USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 788 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 33 ASN : amide:sc= -0.0954 X(o=-1.3,f=-1.2) USER MOD Set 1.2: A 102 CYS SG : rot -69:sc= -1.23 USER MOD Set 2.1: A 43 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 18 THR OG1 : rot -81:sc= 1.24 USER MOD Set 3.2: A 19 ASN : amide:sc= -3.23! C(o=-2!,f=-8.6!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 134:sc= -0.215 (180deg=-2.62!) USER MOD Single : A 16 LYS NZ :NH3+ -151:sc= 2.03 (180deg=1.11!) USER MOD Single : A 17 TYR OH : rot 150:sc= -0.116 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00234 USER MOD Single : A 25 GLN : amide:sc= -0.466 K(o=-0.47,f=-1.6!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.0334 K(o=0.033,f=-2.8!) USER MOD Single : A 48 ASN : amide:sc= -0.0165 X(o=-0.017,f=-0.28) USER MOD Single : A 49 GLN : amide:sc= -0.655! C(o=-0.66!,f=-0.71!) USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= -0.416 (180deg=-1.97!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 160:sc= -0.888 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -6.72! C(o=-7.9!,f=-6.7!) USER MOD Single : A 71 THR OG1 : rot -52:sc= -0.144 USER MOD Single : A 73 THR OG1 : rot -59:sc= 0.844 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc=-0.00912 X(o=-0.0091,f=-0.0091) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0087) USER MOD Single : A 93 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.43) USER MOD Single : A 94 HIS : no HE2:sc= -0.336 X(o=-0.34,f=-0.33) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.3!) USER MOD Single : A 103 THR OG1 : rot 16:sc= 0.484 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.032 X(o=-0.032,f=-0.17) USER MOD Single : A 106 HIS : no HD1:sc= -0.446 X(o=-0.45,f=-0.04) USER MOD Single : A 107 THR OG1 : rot -36:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N ASN A 9 -1.412 0.423 11.850 1.00 0.00 N ATOM 82 CA ASN A 9 -0.494 -0.415 11.087 1.00 0.00 C ATOM 83 C ASN A 9 -0.998 -1.853 11.020 1.00 0.00 C ATOM 84 O ASN A 9 -1.538 -2.380 11.993 1.00 0.00 O ATOM 85 CB ASN A 9 0.901 -0.381 11.714 1.00 0.00 C ATOM 86 CG ASN A 9 1.338 1.026 12.076 1.00 0.00 C ATOM 87 OD1 ASN A 9 1.406 1.907 11.219 1.00 0.00 O ATOM 88 ND2 ASN A 9 1.637 1.243 13.352 1.00 0.00 N ATOM 0 HA ASN A 9 -0.439 -0.020 10.072 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.909 -1.003 12.609 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.620 -0.814 11.018 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.937 2.170 13.655 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.566 0.483 14.029 1.00 0.00 H new ATOM 95 N VAL A 10 -0.818 -2.484 9.864 1.00 0.00 N ATOM 96 CA VAL A 10 -1.252 -3.862 9.669 1.00 0.00 C ATOM 97 C VAL A 10 -0.060 -4.809 9.596 1.00 0.00 C ATOM 98 O VAL A 10 0.810 -4.663 8.737 1.00 0.00 O ATOM 99 CB VAL A 10 -2.091 -4.010 8.386 1.00 0.00 C ATOM 100 CG1 VAL A 10 -2.571 -5.444 8.224 1.00 0.00 C ATOM 101 CG2 VAL A 10 -3.266 -3.045 8.404 1.00 0.00 C ATOM 0 H VAL A 10 -0.374 -2.062 9.048 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.868 -4.124 10.529 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.461 -3.764 7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.162 -5.529 7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.711 -6.111 8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.185 -5.721 9.081 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.848 -3.163 7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.898 -3.257 9.266 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.896 -2.022 8.469 1.00 0.00 H new ATOM 111 N TYR A 11 -0.026 -5.780 10.501 1.00 0.00 N ATOM 112 CA TYR A 11 1.061 -6.751 10.541 1.00 0.00 C ATOM 113 C TYR A 11 0.519 -8.170 10.690 1.00 0.00 C ATOM 114 O TYR A 11 -0.643 -8.369 11.043 1.00 0.00 O ATOM 115 CB TYR A 11 2.015 -6.434 11.694 1.00 0.00 C ATOM 116 CG TYR A 11 1.338 -5.779 12.877 1.00 0.00 C ATOM 117 CD1 TYR A 11 0.185 -6.323 13.431 1.00 0.00 C ATOM 118 CD2 TYR A 11 1.850 -4.617 13.440 1.00 0.00 C ATOM 119 CE1 TYR A 11 -0.437 -5.728 14.511 1.00 0.00 C ATOM 120 CE2 TYR A 11 1.235 -4.017 14.522 1.00 0.00 C ATOM 121 CZ TYR A 11 0.092 -4.576 15.053 1.00 0.00 C ATOM 122 OH TYR A 11 -0.525 -3.980 16.130 1.00 0.00 O ATOM 0 H TYR A 11 -0.739 -5.916 11.217 1.00 0.00 H new ATOM 0 HA TYR A 11 1.606 -6.686 9.599 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.492 -7.357 12.024 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.806 -5.779 11.330 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.231 -7.226 13.010 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.744 -4.175 13.025 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.333 -6.163 14.929 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.647 -3.115 14.950 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.025 -3.178 16.391 1.00 0.00 H new ATOM 132 N GLY A 12 1.372 -9.153 10.419 1.00 0.00 N ATOM 133 CA GLY A 12 0.962 -10.541 10.529 1.00 0.00 C ATOM 134 C GLY A 12 1.943 -11.489 9.868 1.00 0.00 C ATOM 135 O GLY A 12 2.757 -11.075 9.042 1.00 0.00 O ATOM 0 H GLY A 12 2.339 -9.013 10.125 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.860 -10.804 11.582 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.021 -10.664 10.073 1.00 0.00 H new ATOM 139 N TYR A 13 1.867 -12.765 10.232 1.00 0.00 N ATOM 140 CA TYR A 13 2.758 -13.774 9.671 1.00 0.00 C ATOM 141 C TYR A 13 2.220 -14.298 8.343 1.00 0.00 C ATOM 142 O TYR A 13 1.196 -14.982 8.300 1.00 0.00 O ATOM 143 CB TYR A 13 2.935 -14.931 10.655 1.00 0.00 C ATOM 144 CG TYR A 13 4.081 -14.735 11.621 1.00 0.00 C ATOM 145 CD1 TYR A 13 4.274 -13.517 12.261 1.00 0.00 C ATOM 146 CD2 TYR A 13 4.971 -15.766 11.893 1.00 0.00 C ATOM 147 CE1 TYR A 13 5.320 -13.332 13.145 1.00 0.00 C ATOM 148 CE2 TYR A 13 6.019 -15.591 12.776 1.00 0.00 C ATOM 149 CZ TYR A 13 6.190 -14.372 13.399 1.00 0.00 C ATOM 150 OH TYR A 13 7.233 -14.193 14.278 1.00 0.00 O ATOM 0 H TYR A 13 1.198 -13.125 10.913 1.00 0.00 H new ATOM 0 HA TYR A 13 3.727 -13.308 9.491 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.012 -15.060 11.221 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.097 -15.852 10.095 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.595 -12.701 12.064 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.842 -16.721 11.406 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.456 -12.379 13.634 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.701 -16.404 12.977 1.00 0.00 H new ATOM 0 HH TYR A 13 7.750 -15.023 14.345 1.00 0.00 H new ATOM 160 N LEU A 14 2.917 -13.973 7.260 1.00 0.00 N ATOM 161 CA LEU A 14 2.512 -14.411 5.929 1.00 0.00 C ATOM 162 C LEU A 14 3.561 -15.333 5.316 1.00 0.00 C ATOM 163 O LEU A 14 4.700 -15.388 5.779 1.00 0.00 O ATOM 164 CB LEU A 14 2.285 -13.202 5.020 1.00 0.00 C ATOM 165 CG LEU A 14 1.445 -12.068 5.608 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.853 -10.733 5.005 1.00 0.00 C ATOM 167 CD2 LEU A 14 -0.037 -12.328 5.378 1.00 0.00 C ATOM 0 H LEU A 14 3.766 -13.407 7.277 1.00 0.00 H new ATOM 0 HA LEU A 14 1.579 -14.966 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.257 -12.798 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.804 -13.546 4.104 1.00 0.00 H new ATOM 0 HG LEU A 14 1.625 -12.028 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.244 -9.938 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.904 -10.542 5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.703 -10.760 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.620 -11.511 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.233 -12.395 4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.321 -13.264 5.858 1.00 0.00 H new ATOM 179 N MET A 15 3.169 -16.054 4.271 1.00 0.00 N ATOM 180 CA MET A 15 4.077 -16.972 3.592 1.00 0.00 C ATOM 181 C MET A 15 4.578 -16.371 2.282 1.00 0.00 C ATOM 182 O MET A 15 3.788 -16.031 1.401 1.00 0.00 O ATOM 183 CB MET A 15 3.380 -18.306 3.322 1.00 0.00 C ATOM 184 CG MET A 15 2.792 -18.948 4.567 1.00 0.00 C ATOM 185 SD MET A 15 2.590 -20.732 4.401 1.00 0.00 S ATOM 186 CE MET A 15 4.287 -21.281 4.563 1.00 0.00 C ATOM 0 H MET A 15 2.229 -16.021 3.876 1.00 0.00 H new ATOM 0 HA MET A 15 4.934 -17.144 4.243 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.584 -18.150 2.594 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.094 -18.995 2.871 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.438 -18.737 5.419 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.824 -18.495 4.782 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.332 -22.128 5.248 1.00 0.00 H new ATOM 0 HE2 MET A 15 4.666 -21.584 3.587 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.897 -20.466 4.953 1.00 0.00 H new ATOM 196 N LYS A 16 5.895 -16.244 2.160 1.00 0.00 N ATOM 197 CA LYS A 16 6.501 -15.686 0.957 1.00 0.00 C ATOM 198 C LYS A 16 7.205 -16.771 0.148 1.00 0.00 C ATOM 199 O LYS A 16 7.853 -17.655 0.710 1.00 0.00 O ATOM 200 CB LYS A 16 7.497 -14.584 1.328 1.00 0.00 C ATOM 201 CG LYS A 16 7.784 -13.617 0.193 1.00 0.00 C ATOM 202 CD LYS A 16 8.356 -12.307 0.708 1.00 0.00 C ATOM 203 CE LYS A 16 8.822 -11.415 -0.433 1.00 0.00 C ATOM 204 NZ LYS A 16 8.733 -9.971 -0.080 1.00 0.00 N ATOM 0 H LYS A 16 6.563 -16.520 2.880 1.00 0.00 H new ATOM 0 HA LYS A 16 5.707 -15.259 0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.108 -14.026 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.432 -15.044 