -11.644 5.077 1.00 0.00 N ATOM 899 CA GLN A 58 -2.282 -11.157 6.285 1.00 0.00 C ATOM 900 C GLN A 58 -1.261 -10.525 7.231 1.00 0.00 C ATOM 901 O GLN A 58 -1.610 -9.871 8.194 1.00 0.00 O ATOM 902 CB GLN A 58 -2.988 -12.324 6.975 1.00 0.00 C ATOM 903 CG GLN A 58 -4.399 -12.470 6.399 1.00 0.00 C ATOM 904 CD GLN A 58 -4.356 -12.267 4.882 1.00 0.00 C ATOM 905 OE1 GLN A 58 -3.986 -13.161 4.147 1.00 0.00 O ATOM 906 NE2 GLN A 58 -4.725 -11.118 4.377 1.00 0.00 N ATOM 0 H GLN A 58 -1.820 -12.584 4.770 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.031 -10.417 6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.424 -13.245 6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.037 -12.151 8.050 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.798 -13.457 6.633 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.067 -11.739 6.855 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.036 -10.367 4.993 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.702 -10.974 3.368 1.00 0.00 H new ATOM 915 N GLU A 59 0.001 -10.703 6.949 1.00 0.00 N ATOM 916 CA GLU A 59 1.054 -10.101 7.815 1.00 0.00 C ATOM 917 C GLU A 59 1.153 -8.610 7.500 1.00 0.00 C ATOM 918 O GLU A 59 0.988 -7.770 8.362 1.00 0.00 O ATOM 919 CB GLU A 59 2.399 -10.775 7.532 1.00 0.00 C ATOM 920 CG GLU A 59 3.252 -10.771 8.803 1.00 0.00 C ATOM 921 CD GLU A 59 4.694 -11.147 8.454 1.00 0.00 C ATOM 922 OE1 GLU A 59 4.873 -11.984 7.584 1.00 0.00 O ATOM 923 OE2 GLU A 59 5.595 -10.593 9.063 1.00 0.00 O ATOM 0 H GLU A 59 0.349 -11.240 6.155 1.00 0.00 H new ATOM 0 HA GLU A 59 0.798 -10.244 8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.240 -11.798 7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.919 -10.250 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.225 -9.786 9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.846 -11.477 9.528 1.00 0.00 H new ATOM 930 N MET A 60 1.408 -8.271 6.264 1.00 0.00 N ATOM 931 CA MET A 60 1.502 -6.834 5.893 1.00 0.00 C ATOM 932 C MET A 60 0.106 -6.219 5.964 1.00 0.00 C ATOM 933 O MET A 60 -0.058 -5.017 5.929 1.00 0.00 O ATOM 934 CB MET A 60 2.054 -6.701 4.471 1.00 0.00 C ATOM 935 CG MET A 60 1.055 -7.289 3.471 1.00 0.00 C ATOM 936 SD MET A 60 -0.312 -6.128 3.228 1.00 0.00 S ATOM 937 CE MET A 60 -0.649 -6.535 1.498 1.00 0.00 C ATOM 0 H MET A 60 1.555 -8.928 5.498 1.00 0.00 H new ATOM 0 HA MET A 60 2.172 -6.316 6.580 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.240 -5.652 4.240 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.010 -7.219 4.392 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.550 -7.488 2.521 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.675 -8.242 3.838 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.657 -6.212 1.238 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.071 -6.026 0.858 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.565 -7.612 1.355 1.00 0.00 H new ATOM 947 N MET A 61 -0.904 -7.041 6.069 1.00 0.00 N ATOM 948 CA MET A 61 -2.293 -6.512 6.150 1.00 0.00 C ATOM 949 C MET A 61 -2.376 -5.504 7.298 1.00 0.00 C ATOM 950 O MET A 61 -2.973 -4.454 7.172 1.00 0.00 O ATOM 951 CB MET A 61 -3.263 -7.671 6.401 1.00 0.00 C ATOM 952 CG MET A 61 -4.464 -7.179 7.214 1.00 0.00 C ATOM 953 SD MET A 61 -4.029 -7.144 8.969 1.00 0.00 S ATOM 954 CE MET A 61 -4.597 -8.813 9.371 1.00 0.00 C ATOM 0 H MET A 61 -0.825 -8.057 6.102 1.00 0.00 H new ATOM 0 HA MET A 61 -2.560 -6.019 5.215 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.601 -8.086 5.451 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.754 -8.473 6.936 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.759 -6.184 6.881 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.319 -7.835 7.053 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.358 -9.038 10.410 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.675 -8.875 9.225 1.00 0.00 H new ATOM 0 HE3 MET A 61 -4.100 -9.533 8.721 1.00 0.00 H new ATOM 964 N LYS A 62 -1.773 -5.814 8.413 1.00 0.00 N ATOM 965 CA LYS A 62 -1.811 -4.870 9.562 1.00 0.00 C ATOM 966 C LYS A 62 -1.077 -3.587 9.172 1.00 0.00 C ATOM 967 O LYS A 62 -1.560 -2.493 9.389 1.00 0.00 O ATOM 968 CB LYS A 62 -1.133 -5.513 10.774 1.00 0.00 C ATOM 969 CG LYS A 62 -1.994 -6.674 11.278 1.00 0.00 C ATOM 970 CD LYS A 62 -1.380 -7.254 12.554 1.00 0.00 C ATOM 971 CE LYS A 62 -2.286 -8.360 13.099 1.00 0.00 C ATOM 972 NZ LYS A 62 -1.674 -9.690 12.822 1.00 0.00 N ATOM 0 H LYS A 62 -1.257 -6.679 8.576 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.844 -4.635 9.819 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.141 -5.872 10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.999 -4.775 11.564 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.009 -6.328 11.476 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.064 -7.447 10.513 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.388 -7.653 12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.257 -6.469 13.300 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.429 -8.231 14.172 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.271 -8.298 12.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.291 -10.440 13.