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.486 -14.072 -0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.866 -13.421 -0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.600 -11.784 1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.193 -12.512 1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.852 -11.663 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.216 -11.611 -1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.572 -9.412 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.944 -9.823 0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.621 -9.668 0.368 1.00 0.00 H new ATOM 218 N TYR A 17 7.074 -16.697 -1.171 1.00 0.00 N ATOM 219 CA TYR A 17 7.697 -17.674 -2.057 1.00 0.00 C ATOM 220 C TYR A 17 9.194 -17.411 -2.192 1.00 0.00 C ATOM 221 O TYR A 17 9.610 -16.362 -2.686 1.00 0.00 O ATOM 222 CB TYR A 17 7.035 -17.639 -3.435 1.00 0.00 C ATOM 223 CG TYR A 17 7.055 -18.971 -4.151 1.00 0.00 C ATOM 224 CD1 TYR A 17 6.036 -19.897 -3.964 1.00 0.00 C ATOM 225 CD2 TYR A 17 8.093 -19.304 -5.012 1.00 0.00 C ATOM 226 CE1 TYR A 17 6.051 -21.116 -4.615 1.00 0.00 C ATOM 227 CE2 TYR A 17 8.115 -20.519 -5.668 1.00 0.00 C ATOM 228 CZ TYR A 17 7.092 -21.422 -5.467 1.00 0.00 C ATOM 229 OH TYR A 17 7.111 -22.634 -6.117 1.00 0.00 O ATOM 0 H TYR A 17 6.542 -15.971 -1.651 1.00 0.00 H new ATOM 0 HA TYR A 17 7.559 -18.663 -1.620 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.001 -17.311 -3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.540 -16.896 -4.053 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.219 -19.660 -3.299 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.897 -18.600 -5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.252 -21.825 -4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.929 -20.761 -6.335 1.00 0.00 H new ATOM 0 HH TYR A 17 7.572 -22.537 -6.976 1.00 0.00 H new ATOM 239 N THR A 18 9.999 -18.372 -1.750 1.00 0.00 N ATOM 240 CA THR A 18 11.450 -18.245 -1.821 1.00 0.00 C ATOM 241 C THR A 18 12.009 -18.992 -3.026 1.00 0.00 C ATOM 242 O THR A 18 12.867 -18.478 -3.743 1.00 0.00 O ATOM 243 CB THR A 18 12.123 -18.781 -0.543 1.00 0.00 C ATOM 244 OG1 THR A 18 13.528 -18.505 -0.577 1.00 0.00 O ATOM 245 CG2 THR A 18 11.898 -20.278 -0.399 1.00 0.00 C ATOM 0 H THR A 18 9.671 -19.246 -1.339 1.00 0.00 H new ATOM 0 HA THR A 18 11.670 -17.182 -1.922 1.00 0.00 H new ATOM 0 HB THR A 18 11.675 -18.279 0.315 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.980 -19.176 -1.130 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.383 -20.633 0.511 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.829 -20.482 -0.344 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.321 -20.794 -1.261 1.00 0.00 H new ATOM 253 N ASN A 19 11.516 -20.206 -3.246 1.00 0.00 N ATOM 254 CA ASN A 19 11.967 -21.024 -4.366 1.00 0.00 C ATOM 255 C ASN A 19 10.950 -22.114 -4.688 1.00 0.00 C ATOM 256 O ASN A 19 9.907 -22.217 -4.040 1.00 0.00 O ATOM 257 CB ASN A 19 13.325 -21.654 -4.051 1.00 0.00 C ATOM 258 CG ASN A 19 14.302 -20.656 -3.459 1.00 0.00 C ATOM 259 OD1 ASN A 19 14.366 -20.480 -2.242 1.00 0.00 O ATOM 260 ND2 ASN A 19 15.068 -19.997 -4.320 1.00 0.00 N ATOM 0 H ASN A 19 10.804 -20.646 -2.663 1.00 0.00 H new ATOM 0 HA ASN A 19 12.068 -20.378 -5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.186 -22.480 -3.353 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.748 -22.075 -4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.744 -19.312 -3.981 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.981 -20.175 -5.320 1.00 0.00 H new ATOM 267 N LEU A 20 11.260 -22.927 -5.692 1.00 0.00 N ATOM 268 CA LEU A 20 10.374 -24.012 -6.100 1.00 0.00 C ATOM 269 C LEU A 20 10.371 -25.132 -5.064 1.00 0.00 C ATOM 270 O LEU A 20 9.328 -25.477 -4.510 1.00 0.00 O ATOM 271 CB LEU A 20 10.802 -24.562 -7.461 1.00 0.00 C ATOM 272 CG LEU A 20 9.734 -25.329 -8.242 1.00 0.00 C ATOM 273 CD1 LEU A 20 9.934 -25.148 -9.738 1.00 0.00 C ATOM 274 CD2 LEU A 20 9.762 -26.805 -7.873 1.00 0.00 C ATOM 0 H LEU A 20 12.118 -22.856 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 20 9.363 -23.612 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.145 -23.729 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.657 -25.221 -7.311 1.00 0.00 H new ATOM 0 HG LEU A 20 8.757 -24.926 -7.976 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.165 -25.701 -10.277 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.864 -24.090 -9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.917 -25.524 -10.022 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.996 -27.336 -8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.741 -27.221 -8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.569 -26.917 -6.806 1.00 0.00 H new ATOM 286 N VAL A 21 11.547 -25.695 -4.806 1.00 0.00 N ATOM 287 CA VAL A 21 11.682 -26.774 -3.834 1.00 0.00 C ATOM 288 C VAL A 21 11.040 -26.397 -2.503 1.00 0.00 C ATOM 289 O VAL A 21 10.201 -27.129 -1.976 1.00 0.00 O ATOM 290 CB VAL A 21 13.160 -27.133 -3.595 1.00 0.00 C ATOM 291 CG1 VAL A 21 13.960 -25.891 -3.232 1.00 0.00 C ATOM 292 CG2 VAL A 21 13.282 -28.192 -2.510 1.00 0.00 C ATOM 0 H VAL A 21 12.420 -25.422 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 21 11.169 -27.641 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 21 13.570 -27.542 -4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.002 -26.165 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.899 -25.168 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.553 -25.449 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.333 -28.434 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.855 -27.812 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.745 -29.090 -2.816 1.00 0.00 H new ATOM 302 N THR A 22 11.440 -25.250 -1.963 1.00 0.00 N ATOM 303 CA THR A 22 10.905 -24.776 -0.693 1.00 0.00 C ATOM 304 C THR A 22 9.436 -24.390 -0.825 1.00 0.00 C ATOM 305 O THR A 22 8.667 -24.498 0.129 1.00 0.00 O ATOM 306 CB THR A 22 11.697 -23.564 -0.167 1.00 0.00 C ATOM 307 OG1 THR A 22 13.097 -23.755 -0.403 1.00 0.00 O ATOM 308 CG2 THR A 22 11.451 -23.362 1.320 1.00 0.00 C ATOM 0 H THR A 22 12.133 -24.632 -2.386 1.00 0.00 H new ATOM 0 HA THR A 22 11.000 -25.598 0.016 1.00 0.00 H new ATOM 0 HB THR A 22 11.357 -22.676 -0.699 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.594 -22.980 -0.068 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.020 -22.501 1.669 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.389 -23.189 1.493 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.767 -24.251 1.865 1.00 0.00 H new ATOM 316 N GLY A 23 9.052 -23.938 -2.016 1.00 0.00 N ATOM 317 CA GLY A 23 7.675 -23.543 -2.250 1.00 0.00 C ATOM 318 C GLY A 23 7.298 -22.283 -1.498 1.00 0.00 C ATOM 319 O GLY A 23 7.345 -21.184 -2.051 1.00 0.00 O ATOM 0 H GLY A 23 9.669 -23.839 -2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.522 -23.385 -3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.012 -24.354 -1.950 1.00 0.00 H new ATOM 323 N TRP A 24 6.921 -22.441 -0.234 1.00 0.00 N ATOM 324 CA TRP A 24 6.531 -21.305 0.594 1.00 0.00 C ATOM 325 C TRP A 24 7.262 -21.332 1.932 1.00 0.00 C ATOM 326 O TRP A 24 7.695 -22.389 2.391 1.00 0.00 O ATOM 327 CB TRP A 24 5.019 -21.311 0.825 1.00 0.00 C ATOM 328 CG TRP A 24 4.226 -21.141 -0.435 1.00 0.00 C ATOM 329 CD1 TRP A 24 4.052 -22.065 -1.425 1.00 0.00 C ATOM 330 CD2 TRP A 24 3.500 -19.975 -0.840 1.00 0.00 C ATOM 331 NE1 TRP A 24 3.262 -21.543 -2.422 1.00 0.00 N ATOM 332 CE2 TRP A 24 2.910 -20.263 -2.086 1.00 0.00 C ATOM 333 CE3 TRP A 24 3.290 -18.716 -0.270 1.00 0.00 C ATOM 334 CZ2 TRP A 24 2.126 -19.338 -2.770 1.00 0.00 C ATOM 335 CZ3 TRP A 24 2.512 -17.799 -0.950 1.00 0.00 C ATOM 336 CH2 TRP A 24 1.937 -18.113 -2.189 1.00 0.00 C ATOM 0 H TRP A 24 6.877 -23.343 0.239 1.00 0.00 H new ATOM 0 HA TRP A 24 6.807 -20.391 0.068 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.735 -22.250 1.301 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.761 -20.511 1.519 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.473 -23.060 -1.425 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.983 -22.030 -3.274 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.728 -18.465 0.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.683 -19.578 -3.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.344 -16.823 -0.519 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.333 -17.374 -2.695 1.00 0.00 H new ATOM 347 N GLN A 25 7.396 -20.164 2.552 1.00 0.00 N ATOM 348 CA GLN A 25 8.075 -20.056 3.838 1.00 0.00 C ATOM 349 C GLN A 25 7.417 -18.994 4.713 1.00 0.00 C ATOM 350 O GLN A 25 7.223 -17.856 4.286 1.00 0.00 O ATOM 351 CB GLN A 25 9.553 -19.719 3.631 1.00 0.00 C ATOM 352 CG GLN A 25 10.440 -20.943 3.475 1.00 0.00 C ATOM 353 CD GLN A 25 11.852 -20.708 3.974 1.00 0.00 C ATOM 354 OE1 GLN A 25 12.226 -19.583 4.307 1.00 0.00 O ATOM 355 NE2 GLN A 25 12.646 -21.771 4.027 1.00 0.00 N ATOM 0 H GLN A 25 7.044 -19.280 2.185 1.00 0.00 H new ATOM 0 HA GLN A 25 7.996 -21.018 4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.654 -19.092 2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.905 -19.131 4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.000 -21.778 4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.473 -21.231 2.424 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.294 -22.685 3.741 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.607 -21.674 4.354 1.00 0.00 H new ATOM 364 N TYR A 26 7.076 -19.374 5.939 1.00 0.00 N ATOM 365 CA TYR A 26 6.437 -18.456 6.874 1.00 0.00 C ATOM 366 C TYR A 26 7.404 -17.357 7.304 1.00 0.00 C ATOM 367 O TYR A 26 8.598 -17.598 7.479 1.00 0.00 O ATOM 368 CB TYR A 26 5.931 -19.215 8.102 1.00 0.00 C ATOM 369 CG TYR A 26 4.531 -19.761 7.942 1.00 0.00 C ATOM 370 CD1 TYR A 26 3.445 -18.908 7.786 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.293 -21.130 7.945 1.00 0.00 C ATOM 372 CE1 TYR A 26 2.163 -19.403 7.640 1.00 0.00 C ATOM 373 CE2 TYR A 26 3.015 -21.634 7.799 1.00 0.00 C ATOM 374 CZ TYR A 26 1.954 -20.766 7.647 1.00 0.00 C ATOM 375 OH TYR A 26 0.679 -21.263 7.500 1.00 0.00 O ATOM 0 H TYR A 26 7.231 -20.312 6.309 1.00 0.00 H new ATOM 0 HA TYR A 26 5.590 -17.993 6.368 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.611 -20.040 8.315 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.956 -18.550 8.965 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.606 -17.840 7.779 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.122 -21.812 8.064 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.330 -18.726 7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.848 -22.701 7.804 1.00 0.00 H new ATOM 0 HH TYR A 26 0.705 -22.242 7.526 1.00 0.00 H new ATOM 385 N ARG A 27 6.877 -16.148 7.474 1.00 0.00 N ATOM 386 CA ARG A 27 7.692 -15.010 7.883 1.00 0.00 C ATOM 387 C ARG A 27 6.834 -13.939 8.550 1.00 0.00 C ATOM 388 O ARG A 27 5.621 -14.098 8.690 1.00 0.00 O ATOM 389 CB ARG A 27 8.420 -14.417 6.676 1.00 0.00 C ATOM 390 CG ARG A 27 9.524 -15.308 6.131 1.00 0.00 C ATOM 391 CD ARG A 27 10.411 -14.560 5.148 1.00 0.00 C ATOM 392 NE ARG A 27 11.157 -15.469 4.282 1.00 0.00 N ATOM 393 CZ ARG A 27 11.830 -15.073 3.208 1.00 0.00 C ATOM 394 NH1 ARG A 27 11.851 -13.791 2.869 1.00 0.00 N ATOM 395 NH2 ARG A 27 12.485 -15.960 2.469 1.00 0.00 N ATOM 0 H ARG A 27 5.890 -15.932 7.335 1.00 0.00 H new ATOM 0 HA ARG A 27 8.428 -15.363 8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.696 -14.225 5.884 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.847 -13.455 6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.130 -15.684 6.956 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.083 -16.175 5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.797 -13.899 4.536 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.109 -13.929 5.698 1.00 0.00 H new ATOM 0 HE ARG A 27 11.161 -16.462 4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.349 -13.106 3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.369 -13.490 2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.472 -16.947 2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.002 -15.655 1.644 1.00 0.00 H new ATOM 409 N PHE A 28 7.473 -12.849 8.962 1.00 0.00 N ATOM 410 CA PHE A 28 6.769 -11.752 9.616 1.00 0.00 C ATOM 411 C PHE A 28 6.737 -10.516 8.722 1.00 0.00 C ATOM 412 O PHE A 28 7.707 -10.215 8.025 1.00 0.00 O ATOM 413 CB PHE A 28 7.437 -11.413 10.951 1.00 0.00 C ATOM 414 CG PHE A 28 6.794 -10.260 11.667 1.00 0.00 C ATOM 415 CD1 PHE A 28 5.438 -10.274 11.952 1.00 0.00 C ATOM 416 CD2 PHE A 28 7.545 -9.163 12.056 1.00 0.00 C ATOM 417 CE1 PHE A 28 4.844 -9.214 12.611 1.00 0.00 C ATOM 418 CE2 PHE A 28 6.956 -8.100 12.715 1.00 0.00 C ATOM 419 CZ PHE A 28 5.604 -8.126 12.994 1.00 0.00 C ATOM 0 H PHE A 28 8.477 -12.702 8.855 1.00 0.00 H new ATOM 0 HA PHE A 28 5.743 -12.071 9.801 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.409 -12.292 11.596 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.487 -11.180 10.774 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.839 -11.122 11.656 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.603 -9.138 11.842 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.786 -9.236 12.826 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.553 -7.250 13.011 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.142 -7.298 13.510 1.00 0.00 H new ATOM 429 N PHE A 29 5.616 -9.803 8.747 1.00 0.00 N ATOM 430 CA PHE A 29 5.456 -8.601 7.938 1.00 0.00 C ATOM 431 C PHE A 29 4.861 -7.464 8.765 1.00 0.00 C ATOM 432 O PHE A 29 4.101 -7.697 9.705 1.00 0.00 O ATOM 433 CB PHE A 29 4.563 -8.888 6.730 1.00 0.00 C ATOM 434 CG PHE A 29 5.177 -9.840 5.744 1.00 0.00 C ATOM 435 CD1 PHE A 29 5.192 -11.203 5.994 1.00 0.00 C ATOM 436 CD2 PHE A 29 5.739 -9.372 4.567 1.00 0.00 C ATOM 437 CE1 PHE A 29 5.757 -12.081 5.088 1.00 0.00 C ATOM 438 CE2 PHE A 29 6.305 -10.246 3.657 1.00 0.00 C ATOM 439 CZ PHE A 29 6.313 -11.602 3.918 1.00 0.00 C ATOM 0 H PHE A 29 4.805 -10.037 9.319 1.00 0.00 H new ATOM 0 HA PHE A 29 6.442 -8.296 7.588 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.615 -9.299 7.078 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.337 -7.949 6.224 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.758 -11.583 6.907 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.735 -8.312 4.358 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.764 -13.141 5.295 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.740 -9.869 2.743 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.753 -12.287 3.208 1.00 0.00 H new ATOM 449 N VAL A 30 5.214 -6.233 8.408 1.00 0.00 N ATOM 450 CA VAL A 30 4.716 -5.060 9.116 1.00 0.00 C ATOM 451 C VAL A 30 4.497 -3.893 8.159 1.00 0.00 C ATOM 452 O VAL A 30 5.452 -3.265 7.699 1.00 0.00 O ATOM 453 CB VAL A 30 5.687 -4.621 10.229 1.00 0.00 C ATOM 454 CG1 VAL A 30 5.166 -3.377 10.932 1.00 0.00 C ATOM 455 CG2 VAL A 30 5.904 -5.753 11.222 1.00 0.00 C ATOM 0 H VAL A 30 5.843 -6.023 7.633 1.00 0.00 H new ATOM 0 HA VAL A 30 3.764 -5.342 9.565 1.00 0.00 H new ATOM 0 HB VAL A 30 6.647 -4.377 9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.865 -3.082 11.715 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.066 -2.566 10.210 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.193 -3.590 11.375 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.592 -5.426 12.001 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.951 -6.030 11.672 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.325 -6.615 10.705 1.00 0.00 H new ATOM 465 N LEU A 31 3.234 -3.607 7.864 1.00 0.00 N ATOM 466 CA LEU A 31 2.888 -2.514 6.961 1.00 0.00 C ATOM 467 C LEU A 31 3.173 -1.162 7.608 1.00 0.00 C ATOM 468 O LEU A 31 3.101 -1.020 8.828 1.00 0.00 O ATOM 469 CB LEU A 31 1.414 -2.602 6.564 1.00 0.00 C ATOM 470 CG LEU A 31 0.850 -1.399 5.806 1.00 0.00 C ATOM 471 CD1 LEU A 31 1.171 -1.505 4.323 1.00 0.00 C ATOM 472 CD2 LEU A 31 -0.652 -1.289 6.022 1.00 0.00 C ATOM 0 H LEU A 31 2.432 -4.116 8.236 1.00 0.00 H new ATOM 0 HA LEU A 31 3.505 -2.605 6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.277 -3.491 5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.823 -2.746 7.468 1.00 0.00 H new ATOM 0 HG LEU A 31 1.320 -0.496 6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.762 -0.641 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.252 -1.534 4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.729 -2.416 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.036 -0.428 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.139 -2.195 5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.859 -1.166 7.085 1.00 0.00 H new ATOM 484 N ASN A 32 3.495 -0.172 6.782 1.00 0.00 N ATOM 485 CA ASN A 32 3.788 1.169 7.274 1.00 0.00 C ATOM 486 C ASN A 32 2.745 2.168 6.785 1.00 0.00 C ATOM 487 O ASN A 32 2.499 2.287 5.585 1.00 0.00 O ATOM 488 CB ASN A 32 5.183 1.607 6.821 1.00 0.00 C ATOM 489 CG ASN A 32 6.270 1.152 7.775 1.00 0.00 C ATOM 490 OD1 ASN A 32 6.102 0.176 8.505 1.00 0.00 O ATOM 491 ND2 ASN A 32 7.393 1.861 7.772 1.00 0.00 N ATOM 0 H ASN A 32 3.560 -0.273 5.769 1.00 0.00 H new ATOM 0 HA ASN A 32 3.758 1.144 8.363 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.383 1.204 5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.210 2.693 6.735 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.161 1.603 8.392 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.488 2.663 7.149 1.00 0.00 H new ATOM 498 N ASN A 33 2.135 2.886 7.723 1.00 0.00 N ATOM 499 CA ASN A 33 1.118 3.876 7.387 1.00 0.00 C ATOM 500 C ASN A 33 1.710 5.282 7.380 1.00 0.00 C ATOM 501 O ASN A 33 1.151 6.197 6.775 1.00 0.00 O ATOM 502 CB ASN A 33 -0.041 3.804 8.383 1.00 0.00 C ATOM 503 CG ASN A 33 -1.308 4.439 7.842 1.00 0.00 C ATOM 504 OD1 ASN A 33 -2.183 3.753 7.314 1.00 0.00 O ATOM 505 ND2 ASN A 33 -1.411 5.756 7.972 1.00 0.00 N ATOM 0 H ASN A 33 2.327 2.801 8.721 1.00 0.00 H new ATOM 0 HA ASN A 33 0.744 3.653 6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.238 2.761 8.632 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.247 4.304 9.308 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.241 6.239 7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.661 6.285 8.417 1.00 0.00 H new ATOM 512 N GLU A 34 2.843 5.446 8.055 1.00 0.00 N ATOM 513 CA GLU A 34 3.510 6.741 8.126 1.00 0.00 C ATOM 514 C GLU A 34 4.349 6.989 6.876 1.00 0.00 C ATOM 515 O GLU A 34 4.347 8.088 6.322 1.00 0.00 O ATOM 516 CB GLU A 34 4.394 6.816 9.372 1.00 0.00 C ATOM 517 CG GLU A 34 5.272 8.056 9.421 1.00 0.00 C ATOM 518 CD GLU A 34 4.590 9.227 10.100 1.00 0.00 C ATOM 519 OE1 GLU A 34 3.881 9.002 11.103 1.00 0.00 O ATOM 520 OE2 GLU A 34 4.764 10.370 9.628 1.00 0.00 O ATOM 0 H GLU A 34 3.318 4.698 8.561 1.00 0.00 H new ATOM 0 HA GLU A 34 2.744 7.514 8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.760 6.794 