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.559 -9.812 11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.744 -9.747 13.284 1.00 0.00 H new ATOM 986 N GLU A 63 0.083 -3.711 8.582 1.00 0.00 N ATOM 987 CA GLU A 63 0.839 -2.496 8.163 1.00 0.00 C ATOM 988 C GLU A 63 0.074 -1.809 7.031 1.00 0.00 C ATOM 989 O GLU A 63 0.003 -0.599 6.956 1.00 0.00 O ATOM 990 CB GLU A 63 2.231 -2.900 7.670 1.00 0.00 C ATOM 991 CG GLU A 63 3.061 -1.643 7.402 1.00 0.00 C ATOM 992 CD GLU A 63 3.242 -0.862 8.705 1.00 0.00 C ATOM 993 OE1 GLU A 63 3.353 -1.496 9.741 1.00 0.00 O ATOM 994 OE2 GLU A 63 3.269 0.357 8.645 1.00 0.00 O ATOM 0 H GLU A 63 0.538 -4.600 8.373 1.00 0.00 H new ATOM 0 HA GLU A 63 0.945 -1.815 9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.726 -3.524 8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.148 -3.495 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.033 -1.917 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.566 -1.019 6.658 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.507 -2.581 6.152 1.00 0.00 N ATOM 1002 CA PHE A 64 -1.282 -1.990 5.025 1.00 0.00 C ATOM 1003 C PHE A 64 -2.407 -1.127 5.602 1.00 0.00 C ATOM 1004 O PHE A 64 -2.678 -0.043 5.125 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.881 -3.126 4.180 1.00 0.00 C ATOM 1006 CG PHE A 64 -2.418 -2.593 2.865 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -3.466 -1.661 2.852 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.871 -3.039 1.652 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -3.962 -1.179 1.640 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -2.371 -2.554 0.438 1.00 0.00 C ATOM 1011 CZ PHE A 64 -3.416 -1.622 0.433 1.00 0.00 C ATOM 0 H PHE A 64 -0.477 -3.600 6.167 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.634 -1.377 4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.120 -3.882 3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.683 -3.614 4.734 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.890 -1.315 3.783 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.064 -3.757 1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.770 -0.462 1.635 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.951 -2.899 -0.495 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.800 -1.246 -0.504 1.00 0.00 H new ATOM 1021 N GLN A 65 -3.071 -1.605 6.621 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.186 -0.818 7.223 1.00 0.00 C ATOM 1023 C GLN A 65 -3.618 0.336 8.053 1.00 0.00 C ATOM 1024 O GLN A 65 -4.338 1.216 8.479 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.029 -1.726 8.120 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.123 -0.901 8.800 1.00 0.00 C ATOM 1027 CD GLN A 65 -5.602 -0.366 10.135 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -6.367 0.097 10.958 1.00 0.00 O ATOM 1029 NE2 GLN A 65 -4.324 -0.411 10.387 1.00 0.00 N ATOM 0 H GLN A 65 -2.889 -2.506 7.062 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.810 -0.414 6.426 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.476 -2.525 7.529 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.397 -2.201 8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.423 -0.074 8.156 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.009 -1.515 8.963 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.681 -0.800 9.697 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.966 -0.058 11.275 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.331 0.353 8.273 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.730 1.465 9.062 1.00 0.00 C ATOM 1040 C GLN A 66 -1.611 2.682 8.153 1.00 0.00 C ATOM 1041 O GLN A 66 -1.979 3.785 8.508 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.337 1.060 9.550 1.00 0.00 C ATOM 1043 CG GLN A 66 -0.362 0.856 11.066 1.00 0.00 C ATOM 1044 CD GLN A 66 -1.098 -0.445 11.394 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -0.530 -1.515 11.310 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -2.346 -0.396 11.766 1.00 0.00 N ATOM 0 H GLN A 66 -1.673 -0.352 7.942 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.356 1.692 9.925 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.020 0.142 9.055 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.389 1.830 9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.655 0.819 11.455 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.858 1.698 11.549 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.822 0.503 11.836 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.846 -1.257 11.987 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.109 2.475 6.971 1.00 0.00 N ATOM 1056 CA VAL A 67 -0.969 3.592 6.005 1.00 0.00 C ATOM 1057 C VAL A 67 -2.362 4.068 5.599 1.00 0.00 C ATOM 1058 O VAL A 67 -2.687 5.234 5.688 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.228 3.081 4.773 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.673 4.180 4.210 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.624 1.876 5.166 1.00 0.00 C ATOM 0 H VAL A 67 -0.787 1.569 6.631 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.415 4.417 6.454 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.952 2.791 4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.198 3.806 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.066 5.041 3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.399 4.478 4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.156 1.506 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.343 2.172 5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.019 1.089 5.560 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.187 3.162 5.153 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.564 3.538 4.737 1.00 0.00 C ATOM 1073 C LEU A 68 -5.167 4.496 5.767 1.00 0.00 C ATOM 1074 O LEU A 68 -5.802 5.474 5.426 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.423 2.273 4.643 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.867 2.640 4.286 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.575 3.227 5.511 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.867 3.671 3.155 1.00 0.00 C ATOM 0 H LEU A 68 -2.963 2.171 5.059 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.533 4.031 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.013 1.602 3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.400 1.738 5.592 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.395 1.742 3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.601 3.485 5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.580 2.492 6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.048 4.122 5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.894 3.932 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.334 4.565 3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.372 3.251 2.279 1.00 0.00 H new ATOM 1090 N ASP A 69 -4.974 4.219 