10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.028 5.930 9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.196 7.822 9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.549 8.341 8.406 1.00 0.00 H new ATOM 527 N ALA A 35 5.067 5.960 6.439 1.00 0.00 N ATOM 528 CA ALA A 35 5.911 6.065 5.255 1.00 0.00 C ATOM 529 C ALA A 35 5.213 5.483 4.030 1.00 0.00 C ATOM 530 O ALA A 35 5.246 6.068 2.948 1.00 0.00 O ATOM 531 CB ALA A 35 7.241 5.364 5.490 1.00 0.00 C ATOM 0 H ALA A 35 5.081 5.044 6.887 1.00 0.00 H new ATOM 0 HA ALA A 35 6.099 7.122 5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.861 5.451 4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.753 5.828 6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.064 4.311 5.708 1.00 0.00 H new ATOM 537 N GLY A 36 4.582 4.326 4.208 1.00 0.00 N ATOM 538 CA GLY A 36 3.886 3.684 3.108 1.00 0.00 C ATOM 539 C GLY A 36 4.735 2.636 2.418 1.00 0.00 C ATOM 540 O GLY A 36 4.659 2.468 1.200 1.00 0.00 O ATOM 0 H GLY A 36 4.540 3.822 5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.973 3.220 3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.585 4.439 2.382 1.00 0.00 H new ATOM 544 N LEU A 37 5.548 1.929 3.195 1.00 0.00 N ATOM 545 CA LEU A 37 6.418 0.892 2.651 1.00 0.00 C ATOM 546 C LEU A 37 6.145 -0.452 3.318 1.00 0.00 C ATOM 547 O LEU A 37 5.956 -0.528 4.533 1.00 0.00 O ATOM 548 CB LEU A 37 7.886 1.279 2.839 1.00 0.00 C ATOM 549 CG LEU A 37 8.504 2.127 1.727 1.00 0.00 C ATOM 550 CD1 LEU A 37 9.633 2.985 2.275 1.00 0.00 C ATOM 551 CD2 LEU A 37 9.006 1.239 0.597 1.00 0.00 C ATOM 0 H LEU A 37 5.623 2.055 4.204 1.00 0.00 H new ATOM 0 HA LEU A 37 6.208 0.798 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.980 1.823 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.472 0.365 2.940 1.00 0.00 H new ATOM 0 HG LEU A 37 7.734 2.788 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.061 3.582 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.244 3.646 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.405 2.343 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.443 1.859 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.761 0.554 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.174 0.668 0.186 1.00 0.00 H new ATOM 563 N LEU A 38 6.128 -1.512 2.517 1.00 0.00 N ATOM 564 CA LEU A 38 5.881 -2.855 3.030 1.00 0.00 C ATOM 565 C LEU A 38 7.187 -3.630 3.179 1.00 0.00 C ATOM 566 O LEU A 38 7.844 -3.953 2.190 1.00 0.00 O ATOM 567 CB LEU A 38 4.931 -3.611 2.100 1.00 0.00 C ATOM 568 CG LEU A 38 4.752 -5.101 2.389 1.00 0.00 C ATOM 569 CD1 LEU A 38 3.652 -5.318 3.417 1.00 0.00 C ATOM 570 CD2 LEU A 38 4.443 -5.860 1.107 1.00 0.00 C ATOM 0 H LEU A 38 6.282 -1.467 1.510 1.00 0.00 H new ATOM 0 HA LEU A 38 5.420 -2.762 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.953 -3.133 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.292 -3.501 1.077 1.00 0.00 H new ATOM 0 HG LEU A 38 5.686 -5.486 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.539 -6.385 3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.914 -4.808 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.713 -4.917 3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.319 -6.919 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.524 -5.472 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.264 -5.733 0.402 1.00 0.00 H new ATOM 582 N GLU A 39 7.555 -3.925 4.422 1.00 0.00 N ATOM 583 CA GLU A 39 8.782 -4.663 4.700 1.00 0.00 C ATOM 584 C GLU A 39 8.470 -6.027 5.310 1.00 0.00 C ATOM 585 O GLU A 39 7.310 -6.358 5.555 1.00 0.00 O ATOM 586 CB GLU A 39 9.681 -3.863 5.644 1.00 0.00 C ATOM 587 CG GLU A 39 9.579 -2.359 5.455 1.00 0.00 C ATOM 588 CD GLU A 39 10.458 -1.588 6.420 1.00 0.00 C ATOM 589 OE1 GLU A 39 10.788 -2.138 7.491 1.00 0.00 O ATOM 590 OE2 GLU A 39 10.816 -0.434 6.103 1.00 0.00 O ATOM 0 H GLU A 39 7.022 -3.665 5.252 1.00 0.00 H new ATOM 0 HA GLU A 39 9.305 -4.818 3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.422 -4.109 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.716 -4.170 5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.859 -2.105 4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.542 -2.050 5.587 1.00 0.00 H new ATOM 597 N TYR A 40 9.513 -6.813 5.550 1.00 0.00 N ATOM 598 CA TYR A 40 9.352 -8.141 6.128 1.00 0.00 C ATOM 599 C TYR A 40 10.661 -8.634 6.737 1.00 0.00 C ATOM 600 O TYR A 40 11.713 -8.583 6.100 1.00 0.00 O ATOM 601 CB TYR A 40 8.868 -9.128 5.064 1.00 0.00 C ATOM 602 CG TYR A 40 9.952 -9.562 4.104 1.00 0.00 C ATOM 603 CD1 TYR A 40 10.882 -10.530 4.465 1.00 0.00 C ATOM 604 CD2 TYR A 40 10.047 -9.005 2.834 1.00 0.00 C ATOM 605 CE1 TYR A 40 11.874 -10.929 3.591 1.00 0.00 C ATOM 606 CE2 TYR A 40 11.035 -9.399 1.953 1.00 0.00 C ATOM 607 CZ TYR A 40 11.947 -10.361 2.337 1.00 0.00 C ATOM 608 OH TYR A 40 12.933 -10.757 1.462 1.00 0.00 O ATOM 0 H TYR A 40 10.479 -6.553 5.353 1.00 0.00 H new ATOM 0 HA TYR A 40 8.606 -8.076 6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.457 -10.009 5.557 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.055 -8.671 4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.828 -10.978 5.446 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.336 -8.251 2.531 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.589 -11.682 3.888 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.094 -8.957 0.969 1.00 0.00 H new ATOM 0 HH TYR A 40 12.843 -10.261 0.622 1.00 0.00 H new ATOM 618 N PHE A 41 10.588 -9.111 7.975 1.00 0.00 N ATOM 619 CA PHE A 41 11.767 -9.613 8.672 1.00 0.00 C ATOM 620 C PHE A 41 11.593 -11.082 9.046 1.00 0.00 C ATOM 621 O PHE A 41 10.514 -11.506 9.458 1.00 0.00 O ATOM 622 CB PHE A 41 12.034 -8.783 9.930 1.00 0.00 C ATOM 623 CG PHE A 41 11.822 -7.309 9.732 1.00 0.00 C ATOM 624 CD1 PHE A 41 10.547 -6.768 9.765 1.00 0.00 C ATOM 625 CD2 PHE A 41 12.898 -6.465 9.512 1.00 0.00 C ATOM 626 CE1 PHE A 41 10.350 -5.412 9.583 1.00 0.00 C ATOM 627 CE2 PHE A 41 12.707 -5.108 9.329 1.00 0.00 C ATOM 628 CZ PHE A 41 11.431 -4.581 9.365 1.00 0.00 C ATOM 0 H PHE A 41 9.725 -9.161 8.516 1.00 0.00 H new ATOM 0 HA PHE A 41 12.620 -9.526 8.000 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.382 -9.131 10.731 1.00 0.00 H new ATOM 0 HB3 PHE A 41 13.060 -8.954 10.257 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.698 -7.413 9.935 1.00 0.00 H new ATOM 0 HD2 PHE A 41 13.898 -6.872 9.483 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.351 -5.003 9.611 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.555 -4.461 9.158 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.279 -3.521 9.223 1.00 0.00 H new ATOM 638 N VAL A 42 12.665 -11.854 8.897 1.00 0.00 N ATOM 639 CA VAL A 42 12.632 -13.276 9.219 1.00 0.00 C ATOM 640 C VAL A 42 11.739 -13.547 10.424 1.00 0.00 C ATOM 641 O VAL A 42 11.123 -14.606 10.528 1.00 0.00 O ATOM 642 CB VAL A 42 14.045 -13.818 9.509 1.00 0.00 C ATOM 643 CG1 VAL A 42 13.985 -15.291 9.883 1.00 0.00 C ATOM 644 CG2 VAL A 42 14.955 -13.601 8.310 1.00 0.00 C ATOM 0 H VAL A 42 13.566 -11.519 8.556 1.00 0.00 H new ATOM 0 HA VAL A 42 12.225 -13.788 8.347 1.00 0.00 H new ATOM 0 HB VAL A 42 14.459 -13.269 10.355 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.992 -15.657 10.084 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.369 -15.415 10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.551 -15.858 9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.949 -13.990 8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.547 -14.122 7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.023 -12.535 8.093 1.00 0.00 H new ATOM 654 N ASN A 43 11.673 -12.580 11.334 1.00 0.00 N ATOM 655 CA ASN A 43 10.855 -12.714 12.534 1.00 0.00 C ATOM 656 C ASN A 43 10.756 -11.385 13.276 1.00 0.00 C ATOM 657 O ASN A 43 11.550 -10.473 13.045 1.00 0.00 O ATOM 658 CB ASN A 43 11.438 -13.785 13.458 1.00 0.00 C ATOM 659 CG ASN A 43 12.946 -13.891 13.341 1.00 0.00 C ATOM 660 OD1 ASN A 43 13.487 -14.971 13.106 1.00 0.00 O ATOM 661 ND2 ASN A 43 13.632 -12.766 13.505 1.00 0.00 N ATOM 0 H ASN A 43 12.176 -11.696 11.263 1.00 0.00 H new ATOM 0 HA ASN A 43 9.853 -13.015 12.228 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.172 -13.555 14.490 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.989 -14.749 13.220 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.650 -12.775 13.438 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.141 -11.893 13.698 1.00 0.00 H new ATOM 668 N GLU A 44 9.777 -11.283 14.170 1.00 0.00 N ATOM 669 CA GLU A 44 9.576 -10.065 14.946 1.00 0.00 C ATOM 670 C GLU A 44 10.905 -9.523 15.462 1.00 0.00 C ATOM 671 O GLU A 44 11.245 -8.363 15.231 1.00 0.00 O ATOM 672 CB GLU A 44 8.631 -10.332 16.119 1.00 0.00 C ATOM 673 CG GLU A 44 7.812 -9.120 16.529 1.00 0.00 C ATOM 674 CD GLU A 44 7.123 -9.306 17.867 1.00 0.00 C ATOM 675 OE1 GLU A 44 7.831 -9.480 18.881 1.00 0.00 O ATOM 676 OE2 GLU A 44 5.875 -9.278 17.900 1.00 0.00 O ATOM 0 H GLU A 44 9.112 -12.028 14.374 1.00 0.00 H new ATOM 0 HA GLU A 44 9.129 -9.317 14.291 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.954 -11.144 15.852 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.215 -10.672 16.975 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.462 -8.247 16.578 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.063 -8.917 15.764 1.00 0.00 H new ATOM 683 N GLN A 45 11.651 -10.370 16.163 1.00 0.00 N ATOM 684 CA GLN A 45 12.943 -9.976 16.713 1.00 0.00 C ATOM 685 C GLN A 45 13.689 -9.060 15.749 1.00 0.00 C ATOM 686 O GLN A 45 14.317 -8.086 16.163 1.00 0.00 O ATOM 687 CB GLN A 45 13.790 -11.213 17.019 1.00 0.00 C ATOM 688 CG GLN A 45 13.475 -11.848 18.364 1.00 0.00 C ATOM 689 CD GLN A 45 11.998 -12.141 18.540 1.00 0.00 C ATOM 690 OE1 GLN A 45 11.372 -12.769 17.685 1.00 0.00 O ATOM 691 NE2 GLN A 45 11.433 -11.688 19.653 1.00 0.00 N ATOM 0 H GLN A 45 11.383 -11.334 16.364 1.00 0.00 H new ATOM 0 HA GLN A 45 12.763 -9.429 17.639 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.636 -11.952 16.233 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.844 -10.937 16.995 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.040 -12.775 18.465 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.807 -11.184 19.162 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.990 -11.172 20.334 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.442 -11.856 19.827 1.00 0.00 H new ATOM 700 N SER A 46 13.615 -9.379 14.460 1.00 0.00 N ATOM 701 CA SER A 46 14.287 -8.588 13.437 1.00 0.00 C ATOM 702 C SER A 46 13.509 -7.309 13.141 1.00 0.00 C ATOM 703 O SER A 46 13.275 -6.966 11.982 1.00 0.00 O ATOM 704 CB SER A 46 14.451 -9.406 12.155 1.00 0.00 C ATOM 705 OG SER A 46 15.468 -10.382 12.300 1.00 0.00 O ATOM 0 H SER A 46 13.096 -10.180 14.100 1.00 0.00 H new ATOM 0 HA SER A 46 15.273 -8.315 13.814 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.508 -9.893 11.907 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.695 -8.743 11.325 1.00 0.00 H new ATOM 0 HG SER A 46 15.552 -10.893 11.468 1.00 0.00 H new ATOM 711 N ARG A 47 13.110 -6.609 14.198 1.00 0.00 N ATOM 712 CA ARG A 47 12.357 -5.369 14.053 1.00 0.00 C ATOM 713 C ARG A 47 13.296 -4.182 13.858 1.00 0.00 C ATOM 714 O ARG A 47 13.241 -3.495 12.840 1.00 0.00 O ATOM 715 CB ARG A 47 11.472 -5.138 15.280 1.00 0.00 C ATOM 716 CG ARG A 47 10.078 -5.728 15.145 1.00 0.00 C ATOM 717 CD ARG A 47 9.097 -4.714 14.578 1.00 0.00 C ATOM 718 NE ARG A 47 9.420 -4.349 13.202 1.00 0.00 N ATOM 719 CZ ARG A 47 9.017 -3.221 12.626 1.00 0.00 C ATOM 720 NH1 ARG A 47 8.280 -2.354 13.305 1.00 0.00 N ATOM 721 NH2 ARG A 47 9.353 -2.960 11.369 1.00 0.00 N ATOM 0 H ARG A 47 13.296 -6.879 15.164 1.00 0.00 H new ATOM 0 HA ARG A 47 11.725 -5.458 13.170 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.958 -5.571 16.154 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.388 -4.066 15.460 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.113 -6.604 14.497 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.729 -6.067 16.120 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.088 -5.125 14.616 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.100 -3.819 15.201 1.00 0.00 H new ATOM 0 HE ARG A 47 9.986 -4.995 12.652 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.021 -2.552 14.272 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.972 -1.489 12.861 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.921 -3.625 10.844 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.043 -2.094 10.928 1.00 0.00 H new ATOM 735 N ASN A 48 14.156 -3.948 14.844 1.00 0.00 N ATOM 736 CA ASN A 48 15.107 -2.843 14.782 1.00 0.00 C ATOM 737 C ASN A 48 16.106 -3.048 13.647 1.00 0.00 C ATOM 738 O ASN A 48 16.448 -2.108 12.931 1.00 0.00 O ATOM 739 CB ASN A 48 15.850 -2.707 16.112 1.00 0.00 C ATOM 740 CG ASN A 48 17.154 -1.946 15.971 1.00 0.00 C ATOM 741 OD1 ASN A 48 18.200 -2.531 15.690 1.00 0.00 O ATOM 742 ND2 ASN A 48 17.097 -0.634 16.166 1.00 0.00 N ATOM 0 H ASN A 48 14.214 -4.508 15.695 1.00 0.00 H new ATOM 0 HA ASN A 48 14.549 -1.927 14.590 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.210 -2.196 16.832 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.053 -3.699 16.514 1.00 0.00 H new ATOM 0 HD21 ASN A 48 17.942 -0.069 16.085 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.208 -0.191 16.397 1.00 0.00 H new ATOM 749 N GLN A 49 16.569 -4.284 13.490 1.00 0.00 N ATOM 750 CA GLN A 49 17.529 -4.613 12.443 1.00 0.00 C ATOM 751 C GLN A 49 16.994 -4.217 11.071 1.00 0.00 C ATOM 752 O GLN A 49 15.808 -3.926 10.915 1.00 0.00 O ATOM 753 CB GLN A 49 17.850 -6.108 12.467 1.00 0.00 C ATOM 754 CG GLN A 49 19.255 -6.437 11.988 1.00 0.00 C ATOM 755 CD GLN A 49 20.296 -5.481 12.536 1.00 0.00 C ATOM 756 OE1 GLN A 49 20.340 -5.214 13.737 1.00 0.00 O ATOM 757 NE2 GLN A 49 21.143 -4.959 11.655 1.00 0.00 N ATOM 0 H GLN A 49 16.295 -5.074 14.074 1.00 0.00 H new ATOM 0 HA GLN A 49 18.443 -4.050 12.633 1.00 0.00 H new ATOM 0 HB2 GLN A 49 17.725 -6.482 13.483 1.00 0.00 H new ATOM 0 HB3 GLN A 49 17.129 -6.636 11.842 1.00 0.00 H new ATOM 0 HG2 GLN A 49 19.508 -7.454 12.287 1.00 0.00 H new ATOM 0 HG3 GLN A 49 19.279 -6.409 10.899 1.00 0.00 H new ATOM 0 HE21 GLN A 49 21.071 -5.208 10.669 1.00 0.00 H new ATOM 0 HE22 GLN A 49 21.866 -4.309 11.965 1.00 0.00 H new ATOM 766 N LYS A 50 17.877 -4.207 10.078 1.00 0.00 N ATOM 767 CA LYS A 50 17.495 -3.848 8.717 1.00 0.00 C ATOM 768 C LYS A 50 16.559 -4.895 8.120 1.00 0.00 C ATOM 769 O LYS A 50 16.767 -6.100 8.261 1.00 0.00 O ATOM 770 CB LYS A 50 18.739 -3.700 7.838 1.00 0.00 C ATOM 771 CG LYS A 50 18.451 -3.101 6.473 1.00 0.00 C ATOM 772 CD LYS A 50 18.266 -1.594 6.553 1.00 0.00 C ATOM 773 CE LYS A 50 19.601 -0.867 6.523 1.00 0.00 C ATOM 774 NZ LYS A 50 20.180 -0.716 7.887 1.00 0.00 N ATOM 0 H LYS A 50 18.863 -4.444 10.190 1.00 0.00 H new ATOM 0 HA LYS A 50 16.968 -2.894 8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.466 -3.073 8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.199 -4.679 7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.271 -3.332 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.553 -3.557 6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.648 -1.257 5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.732 -1.340 7.469 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.299 -1.415 5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.469 0.117 6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.610 0.227 7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.428 -0.825 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.907 -1.444 8.038 1.00 0.00 H new ATOM 788 N PRO A 51 15.504 -4.426 7.437 1.00 0.00 N ATOM 789 CA PRO A 51 14.517 -5.306 6.804 1.00 0.00 C ATOM 790 C PRO A 51 15.090 -6.049 5.602 1.00 0.00 C ATOM 791 O PRO A 51 15.768 -5.458 4.760 1.00 0.00 O ATOM 792 CB PRO A 51 13.415 -4.341 6.361 1.00 0.00 C ATOM 793 CG PRO A 51 14.103 -3.030 6.196 1.00 0.00 C ATOM 794 CD PRO A 51 15.194 -3.002 7.230 1.00 0.00 C ATOM 0 HA PRO A 51 14.172 -6.086 7.482 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.955 -4.667 5.428 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.620 -4.280 7.104 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.514 -2.929 5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.407 -2.203 6.340 1.00 0.00 H new ATOM 0 HD2 PRO A 51 16.065 -2.448 6.880 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.862 -2.525 8.152 1.00 0.00 H new ATOM 802 N ARG A 52 14.813 -7.347 5.527 1.00 0.00 N ATOM 803 CA ARG A 52 15.302 -8.170 4.427 1.00 0.00 C ATOM 804 C ARG A 52 14.930 -7.556 3.081 1.00 0.00 C ATOM 805 O ARG A 52 15.748 -7.502 2.164 1.00 0.00 O ATOM 806 CB ARG A 52 14.731 -9.586 4.530 1.00 0.00 C ATOM 807 CG ARG A 52 15.223 -10.354 5.745 1.00 0.00 C ATOM 808 CD ARG A 52 16.565 -11.018 5.480 1.00 0.00 C ATOM 809 NE ARG A 52 16.444 -12.149 4.563 1.00 0.00 N ATOM 810 CZ ARG A 52 17.480 -12.864 4.138 1.00 0.00 C ATOM 811 NH1 ARG A 52 18.706 -12.568 4.545 1.00 0.00 N ATOM 812 NH2 ARG A 52 17.289 -13.878 3.304 1.00 0.00 N ATOM 0 H ARG A 52 14.253 -7.851 6.214 1.00 0.00 H new ATOM 0 HA ARG A 52 16.389 -8.217 4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.643 -9.528 4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.993 -10.141 3.629 1.00 0.00 H new ATOM 0 HG2 ARG A 52 15.313 -9.676 6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.489 -11.112 6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.256 -10.285 5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.993 -11.359 6.422 1.00 0.00 H new ATOM 0 HE ARG A 52 15.514 -12.403 4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 52 18.856 -11.789 5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.499 -13.119 4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.347 -14.109 2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.084 -14.427 2.978 1.00 0.00 H new ATOM 826 N GLY A 53 13.688 -7.095 2.970 1.00 0.00 N ATOM 827 CA GLY A 53 13.228 -6.491 1.733 1.00 0.00 C ATOM 828 C GLY A 53 12.048 -5.564 1.943 1.00 0.00 C ATOM 829 O GLY A 53 11.335 -5.670 2.941 1.00 0.00 O ATOM 0 H GLY A 53 12.992 -7.129 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.047 -5.934 1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.948 -7.277 1.031 1.00 0.00 H new ATOM 833 N THR A 54 11.841 -4.649 1.001 1.00 0.00 N ATOM 834 CA THR A 54 10.741 -3.697 1.088 1.00 0.00 C ATOM 835 C THR A 54 10.080 -3.493 -0.270 1.00 0.00 C ATOM 836 O THR A 54 10.644 -3.849 -1.306 1.00 0.00 O ATOM 837 CB THR A 54 11.219 -2.334 1.624 1.00 0.00 C ATOM 838 OG1 THR A 54 11.929 -1.628 0.601 1.00 0.00 O ATOM 839 CG2 THR A 54 12.116 -2.515 2.839 1.00 0.00 C ATOM 0 H THR A 54 12.421 -4.547 0.168 1.00 0.00 H new ATOM 0 HA THR A 54 10.014 -4.118 1.782 1.00 0.00 H new ATOM 0 HB THR A 54 10.343 -1.757 1.922 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.228 -0.762 0.949 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.441 -1.539 3.200 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.563 -3.027 3.626 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.988 -3.108 2.563 1.00 0.00 H new ATOM 847 N LEU A 55 8.883 -2.918 -0.260 1.00 0.00 N ATOM 848 CA LEU A 55 8.145 -2.665 -1.493 1.00 0.00 C ATOM 849 C LEU A 55 7.270 -1.423 -1.360 1.00 0.00 C ATOM 850 O LEU A 55 6.526 -1.279 -0.390 1.00 0.00 O ATOM 851 CB LEU A 55 7.281 -3.876 -1.851 1.00 0.00 C ATOM 852 CG LEU A 55 6.477 -3.767 -3.147 1.00 0.00 C ATOM 853 CD1 LEU A 55 7.389 -3.913 -4.355 1.00 0.00 C ATOM 854 CD2 LEU A 55 5.374 -4.815 -3.180 1.00 0.00 C ATOM 0 H LEU A 55 8.402 -2.618 0.588 1.00 0.00 H new ATOM 0 HA LEU A 55 8.868 -2.493 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.928 -4.751 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.587 -4.057 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 55 6.015 -2.780 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.799 -3.833 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.142 -3.125 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.880 -4.886 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.812 -4.723 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.815 -5.810 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.703 -4.664 -2.334 1.00 0.00 H new ATOM 866 N GLN A 56 7.364 -0.531 -2.340 1.00 0.00 N ATOM 867 CA GLN A 56 6.579 0.698 -2.332 1.00 0.00 C ATOM 868 C GLN A 56 5.145 0.431 -2.776 1.00 0.00 C ATOM 869 O GLN A 56 4.909 -0.111 -3.857 1.00 0.00 O ATOM 870 CB GLN A 56 7.222 1.744 -3.245 1.00 0.00 C ATOM 871 CG GLN A 56 8.285 2.583 -2.554 1.00 0.00 C ATOM 872 CD GLN A 56 9.206 3.281 -3.536 1.00 0.00 C ATOM 873 OE1 GLN A 56 9.926 2.634 -4.297 1.00 0.00 O ATOM 874 NE2 GLN A 56 9.188 4.608 -3.523 1.00 0.00 N ATOM 0 H GLN A 56 7.976 -0.636 -3.150 1.00 0.00 H new ATOM 0 HA GLN A 56 6.558 1.080 -1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.669 1.241 -4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.445 2.403 -3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.801 3.328 -1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.876 1.945 -1.897 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.575 5.103 -2.875 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.787 5.132 -4.161 1.00 0.00 H new ATOM 883 N LEU A 57 4.190 0.814 -1.936 1.00 0.00 N ATOM 884 CA LEU A 57 2.777 0.616 -2.241 1.00 0.00 C ATOM 885 C LEU A 57 2.232 1.774 -3.071 1.00 0.00 C ATOM 886 O LEU A 57 1.378 1.582 -3.936 1.00 0.00 O ATOM 887 CB LEU A 57 1.971 0.475 -0.949 1.00 0.00 C ATOM 888 CG LEU A 57 2.181 -0.820 -0.164 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.537 -0.723 1.210 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.622 -2.007 -0.935 1.00 0.00 C ATOM 0 H LEU A 57 4.368 1.264 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 57 2.681 -0.301 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.216 1.314 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.912 0.560 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 57 3.252 -0.971 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.697 -1.654 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.984 0.102 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.467 -0.547 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.780 -2.920 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.554 -1.863 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.131 -2.089 -1.896 1.00 0.00 H new ATOM 902 N ALA A 58 2.733 2.975 -2.802 1.00 0.00 N ATOM 903 CA ALA A 58 2.299 4.163 -3.527 1.00 0.00 C ATOM 904 C ALA A 58 2.179 3.882 -5.021 1.00 0.00 C ATOM 905 O ALA A 58 3.158 3.976 -5.760 1.00 0.00 O ATOM 906 CB ALA A 58 3.263 5.314 -3.279 1.00 0.00 C ATOM 0 H ALA A 58 3.439 3.151 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 58 1.313 4.444 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.927 6.195 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.294 5.539 -2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.260 5.034 -3.620 1.00 0.00 H new ATOM 912 N GLY A 59 0.973 3.536 -5.459 1.00 0.00 N ATOM 913 CA GLY A 59 0.748 3.246 -6.863 1.00 0.00 C ATOM 914 C GLY A 59 0.892 1.770 -7.180 1.00 0.00 C ATOM 915 O GLY A 59 1.537 1.399 -8.160 1.00 0.00 O ATOM 0 H GLY A 59 0.147 3.451 -4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.251 3.579 -7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.455 3.815 -7.466 1.00 0.00 H new ATOM 919 N ALA A 60 0.290 0.927 -6.348 1.00 0.00 N ATOM 920 CA ALA A 60 0.353 -0.516 -6.545 1.00 0.00 C ATOM 921 C ALA A 60 -1.034 -1.098 -6.791 1.00 0.00 C ATOM 922 O ALA A 60 -2.046 -0.434 -6.565 1.00 0.00 O ATOM 923 CB ALA A 60 1.003 -1.185 -5.342 1.00 0.00 C ATOM 0 H ALA A 60 -0.247 1.218 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 60 0.961 -0.711 -7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.044 -2.262 -5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.014 -0.799 -5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.417 -0.973 -4.447 1.00 0.00 H new ATOM 929 N VAL A 61 -1.075 -2.343 -7.255 1.00 0.00 N ATOM 930 CA VAL A 61 -2.339 -3.015 -7.532 1.00 0.00 C ATOM 931 C VAL A 61 -2.439 -4.333 -6.771 1.00 0.00 C ATOM 932 O VAL A 61 -1.457 -5.066 -6.648 1.00 0.00 O ATOM 933 CB VAL A 61 -2.511 -3.290 -9.037 1.00 0.00 C ATOM 934 CG1 VAL A 61 -3.618 -4.307 -9.272 1.00 0.00 C ATOM 935 CG2 VAL A 61 -2.797 -1.997 -9.785 1.00 0.00 C ATOM 0 H VAL A 61 -0.247 -2.907 -7.447 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.132 -2.345 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.580 -3.707 -9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.725 -4.488 -10.342 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.367 -5.241 -8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.557 -3.922 -8.874 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.916 -2.210 -10.847 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.713 -1.549 -9.400 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.967 -1.304 -9.644 1.00 0.00 H new ATOM 945 N ILE A 62 -3.631 -4.627 -6.263 1.00 0.00 N ATOM 946 CA ILE A 62 -3.859 -5.858 -5.516 1.00 0.00 C ATOM 947 C ILE A 62 -4.804 -6.790 -6.266 1.00 0.00 C ATOM 948 O ILE A 62 -5.987 -6.490 -6.431 1.00 0.00 O ATOM 949 CB ILE A 62 -4.442 -5.569 -4.120 1.00 0.00 C ATOM 950 CG1 ILE A 62 -3.382 -4.927 -3.223 1.00 0.00 C ATOM 951 CG2 ILE A 62 -4.971 -6.849 -3.491 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.334 -3.419 -3.327 1.00 0.00 C ATOM 0 H ILE A 62 -4.453 -4.030 -6.355 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.889 -6.343 -5.403 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.272 -4.870 -4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.577 -5.205 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.404 -5.332 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.380 -6.628 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.754 -7.268 -4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.159 -7.569 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.560 -3.033 -2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.108 -3.132 -4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.299 -3.003 -3.038 1.00 0.00 H new ATOM 964 N SER A 63 -4.274 -7.922 -6.718 1.00 0.00 N ATOM 965 CA SER A 63 -5.070 -8.898 -7.454 1.00 0.00 C ATOM 966 C SER A 63 -5.108 -10.234 -6.717 1.00 0.00 C ATOM 967 O SER A 63 -4.240 -11.090 -6.887 1.00 0.00 O ATOM 968 CB SER A 63 -4.503 -9.094 -8.861 1.00 0.00 C ATOM 969 OG SER A 63 -5.424 -9.780 -9.691 1.00 0.00 O ATOM 0 H SER A 63 -3.297 -8.186 -6.588 1.00 0.00 H new ATOM 0 HA SER A 63 -6.088 -8.516 -7.531 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.266 -8.125 -9.299 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.570 -9.655 -8.806 1.00 0.00 H new ATOM 0 HG SER A 63 -5.039 -9.891 -10.585 1.00 0.00 H new ATOM 975 N PRO A 64 -6.138 -10.417 -5.878 1.00 0.00 N ATOM 976 CA PRO A 64 -6.316 -11.646 -5.099 1.00 0.00 C ATOM 977 C PRO A 64 -6.689 -12.838 -5.973 1.00 0.00 C ATOM 978 O PRO A 64 -7.479 -12.711 -6.908 1.00 0.00 O ATOM 979 CB PRO A 64 -7.465 -11.300 -4.148 1.00 0.00 C ATOM 980 CG PRO A 64 -8.226 -10.228 -4.848 1.00 0.00 C ATOM 981 CD PRO A 64 -7.210 -9.439 -5.627 1.00 0.00 C ATOM 0 HA PRO A 64 -5.398 -11.943 -4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.093 -12.169 -3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.091 -10.955 -3.184 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.980 -10.654 -5.510 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.750 -9.592 -4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.628 -9.053 -6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.847 -8.581 -5.061 1.00 0.00 H new ATOM 989 N SER A 65 -6.115 -13.996 -5.663 1.00 0.00 N ATOM 990 CA SER A 65 -6.385 -15.211 -6.423 1.00 0.00 C ATOM 991 C SER A 65 -7.803 -15.710 -6.163 1.00 0.00 C ATOM 992 O SER A 65 -8.520 -15.167 -5.323 1.00 0.00 O ATOM 993 CB SER A 65 -5.374 -16.300 -6.059 1.00 0.00 C ATOM 994 OG SER A 65 -5.820 -17.060 -4.950 1.00 0.00 O ATOM 0 H SER A 65 -5.460 -14.119 -4.891 1.00 0.00 H new ATOM 0 HA SER A 65 -6.290 -14.976 -7.483 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.218 -16.957 -6.915 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.411 -15.844 -5.828 1.00 0.00 H new ATOM 0 HG SER A 65 -5.349 -17.919 -4.932 1.00 0.00 H new ATOM 1000 N ASP A 66 -8.200 -16.749 -6.891 1.00 