7.026 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.536 5.106 8.084 1.00 0.00 C ATOM 1092 C ASP A 69 -4.598 6.294 8.317 1.00 0.00 C ATOM 1093 O ASP A 69 -4.996 7.319 8.834 1.00 0.00 O ATOM 1094 CB ASP A 69 -5.685 4.307 9.380 1.00 0.00 C ATOM 1095 CG ASP A 69 -6.371 5.169 10.444 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -6.075 6.350 10.503 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -7.180 4.629 11.182 1.00 0.00 O ATOM 0 H ASP A 69 -4.450 3.414 7.370 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.510 5.479 7.768 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.269 3.405 9.197 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.706 3.986 9.735 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.355 6.169 7.943 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.400 7.295 8.152 1.00 0.00 C ATOM 1104 C GLU A 70 -2.641 8.380 7.103 1.00 0.00 C ATOM 1105 O GLU A 70 -3.195 9.422 7.393 1.00 0.00 O ATOM 1106 CB GLU A 70 -0.966 6.781 8.034 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.035 7.697 8.831 1.00 0.00 C ATOM 1108 CD GLU A 70 0.313 7.034 10.165 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -0.512 7.086 11.063 1.00 0.00 O ATOM 1110 OE2 GLU A 70 1.397 6.485 10.266 1.00 0.00 O ATOM 0 H GLU A 70 -2.959 5.338 7.503 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.554 7.715 9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.901 5.760 8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.661 6.755 6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.874 7.893 8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.516 8.659 9.006 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.225 8.154 5.888 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.433 9.189 4.837 1.00 0.00 C ATOM 1119 C ILE A 71 -3.864 9.720 4.927 1.00 0.00 C ATOM 1120 O ILE A 71 -4.122 10.876 4.660 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.192 8.584 3.452 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.482 7.236 3.598 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.318 9.535 2.634 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -0.961 6.781 2.234 1.00 0.00 C ATOM 0 H ILE A 71 -1.753 7.304 5.579 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.729 10.007 4.992 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.146 8.436 2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.656 7.323 4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.170 6.493 4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.143 9.109 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.823 10.495 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.364 9.679 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.456 5.821 2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.796 6.677 1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.259 7.520 1.848 1.00 0.00 H new ATOM 1136 N LYS A 72 -4.797 8.890 5.310 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.206 9.360 5.423 1.00 0.00 C ATOM 1138 C LYS A 72 -6.223 10.699 6.164 1.00 0.00 C ATOM 1139 O LYS A 72 -6.934 11.612 5.798 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.030 8.330 6.200 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.479 8.812 6.325 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.265 8.405 5.077 1.00 0.00 C ATOM 1143 CE LYS A 72 -10.491 9.310 4.927 1.00 0.00 C ATOM 1144 NZ LYS A 72 -11.706 8.472 4.722 1.00 0.00 N ATOM 0 H LYS A 72 -4.644 7.910 5.549 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.636 9.483 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.000 7.367 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.600 8.179 7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.940 8.382 7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.503 9.895 6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.631 8.484 4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.576 7.363 5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.610 9.930 5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.356 9.986 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.539 9.087 4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.591 7.899 3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.837 7.845 5.541 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.439 10.824 7.199 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.407 12.105 7.957 1.00 0.00 C ATOM 1160 C GLN A 73 -4.755 13.181 7.086 1.00 0.00 C ATOM 1161 O GLN A 73 -5.213 14.303 7.023 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.588 11.920 9.238 1.00 0.00 C ATOM 1163 CG GLN A 73 -4.506 13.247 9.999 1.00 0.00 C ATOM 1164 CD GLN A 73 -5.426 13.193 11.219 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -6.536 12.706 11.136 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -5.011 13.678 12.357 1.00 0.00 N ATOM 0 H GLN A 73 -4.820 10.095 7.552 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.422 12.405 8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.047 11.158 9.867 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.586 11.569 8.992 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.479 13.436 10.313 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.797 14.071 9.347 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.079 14.087 12.428 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.618 13.648 13.176 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.689 12.844 6.413 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.010 13.849 5.547 1.00 0.00 C ATOM 1177 C GLN A 74 -4.041 14.528 4.644 1.00 0.00 C ATOM 1178 O GLN A 74 -3.876 15.663 4.242 1.00 0.00 O ATOM 1179 CB GLN A 74 -1.959 13.151 4.680 1.00 0.00 C ATOM 1180 CG GLN A 74 -0.961 12.414 5.575 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.022 13.423 6.239 1.00 0.00 C ATOM 1182 OE1 GLN A 74 0.257 13.326 7.418 1.00 0.00 O ATOM 1183 NE2 GLN A 74 0.483 14.393 5.528 1.00 0.00 N ATOM 0 H GLN A 74 -3.260 11.919 6.425 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.527 14.598 6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.442 12.448 4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.438 13.883 4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.493 11.842 6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.386 11.701 4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.249 14.475 4.539 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.112 15.069 5.962 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.105 13.843 4.318 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.141 14.453 3.438 1.00 0.00 C ATOM 1194 C LEU A 75 -6.793 15.638 4.152 1.00 0.00 C ATOM 1195 O LEU A 75 -7.957 15.927 3.958 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.210 13.409 3.105 1.00 0.00 C ATOM 1197 CG LEU A 75 -6.812 12.660 1.832 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.811 13.630 0.648 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.410 12.070 2.008 1.00 0.00 C ATOM 0 H LEU A 75 -5.300 12.889 4.623 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.671 14.800 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.320 12.708 3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.177 13.894 2.967 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.525 11.858 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.527 13.096 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.808 14.053 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.097 14.432 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.124 11.536 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.698 12.874 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.409 11.380 2.852 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.051 16.331 4.973 1.00 0.00 N ATOM 1212 CA GLN A 76 -6.632 17.499 5.692 1.00 0.00 C ATOM 1213 C GLN A 76 -7.002 18.581 4.679 1.00 0.00 C ATOM 1214 O GLN A 76 -8.162 18.847 4.433 1.00 0.00 O ATOM 1215 CB GLN A 76 -5.601 18.055 6.679 1.00 0.00 C ATOM 1216 CG GLN A 76 -6.124 19.357 7.290 1.00 0.00 C ATOM 1217 CD GLN A 76 -7.405 19.073 8.077 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -8.365 19.812 7.983 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -7.460 18.026 8.853 1.00 0.00 N ATOM 0 H GLN A 76 -5.070 16.139 5.176 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.523 17.187 6.236 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.405 17.326 7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.655 18.235 6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.370 19.792 7.946 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.321 20.086 6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.654 17.406 8.931 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.309 17.827 9.382 1.00 0.00 H new ATOM 1228 N GLY A 77 -6.023 19.206 4.085 1.00 0.00 N ATOM 1229 CA GLY A 77 -6.315 20.269 3.083 1.00 0.00 C ATOM 1230 C GLY A 77 -5.091 20.473 2.189 1.00 0.00 C ATOM 1231 O GLY A 77 -3.967 20.481 2.652 1.00 0.00 O ATOM 0 H GLY A 77 -5.033 19.026 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.178 19.988 2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.570 21.201 3.588 1.00 0.00 H new ATOM 1235 N GLY A 78 -5.296 20.639 0.910 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.142 20.847 -0.010 1.00 0.00 C ATOM 1237 C GLY A 78 -3.703 19.503 -0.600 1.00 0.00 C ATOM 1238 O GLY A 78 -3.143 19.442 -1.676 1.00 0.00 O ATOM 0 H GLY A 78 -6.213 20.639 0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.421 21.532 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.313 21.307 0.529 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.952 18.427 0.095 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.547 17.092 -0.430 1.00 0.00 C ATOM 1244 C ASP A 79 -4.684 16.509 -1.272 1.00 0.00 C ATOM 1245 O ASP A 79 -4.839 15.309 -1.378 1.00 0.00 O ATOM 1246 CB ASP A 79 -3.242 16.150 0.739 1.00 0.00 C ATOM 1247 CG ASP A 79 -3.228 16.943 2.047 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -4.167 17.685 2.278 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -2.275 16.794 2.796 1.00 0.00 O ATOM 0 H ASP A 79 -4.418 18.414 1.002 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.656 17.202 -1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.992 15.361 0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.278 15.664 0.586 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.482 17.349 -1.875 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.605 16.837 -2.711 1.00 0.00 C ATOM 1256 C ASN A 80 -6.056 15.867 -3.756 1.00 0.00 C ATOM 1257 O ASN A 80 -6.797 15.191 -4.441 1.00 0.00 O ATOM 1258 CB ASN A 80 -7.298 18.008 -3.413 1.00 0.00 C ATOM 1259 CG ASN A 80 -6.626 19.319 -3.003 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -5.552 19.639 -3.472 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -7.217 20.099 -2.140 1.00 0.00 N ATOM 0 H ASN A 80 -5.405 18.365 -1.825 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.325 16.321 -2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.243 17.882 -4.494 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.355 18.031 -3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.777 20.976 -1.860 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.119 19.832 -1.745 1.00 0.00 H new ATOM 1268 N SER A 81 -4.759 15.776 -3.870 1.00 0.00 N ATOM 1269 CA SER A 81 -4.167 14.833 -4.852 1.00 0.00 C ATOM 1270 C SER A 81 -4.209 13.443 -4.236 1.00 0.00 C ATOM 1271 O SER A 81 -4.564 12.474 -4.876 1.00 0.00 O ATOM 1272 CB SER A 81 -2.719 15.229 -5.141 1.00 0.00 C ATOM 1273 OG SER A 81 -2.678 16.045 -6.305 1.00 0.00 O ATOM 0 H SER A 81 -4.087 16.315 -3.324 1.00 0.00 H new ATOM 0 HA SER A 81 -4.723 14.854 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.301 15.767 -4.291 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.108 14.338 -5.286 1.00 0.00 H new ATOM 0 HG SER A 81 -1.948 16.694 -6.224 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.871 13.349 -2.979 1.00 0.00 N ATOM 1280 CA LEU A 82 -3.913 12.035 -2.297 1.00 0.00 C ATOM 1281 C LEU A 82 -5.341 11.506 -2.362 1.00 0.00 C ATOM 1282 O LEU A 82 -5.575 10.340 -2.611 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.499 12.202 -0.841 1.00 0.00 C ATOM 1284 CG LEU A 82 -1.992 11.988 -0.724 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.266 12.955 -1.659 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.552 12.244 0.715 1.00 0.00 C ATOM 0 H LEU A 82 -3.568 14.130 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.230 11.338 -2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.766 13.197 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.031 11.486 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.748 10.963 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.190 12.803 -1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.580 12.772 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.510 13.981 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.476 12.091 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.796 13.269 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.070 11.554 1.382 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.300 12.365 -2.152 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.715 11.920 -2.216 1.00 0.00 C ATOM 1300 C HIS A 83 -7.883 11.036 -3.449 1.00 0.00 C ATOM 1301 O HIS A 83 -8.766 10.203 -3.519 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.635 13.139 -2.325 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.672 13.087 -1.236 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -9.931 14.171 -0.408 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.519 12.088 -0.822 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -10.898 13.801 0.454 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -11.288 12.544 0.242 1.00 0.00 N ATOM 0 H HIS A 83 -6.163 13.353 -1.939 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.976 11.363 -1.316 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.052 14.056 -2.242 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -9.119 13.156 -3.302 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.578 11.101 -1.256 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.306 14.443 1.221 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.002 12.025 0.754 1.00 0.00 H new ATOM 1316 N ASN A 84 -7.029 11.207 -4.422 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.121 10.376 -5.652 1.00 0.00 C ATOM 1318 C ASN A 84 -6.142 9.204 -5.539 1.00 0.00 C ATOM 1319 O ASN A 84 -6.410 8.114 -6.004 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.785 11.236 -6.879 1.00 0.00 C ATOM 1321 CG ASN A 84 -5.322 11.035 -7.281 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -4.943 9.971 -7.730 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -4.478 12.022 -7.143 1.00 0.00 N ATOM 0 H ASN A 84 -6.270 11.889 -4.416 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.133 9.987 -5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.438 10.968 -7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.967 12.287 -6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.502 11.900 -7.412 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.795 12.915 -6.766 1.00 0.00 H new ATOM 1330 N VAL A 85 -5.010 9.414 -4.918 1.00 0.00 N ATOM 1331 CA VAL A 85 -4.027 8.310 -4.771 1.00 0.00 C ATOM 1332 C VAL A 85 -4.315 7.557 -3.471 1.00 0.00 C ATOM 1333 O VAL A 85 -4.376 6.344 -3.444 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.614 8.892 -4.726 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.632 7.895 -5.332 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.568 10.192 -5.530 1.00 0.00 C ATOM 0 H VAL A 85 -4.728 10.304 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.107 7.626 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.342 9.093 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.625 8.311 -5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.659 6.966 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.909 7.695 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.560 10.605 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.843 9.990 -6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.268 10.909 -5.102 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.502 8.270 -2.394 1.00 0.00 N ATOM 1347 CA HIS A 86 -4.796 7.599 -1.098 1.00 0.00 C ATOM 1348 C HIS A 86 -5.929 6.591 -1.306 1.00 0.00 C ATOM 1349 O HIS A 86 -5.913 5.504 -0.764 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.212 8.655 -0.068 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.201 8.067 0.901 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -7.561 8.336 0.826 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -6.044 7.225 1.975 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -8.162 7.669 1.828 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -7.282 6.978 2.555 1.00 0.00 N ATOM 0 H HIS A 86 -4.464 9.289 -2.357 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.911 7.076 -0.735 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.335 9.016 0.469 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.653 9.514 -0.574 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -8.021 8.931 0.137 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.103 6.818 2.316 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.225 7.690 2.020 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.908 6.941 -2.095 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.035 5.999 -2.344 1.00 0.00 C ATOM 1366 C GLU A 87 -7.485 4.719 -2.971 1.00 0.00 C ATOM 1367 O GLU A 87 -8.043 3.649 -2.818 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.040 6.645 -3.297 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.188 5.671 -3.567 1.00 0.00 C ATOM 1370 CD GLU A 87 -11.179 6.305 -4.546 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -10.884 6.318 -5.730 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -12.213 6.767 -4.094 1.00 0.00 O ATOM 0 H GLU A 87 -6.976 7.837 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.533 5.763 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.426 7.568 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.549 6.913 -4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.799 4.740 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.693 5.420 -2.634 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.390 4.818 -3.675 1.00 0.00 N ATOM 1380 CA ASN A 88 -5.798 3.607 -4.310 1.00 0.00 C ATOM 1381 C ASN A 88 -5.455 2.588 -3.222 1.00 0.00 C ATOM 1382 O ASN A 88 -5.867 1.446 -3.275 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.529 4.000 -5.067 1.00 0.00 C ATOM 1384 CG ASN A 88 -4.863 5.102 -6.075 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -5.754 5.895 -5.849 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -4.182 5.186 -7.185 1.00 0.00 N ATOM 0 H ASN A 88 -5.880 5.686 -3.838 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.512 3.169 -5.008 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.768 4.348 -4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.116 3.133 -5.582 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.398 5.918 -7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.433 4.520 -7.376 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.711 2.995 -2.230 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.352 2.053 -1.133 1.00 0.00 C ATOM 1395 C ILE A 89 -5.608 1.298 -0.696 1.00 0.00 C ATOM 1396 O ILE A 89 -5.575 0.110 -0.443 1.00 0.00 O ATOM 1397 CB ILE A 89 -3.780 2.849 0.048 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.317 3.226 -0.256 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -3.855 2.011 1.331 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.387 2.711 0.848 1.00 0.00 C ATOM 0 H ILE A 89 -4.337 3.939 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.604 1.340 -1.479 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.365 3.758 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.019 2.804 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.225 4.309 -0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.447 2.584 2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.894 1.757 1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.277 1.096 1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.358 2.987 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.675 3.153 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.466 1.626 0.913 1.00 0.00 H new ATOM 1412 N LYS A 90 -6.716 1.979 -0.607 1.00 0.00 N ATOM 1413 CA LYS A 90 -7.976 1.302 -0.190 1.00 0.00 C ATOM 1414 C LYS A 90 -8.267 0.140 -1.140 1.00 0.00 C ATOM 1415 O LYS A 90 -8.278 -1.009 -0.746 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.131 2.308 -0.242 1.00 0.00 C ATOM 1417 CG LYS A 90 -9.961 2.216 1.042 1.00 0.00 C ATOM 1418 CD LYS A 90 -10.844 3.460 1.168 1.00 0.00 C ATOM 1419 CE LYS A 90 -12.125 3.270 0.354 1.00 0.00 C ATOM 1420 NZ LYS A 90 -13.152 4.250 0.808 1.00 0.00 N ATOM 0 H LYS A 90 -6.804 2.976 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.869 0.921 0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.740 3.318 -0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.761 2.107 -1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.579 1.318 1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.304 2.134 1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.090 3.638 2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.304 4.338 0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.918 3.409 -0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.498 2.253 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.023 4.121 0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.356 4.097 1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.794 5.217 0.670 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.501 0.430 -2.391 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.791 -0.658 -3.367 1.00 0.00 C ATOM 1436 C GLU A 91 -7.567 -1.566 -3.496 1.00 0.00 C ATOM 1437 O GLU A 91 -7.664 -2.773 -3.393 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.121 -0.046 -4.730 1.00 0.00 C ATOM 1439 CG GLU A 91 -10.392 0.798 -4.614 1.00 0.00 C ATOM 1440 CD GLU A 91 -11.590 -0.007 -5.121 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -11.830 -1.078 -4.585 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -12.249 0.459 -6.035 1.00 0.00 O ATOM 0 H GLU A 91 -8.504 1.373 -2.779 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.641 -1.243 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.291 0.572 -5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.261 -0.834 -5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.552 1.093 -3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.286 1.715 -5.193 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.412 -0.999 -3.719 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.188 -1.836 -3.851 1.00 0.00 C ATOM 1451 C ILE A 92 -5.123 -2.816 -2.680 1.00 0.00 C ATOM 1452 O ILE A 92 -4.459 -3.832 -2.739 1.00 0.00 O ATOM 1453 CB ILE A 92 -3.948 -0.940 -3.839 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.688 -0.414 -5.252 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.732 -1.745 -3.370 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -3.061 -1.522 -6.098 1.00 0.00 C ATOM 0 H ILE A 92 -6.265 0.006 -3.815 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.222 -2.388 -4.790 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.115 -0.105 -3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.621 -0.079 -5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.024 0.450 -5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.851 -1.103 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.913 -2.124 -2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.566 -2.582 -4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.875 -1.149 -7.105 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.119 -1.835 -5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.741 -2.372 -6.146 1.00 0.00 H new ATOM 1468 N PHE A 93 -5.812 -2.516 -1.618 1.00 0.00 N ATOM 1469 CA PHE A 93 -5.805 -3.423 -0.436 1.00 0.00 C ATOM 1470 C PHE A 93 -6.593 -4.688 -0.768 1.00 0.00 C ATOM 1471 O PHE A 93 -6.064 -5.783 -0.777 1.00 0.00 O ATOM 1472 CB PHE A 93 -6.493 -2.714 0.733 1.00 0.00 C ATOM 1473 CG PHE A 93 -5.979 -3.240 2.055 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -5.426 -4.525 2.150 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -6.065 -2.432 3.194 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.959 -4.994 3.383 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.599 -2.902 4.425 1.00 0.00 C ATOM 1478 CZ PHE A 93 -5.045 -4.183 4.520 1.00 0.00 C ATOM 0 H PHE A 93 -6.383 -1.677 -1.515 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.779 -3.681 -0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.315 -1.641 0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -7.571 -2.863 0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.361 -5.152 1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -6.492 -1.443 3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -4.532 -5.983 3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.667 -2.276 5.303 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.684 -4.546 5.471 1.00 0.00 H new ATOM 1488 N HIS A 94 -7.861 -4.538 -1.025 1.00 0.00 N ATOM 1489 CA HIS A 94 -8.706 -5.720 -1.339 1.00 0.00 C ATOM 1490 C HIS A 94 -8.301 -6.312 -2.688 1.00 0.00 C ATOM 1491 O HIS A 94 -8.917 -7.242 -3.171 1.00 0.00 O ATOM 1492 CB HIS A 94 -10.176 -5.295 -1.388 1.00 0.00 C ATOM 1493 CG HIS A 94 -10.661 -5.009 0.008 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -11.642 -4.063 0.272 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.307 -5.534 1.228 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -11.842 -4.047 1.603 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -11.055 -4.922 2.228 1.00 0.00 N ATOM 0 H HIS A 94 -8.350 -3.643 -1.031 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.567 -6.474 -0.564 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -10.289 -4.409 -2.013 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.779 -6.083 -1.840 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.564 -6.302 1.385 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.552 -3.405 2.102 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.010 -5.105 3.231 1.00 0.00 H new ATOM 1506 N HIS A 95 -7.269 -5.801 -3.305 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.853 -6.375 -4.614 1.00 0.00 C ATOM 1508 C HIS A 95 -5.815 -7.463 -4.362 1.00 0.00 C ATOM 1509 O HIS A 95 -5.563 -8.309 -5.198 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.254 -5.285 -5.501 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.279 -4.834 -6.505 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -7.669 -5.632 -7.572 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -8.000 -3.672 -6.622 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -8.586 -4.945 -8.278 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.822 -3.747 -7.739 1.00 0.00 N ATOM 0 H HIS A 95 -6.704 -5.023 -2.964 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.721 -6.797 -5.121 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.932 -4.441 -4.891 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.370 -5.664 -6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -7.938 -2.829 -5.949 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -9.070 -5.317 -9.169 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.470 -3.036 -8.077 1.00 0.00 H new ATOM 1524 N LEU A 96 -5.217 -7.446 -3.206 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.200 -8.475 -2.874 1.00 0.00 C ATOM 1526 C LEU A 96 -4.867 -9.582 -2.057 1.00 0.00 C ATOM 1527 O LEU A 96 -4.772 -10.749 -2.384 1.00 0.00 O ATOM 1528 CB LEU A 96 -3.085 -7.823 -2.062 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.728 -8.240 -2.627 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.624 -7.701 -1.722 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.644 -9.769 -2.695 1.00 0.00 C ATOM 0 H LEU A 96 -5.391 -6.758 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.779 -8.903 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.185 -6.738 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.162 -8.120 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.608 -7.834 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.348 -7.995 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.686 -6.614 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.744 -8.109 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.675 -10.063 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.761 -10.185 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.436 -10.149 -3.341 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.555 -9.226 -1.006 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.239 -10.262 -0.187 1.00 0.00 C ATOM 1545 C GLU A 97 -7.121 -11.099 -1.109 1.00 0.00 C ATOM 1546 O GLU A 97 -7.674 -12.108 -0.716 1.00 0.00 O ATOM 1547 CB GLU A 97 -7.099 -9.585 0.882 1.00 0.00 C ATOM 1548 CG GLU A 97 -6.900 -10.296 2.220 1.00 0.00 C ATOM 1549 CD GLU A 97 -8.121 -10.062 3.110 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -8.995 -9.316 2.699 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -8.163 -10.633 4.187 1.00 0.00 O ATOM 0 H GLU A 97 -5.672 -8.266 -0.682 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.505 -10.900 0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.825 -8.534 0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.150 -9.617 0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.754 -11.364 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.002 -9.923 2.712 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.242 -10.689 -2.342 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.069 -11.457 -3.309 1.00 0.00 C ATOM 1560 C GLU A 98 -7.194 -12.538 -3.935 1.00 0.00 C ATOM 1561 O GLU A 98 -7.596 -13.676 -4.074 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.584 -10.516 -4.401 1.00 0.00 C ATOM 1563 CG GLU A 98 -9.827 -11.125 -5.053 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.095 -10.432 -6.390 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -9.176 -9.825 -6.915 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -11.214 -10.522 -6.868 1.00 0.00 O ATOM 0 H GLU A 98 -6.801 -9.851 -2.721 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.920 -11.910 -2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.824 -9.542 -3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.810 -10.353 -5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.682 -12.194 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.688 -11.012 -4.394 1.00 0.00 H new ATOM 1573 N LEU A 99 -5.989 -12.191 -4.302 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.080 -13.200 -4.906 1.00 0.00 C ATOM 1575 C LEU A 99 -4.878 -14.344 -3.911 1.00 0.00 C ATOM 1576 O LEU A 99 -4.326 -15.377 -4.235 1.00 0.00 O ATOM 1577 CB LEU A 99 -3.734 -12.550 -5.226 1.00 0.00 C ATOM 1578 CG LEU A 99 -3.812 -11.889 -6.603 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.074 -10.550 -6.569 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.165 -12.804 -7.645 1.00 0.00 C ATOM 0 H LEU A 99 -5.598 -11.253 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.516 -13.587 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.484 -11.809 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.942 -13.299 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.856 -11.720 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.130 -10.079 -7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.536 -9.899 -5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.030 -10.717 -6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.220 -12.334 -8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.121 -12.974 -7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.692 -13.758 -7.669 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.324 -14.165 -2.698 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.163 -15.235 -1.675 1.00 0.00 C ATOM 1594 C VAL A 100 -6.536 -15.781 -1.284 1.00 0.00 C ATOM 1595 O VAL A 100 -6.709 -16.966 -1.082 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.463 -14.654 -0.446 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.639 -13.445 -0.867 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.499 -14.214 0.582 1.00 0.00 C ATOM 0 H VAL A 100 -5.794 -13.321 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.562 -16.047 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.818 -15.415 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.137 -13.025 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.895 -13.750 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.295 -12.693 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.993 -13.801 1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.146 -13.454 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.100 -15.072 0.883 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.511 -14.924 -1.164 1.00 0.00 N ATOM 1609 CA HIS A 101 -8.863 -15.401 -0.776 1.00 0.00 C ATOM 1610 C HIS A 101 -9.375 -16.391 -1.823 1.00 0.00 C ATOM 1611 O HIS A 101 -10.059 -17.345 -1.508 1.00 0.00 O ATOM 1612 CB HIS A 101 -9.823 -14.214 -0.683 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.203 -14.714 -0.358 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -12.223 -14.734 -1.298 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -11.747 -15.219 0.798 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -13.319 -15.237 -0.698 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -13.080 -15.547 0.577 1.00 0.00 N ATOM 0 H HIS A 101 -7.429 -13.919 -1.317 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.806 -15.894 0.194 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.486 -13.518 0.085 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.835 -13.667 -1.626 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.221 -15.342 1.733 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.272 -15.372 -1.188 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -13.738 -15.942 1.249 1.00 0.00 H new ATOM 1626 N ARG A 102 -9.048 -16.171 -3.067 1.00 0.00 N ATOM 1627 CA ARG A 102 -9.514 -17.097 -4.138 1.00 0.00 C ATOM 1628 C ARG A 102 -8.398 -17.285 -5.168 1.00 0.00 C ATOM 1629 O ARG A 102 -8.326 -18.359 -5.744 1.00 0.00 O ATOM 1630 CB ARG A 102 -10.745 -16.502 -4.825 1.00 0.00 C ATOM 1631 CG ARG A 102 -10.476 -15.037 -5.172 1.00 0.00 C ATOM 1632 CD ARG A 102 -11.304 -14.645 -6.397 1.00 0.00 C ATOM 1633 NE ARG A 102 -12.724 -15.040 -6.181 1.00 0.00 N ATOM 1634 CZ ARG A 102 -13.678 -14.429 -6.828 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -13.387 -13.472 -7.666 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -14.922 -14.775 -6.638 1.00 0.00 N ATOM 1637 OXT ARG A 102 -7.634 -16.354 -5.361 1.00 0.00 O ATOM 0 H ARG A 102 -8.477 -15.389 -3.388 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.772 -18.061 -3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.978 -17.064 -5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.613 -16.578 -4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -10.732 -14.399 -4.327 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.415 -14.888 -5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.236 -13.571 -6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -10.910 -15.135 -7.288 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.951 -15.789 -5.527 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.415 -13.202 -7.815 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.132 -12.994 -8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -15.149 -15.524 -5.983 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.667 -14.297 -7.144 1.00 0.00 H new