0.00 N ATOM 1001 CA ASP A 66 -9.532 -17.323 -6.740 1.00 0.00 C ATOM 1002 C ASP A 66 -9.448 -18.819 -6.450 1.00 0.00 C ATOM 1003 O ASP A 66 -10.202 -19.344 -5.631 1.00 0.00 O ATOM 1004 CB ASP A 66 -10.361 -17.082 -8.002 1.00 0.00 C ATOM 1005 CG ASP A 66 -10.726 -15.622 -8.184 1.00 0.00 C ATOM 1006 OD1 ASP A 66 -9.873 -14.854 -8.675 1.00 0.00 O ATOM 1007 OD2 ASP A 66 -11.865 -15.247 -7.834 1.00 0.00 O ATOM 0 H ASP A 66 -7.619 -17.210 -7.591 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.019 -16.833 -5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.801 -17.425 -8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.272 -17.678 -7.954 1.00 0.00 H new ATOM 1012 N GLU A 67 -8.528 -19.498 -7.127 1.00 0.00 N ATOM 1013 CA GLU A 67 -8.349 -20.933 -6.943 1.00 0.00 C ATOM 1014 C GLU A 67 -8.138 -21.270 -5.469 1.00 0.00 C ATOM 1015 O GLU A 67 -8.982 -21.909 -4.841 1.00 0.00 O ATOM 1016 CB GLU A 67 -7.159 -21.431 -7.766 1.00 0.00 C ATOM 1017 CG GLU A 67 -7.528 -21.847 -9.180 1.00 0.00 C ATOM 1018 CD GLU A 67 -6.405 -22.584 -9.883 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -5.323 -21.986 -10.060 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -6.608 -23.758 -10.257 1.00 0.00 O ATOM 0 H GLU A 67 -7.895 -19.078 -7.808 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.254 -21.433 -7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.406 -20.644 -7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.703 -22.279 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.412 -22.484 -9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.794 -20.962 -9.757 1.00 0.00 H new ATOM 1027 N ASP A 68 -7.007 -20.835 -4.925 1.00 0.00 N ATOM 1028 CA ASP A 68 -6.685 -21.090 -3.526 1.00 0.00 C ATOM 1029 C ASP A 68 -7.610 -20.303 -2.603 1.00 0.00 C ATOM 1030 O ASP A 68 -8.221 -19.316 -3.014 1.00 0.00 O ATOM 1031 CB ASP A 68 -5.228 -20.722 -3.241 1.00 0.00 C ATOM 1032 CG ASP A 68 -4.283 -21.887 -3.463 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -4.242 -22.791 -2.602 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -3.584 -21.895 -4.498 1.00 0.00 O ATOM 0 H ASP A 68 -6.298 -20.304 -5.431 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.828 -22.153 -3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.934 -19.892 -3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.138 -20.376 -2.211 1.00 0.00 H new ATOM 1039 N SER A 69 -7.710 -20.747 -1.354 1.00 0.00 N ATOM 1040 CA SER A 69 -8.565 -20.087 -0.374 1.00 0.00 C ATOM 1041 C SER A 69 -7.918 -18.803 0.134 1.00 0.00 C ATOM 1042 O SER A 69 -8.497 -17.720 0.034 1.00 0.00 O ATOM 1043 CB SER A 69 -8.852 -21.027 0.799 1.00 0.00 C ATOM 1044 OG SER A 69 -9.192 -22.324 0.342 1.00 0.00 O ATOM 0 H SER A 69 -7.210 -21.561 -0.997 1.00 0.00 H new ATOM 0 HA SER A 69 -9.505 -19.830 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.977 -21.084 1.446 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.667 -20.625 1.400 1.00 0.00 H new ATOM 0 HG SER A 69 -9.369 -22.906 1.111 1.00 0.00 H new ATOM 1050 N HIS A 70 -6.713 -18.931 0.681 1.00 0.00 N ATOM 1051 CA HIS A 70 -5.985 -17.781 1.206 1.00 0.00 C ATOM 1052 C HIS A 70 -4.775 -17.460 0.334 1.00 0.00 C ATOM 1053 O HIS A 70 -3.763 -18.160 0.376 1.00 0.00 O ATOM 1054 CB HIS A 70 -5.537 -18.047 2.643 1.00 0.00 C ATOM 1055 CG HIS A 70 -6.456 -18.957 3.398 1.00 0.00 C ATOM 1056 ND1 HIS A 70 -7.777 -19.209 3.244 1.00 0.00 N flip ATOM 1057 CD2 HIS A 70 -6.039 -19.737 4.457 1.00 0.00 C flip ATOM 1058 CE1 HIS A 70 -8.131 -20.127 4.202 1.00 0.00 C flip ATOM 1059 NE2 HIS A 70 -7.064 -20.430 4.920 1.00 0.00 N flip ATOM 0 H HIS A 70 -6.220 -19.819 0.772 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.656 -16.922 1.196 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.538 -18.483 2.629 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.463 -17.098 3.173 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.032 -19.775 4.846 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.121 -20.535 4.345 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -7.036 -21.087 5.699 1.00 0.00 H new ATOM 1068 N THR A 71 -4.887 -16.398 -0.458 1.00 0.00 N ATOM 1069 CA THR A 71 -3.803 -15.985 -1.341 1.00 0.00 C ATOM 1070 C THR A 71 -4.052 -14.589 -1.901 1.00 0.00 C ATOM 1071 O THR A 71 -5.195 -14.144 -2.002 1.00 0.00 O ATOM 1072 CB THR A 71 -3.626 -16.971 -2.511 1.00 0.00 C ATOM 1073 OG1 THR A 71 -3.896 -18.307 -2.071 1.00 0.00 O ATOM 1074 CG2 THR A 71 -2.216 -16.893 -3.076 1.00 0.00 C ATOM 0 H THR A 71 -5.718 -15.808 -0.506 1.00 0.00 H new ATOM 0 HA THR A 71 -2.893 -15.976 -0.742 1.00 0.00 H new ATOM 0 HB THR A 71 -4.331 -16.698 -3.297 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.362 -18.503 -1.273 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.115 -17.598 -3.901 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.024 -15.883 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.497 -17.142 -2.296 1.00 0.00 H new ATOM 1082 N PHE A 72 -2.974 -13.902 -2.264 1.00 0.00 N ATOM 1083 CA PHE A 72 -3.075 -12.556 -2.814 1.00 0.00 C ATOM 1084 C PHE A 72 -1.727 -12.086 -3.355 1.00 0.00 C ATOM 1085 O PHE A 72 -0.673 -12.478 -2.853 1.00 0.00 O ATOM 1086 CB PHE A 72 -3.575 -11.582 -1.745 1.00 0.00 C ATOM 1087 CG PHE A 72 -2.704 -11.533 -0.523 1.00 0.00 C ATOM 1088 CD1 PHE A 72 -2.769 -12.537 0.430 1.00 0.00 C ATOM 1089 CD2 PHE A 72 -1.820 -10.485 -0.327 1.00 0.00 C ATOM 1090 CE1 PHE A 72 -1.969 -12.494 1.556 1.00 0.00 C ATOM 1091 CE2 PHE A 72 -1.017 -10.437 0.797 1.00 0.00 C ATOM 1092 CZ PHE A 72 -1.091 -11.444 1.739 1.00 0.00 C ATOM 0 H PHE A 72 -2.020 -14.256 -2.187 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.789 -12.580 -3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.638 -10.583 -2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.585 -11.866 -1.450 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.452 -13.362 0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.757 -9.696 -1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.030 -13.281 2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.333 -9.613 0.938 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.463 -11.410 2.617 1.00 0.00 H new ATOM 1102 N THR A 73 -1.769 -11.244 -4.383 1.00 0.00 N ATOM 1103 CA THR A 73 -0.553 -10.722 -4.993 1.00 0.00 C ATOM 1104 C THR A 73 -0.524 -9.199 -4.945 1.00 0.00 C ATOM 1105 O THR A 73 -1.476 -8.536 -5.358 1.00 0.00 O ATOM 1106 CB THR A 73 -0.419 -11.181 -6.458 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.611 -10.861 -7.183 1.00 0.00 O ATOM 1108 CG2 THR A 73 -0.158 -12.678 -6.534 1.00 0.00 C ATOM 0 H THR A 73 -2.632 -10.909 -4.810 1.00 0.00 H new ATOM 0 HA THR A 73 0.284 -11.117 -4.418 1.00 0.00 H new ATOM 0 HB THR A 73 0.427 -10.658 -6.904 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.377 -11.307 -6.765 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.067 -12.979 -7.578 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.766 -12.913 -6.007 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.986 -13.216 -6.072 1.00 0.00 H new ATOM 1116 N VAL A 74 0.575 -8.648 -4.438 1.00 0.00 N ATOM 1117 CA VAL A 74 0.728 -7.202 -4.338 1.00 0.00 C ATOM 1118 C VAL A 74 1.670 -6.674 -5.414 1.00 0.00 C ATOM 1119 O VAL A 74 2.890 -6.724 -5.264 1.00 0.00 O ATOM 1120 CB VAL A 74 1.264 -6.789 -2.954 1.00 0.00 C ATOM 1121 CG1 VAL A 74 1.472 -5.284 -2.889 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.318 -7.253 -1.857 1.00 0.00 C ATOM 0 H VAL A 74 1.372 -9.182 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.262 -6.768 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 74 2.229 -7.271 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.851 -5.011 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.191 -4.983 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.523 -4.778 -3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.712 -6.953 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.662 -6.801 -2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.226 -8.339 -1.891 1.00 0.00 H new ATOM 1132 N ASN A 75 1.095 -6.166 -6.499 1.00 0.00 N ATOM 1133 CA ASN A 75 1.883 -5.628 -7.602 1.00 0.00 C ATOM 1134 C ASN A 75 2.525 -4.299 -7.213 1.00 0.00 C ATOM 1135 O ASN A 75 2.341 -3.811 -6.099 1.00 0.00 O ATOM 1136 CB ASN A 75 1.005 -5.440 -8.840 1.00 0.00 C ATOM 1137 CG ASN A 75 0.953 -6.684 -9.706 1.00 0.00 C ATOM 1138 OD1 ASN A 75 1.834 -6.915 -10.534 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -0.084 -7.492 -9.519 1.00 0.00 N ATOM 0 H ASN A 75 0.086 -6.116 -6.638 1.00 0.00 H new ATOM 0 HA ASN A 75 2.675 -6.341 -7.832 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.005 -5.175 -8.529 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.386 -4.606 -9.429 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.173 -8.344 -10.073 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.791 -7.261 -8.821 1.00 0.00 H new ATOM 1146 N ALA A 76 3.279 -3.719 -8.141 1.00 0.00 N ATOM 1147 CA ALA A 76 3.946 -2.446 -7.898 1.00 0.00 C ATOM 1148 C ALA A 76 3.905 -1.558 -9.137 1.00 0.00 C ATOM 1149 O ALA A 76 3.833 -2.051 -10.262 1.00 0.00 O ATOM 1150 CB ALA A 76 5.385 -2.679 -7.461 1.00 0.00 C ATOM 0 H ALA A 76 3.443 -4.111 -9.068 1.00 0.00 H new ATOM 0 HA ALA A 76 3.413 -1.932 -7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.871 -1.720 -7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.396 -3.267 -6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.920 -3.217 -8.243 1.00 0.00 H new ATOM 1156 N ALA A 77 3.950 -0.248 -8.922 1.00 0.00 N ATOM 1157 CA ALA A 77 3.919 0.708 -10.022 1.00 0.00 C ATOM 1158 C ALA A 77 5.008 0.404 -11.044 1.00 0.00 C ATOM 1159 O ALA A 77 4.763 0.422 -12.251 1.00 0.00 O ATOM 1160 CB ALA A 77 4.070 2.127 -9.493 1.00 0.00 C ATOM 0 H ALA A 77 4.008 0.176 -7.996 1.00 0.00 H new ATOM 0 HA ALA A 77 2.954 0.619 -10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.045 2.830 -10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.253 2.348 -8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.020 2.220 -8.968 1.00 0.00 H new ATOM 1166 N SER A 78 6.212 0.126 -10.555 1.00 0.00 N ATOM 1167 CA SER A 78 7.341 -0.178 -11.427 1.00 0.00 C ATOM 1168 C SER A 78 7.052 -1.410 -12.279 1.00 0.00 C ATOM 1169 O SER A 78 7.262 -1.403 -13.491 1.00 0.00 O ATOM 1170 CB SER A 78 8.607 -0.402 -10.598 1.00 0.00 C ATOM 1171 OG SER A 78 9.769 -0.280 -11.400 1.00 0.00 O ATOM 0 H SER A 78 6.431 0.105 -9.559 1.00 0.00 H new ATOM 0 HA SER A 78 7.496 0.673 -12.090 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.645 0.322 -9.784 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.577 -1.392 -10.143 1.00 0.00 H new ATOM 0 HG SER A 78 10.565 -0.426 -10.847 1.00 0.00 H new ATOM 1177 N GLY A 79 6.569 -2.468 -11.635 1.00 0.00 N ATOM 1178 CA GLY A 79 6.259 -3.693 -12.348 1.00 0.00 C ATOM 1179 C GLY A 79 6.726 -4.930 -11.606 1.00 0.00 C ATOM 1180 O GLY A 79 7.248 -5.865 -12.213 1.00 0.00 O ATOM 0 H GLY A 79 6.387 -2.498 -10.632 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.183 -3.754 -12.508 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.727 -3.665 -13.332 1.00 0.00 H new ATOM 1184 N GLU A 80 6.540 -4.934 -10.290 1.00 0.00 N ATOM 1185 CA GLU A 80 6.949 -6.065 -9.465 1.00 0.00 C ATOM 1186 C GLU A 80 5.758 -6.643 -8.705 1.00 0.00 C ATOM 1187 O GLU A 80 4.867 -5.910 -8.278 1.00 0.00 O ATOM 1188 CB GLU A 80 8.038 -5.638 -8.479 1.00 0.00 C ATOM 1189 CG GLU A 80 8.808 -6.803 -7.881 1.00 0.00 C ATOM 1190 CD GLU A 80 9.782 -7.424 -8.863 1.00 0.00 C ATOM 1191 OE1 GLU A 80 10.821 -6.793 -9.148 1.00 0.00 O ATOM 1192 OE2 GLU A 80 9.505 -8.543 -9.345 1.00 0.00 O ATOM 0 H GLU A 80 6.109 -4.168 -9.773 1.00 0.00 H new ATOM 0 HA GLU A 80 7.347 -6.837 -10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.737 -4.974 -8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.582 -5.063 -7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.353 -6.460 -7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.104 -7.564 -7.543 1.00 0.00 H new ATOM 1199 N GLN A 81 5.751 -7.962 -8.543 1.00 0.00 N ATOM 1200 CA GLN A 81 4.670 -8.639 -7.837 1.00 0.00 C ATOM 1201 C GLN A 81 5.202 -9.401 -6.628 1.00 0.00 C ATOM 1202 O GLN A 81 6.317 -9.923 -6.653 1.00 0.00 O ATOM 1203 CB GLN A 81 3.939 -9.598 -8.778 1.00 0.00 C ATOM 1204 CG GLN A 81 2.751 -10.294 -8.134 1.00 0.00 C ATOM 1205 CD GLN A 81 2.198 -11.416 -8.991 1.00 0.00 C ATOM 1206 OE1 GLN A 81 2.489 -12.590 -8.760 1.00 0.00 O ATOM 1207 NE2 GLN A 81 1.394 -11.061 -9.986 1.00 0.00 N ATOM 0 H GLN A 81 6.482 -8.583 -8.891 1.00 0.00 H new ATOM 0 HA GLN A 81 3.969 -7.881 -7.486 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.595 -9.045 -9.652 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.642 -10.351 -9.134 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.051 -10.695 -7.166 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.964 -9.563 -7.947 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.179 -10.076 -10.142 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.991 -11.773 -10.595 1.00 0.00 H new ATOM 1216 N TYR A 82 4.399 -9.461 -5.572 1.00 0.00 N ATOM 1217 CA TYR A 82 4.791 -10.157 -4.352 1.00 0.00 C ATOM 1218 C TYR A 82 3.850 -11.323 -4.064 1.00 0.00 C ATOM 1219 O TYR A 82 2.631 -11.157 -4.018 1.00 0.00 O ATOM 1220 CB TYR A 82 4.798 -9.189 -3.167 1.00 0.00 C ATOM 1221 CG TYR A 82 6.120 -8.482 -2.972 1.00 0.00 C ATOM 1222 CD1 TYR A 82 6.831 -7.985 -4.058 1.00 0.00 C ATOM 1223 CD2 TYR A 82 6.659 -8.311 -1.703 1.00 0.00 C ATOM 1224 CE1 TYR A 82 8.040 -7.338 -3.884 1.00 0.00 C ATOM 1225 CE2 TYR A 82 7.866 -7.664 -1.520 1.00 0.00 C ATOM 1226 CZ TYR A 82 8.552 -7.180 -2.613 1.00 0.00 C ATOM 1227 OH TYR A 82 9.756 -6.536 -2.436 1.00 0.00 O ATOM 0 H TYR A 82 3.472 -9.036 -5.536 1.00 0.00 H new ATOM 0 HA TYR A 82 5.797 -10.552 -4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.015 -8.445 -3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.551 -9.738 -2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.432 -8.106 -5.054 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.125 -8.691 -0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.581 -6.958 -4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.270 -7.538 -0.526 1.00 0.00 H new ATOM 0 HH TYR A 82 9.974 -6.507 -1.481 1.00 0.00 H new ATOM 1237 N LYS A 83 4.426 -12.505 -3.871 1.00 0.00 N ATOM 1238 CA LYS A 83 3.642 -13.701 -3.585 1.00 0.00 C ATOM 1239 C LYS A 83 3.550 -13.945 -2.082 1.00 0.00 C ATOM 1240 O LYS A 83 4.455 -14.526 -1.481 1.00 0.00 O ATOM 1241 CB LYS A 83 4.262 -14.919 -4.274 1.00 0.00 C ATOM 1242 CG LYS A 83 3.346 -16.130 -4.309 1.00 0.00 C ATOM 1243 CD LYS A 83 3.868 -17.196 -5.258 1.00 0.00 C ATOM 1244 CE LYS A 83 3.482 -16.897 -6.698 1.00 0.00 C ATOM 1245 NZ LYS A 83 4.394 -17.567 -7.667 1.00 0.00 N ATOM 0 H LYS A 83 5.433 -12.660 -3.907 1.00 0.00 H new ATOM 0 HA LYS A 83 2.635 -13.546 -3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.533 -14.650 -5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.185 -15.187 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.254 -16.547 -3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.347 -15.823 -4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.953 -17.258 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.471 -18.169 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.458 -17.226 -6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.504 -15.820 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.098 -17.339 -8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.367 -17.234 -7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.354 -18.597 -7.526 1.00 0.00 H new ATOM 1259 N LEU A 84 2.453 -13.499 -1.481 1.00 0.00 N ATOM 1260 CA LEU A 84 2.242 -13.671 -0.048 1.00 0.00 C ATOM 1261 C LEU A 84 0.971 -14.471 0.223 1.00 0.00 C ATOM 1262 O LEU A 84 0.162 -14.693 -0.677 1.00 0.00 O ATOM 1263 CB LEU A 84 2.158 -12.309 0.642 1.00 0.00 C ATOM 1264 CG LEU A 84 3.251 -11.304 0.278 1.00 0.00 C ATOM 1265 CD1 LEU A 84 2.986 -9.962 0.943 1.00 0.00 C ATOM 1266 CD2 LEU A 84 4.620 -11.837 0.676 1.00 0.00 C ATOM 0 H LEU A 84 1.696 -13.015 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 84 3.090 -14.224 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.191 -11.864 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.183 -12.468 1.720 1.00 0.00 H new ATOM 0 HG LEU A 84 3.239 -11.160 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.774 -9.260 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.024 -9.574 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.970 -10.089 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.386 -11.109 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.644 -12.011 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.812 -12.773 0.152 1.00 0.00 H new ATOM 1278 N ARG A 85 0.803 -14.898 1.470 1.00 0.00 N ATOM 1279 CA ARG A 85 -0.370 -15.672 1.861 1.00 0.00 C ATOM 1280 C ARG A 85 -0.817 -15.307 3.273 1.00 0.00 C ATOM 1281 O ARG A 85 0.009 -15.092 4.160 1.00 0.00 O ATOM 1282 CB ARG A 85 -0.069 -17.169 1.781 1.00 0.00 C ATOM 1283 CG ARG A 85 -1.272 -18.049 2.081 1.00 0.00 C ATOM 1284 CD ARG A 85 -1.183 -19.381 1.353 1.00 0.00 C ATOM 1285 NE ARG A 85 -2.447 -20.111 1.391 1.00 0.00 N ATOM 1286 CZ ARG A 85 -2.621 -21.310 0.846 1.00 0.00 C ATOM 1287 NH1 ARG A 85 -1.616 -21.910 0.224 1.00 0.00 N ATOM 1288 NH2 ARG A 85 -3.802 -21.910 0.922 1.00 0.00 N ATOM 0 H ARG A 85 1.464 -14.721 2.227 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.178 -15.433 1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.302 -17.404 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.730 -17.408 2.483 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.338 -18.224 3.155 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.185 -17.532 1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.895 -19.209 0.316 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.399 -19.989 1.805 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.240 -19.676 1.862 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.707 -21.451 0.163 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.752 -22.831 -0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.578 -21.451 1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.934 -22.831 0.503 1.00 0.00 H new ATOM 1302 N ALA A 86 -2.129 -15.237 3.474 1.00 0.00 N ATOM 1303 CA ALA A 86 -2.685 -14.900 4.779 1.00 0.00 C ATOM 1304 C ALA A 86 -2.883 -16.148 5.631 1.00 0.00 C ATOM 1305 O ALA A 86 -2.925 -17.266 5.114 1.00 0.00 O ATOM 1306 CB ALA A 86 -4.002 -14.156 4.614 1.00 0.00 C ATOM 0 H ALA A 86 -2.827 -15.409 2.750 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.975 -14.252 5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.407 -13.910 5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.833 -13.238 4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.711 -14.786 4.077 1.00 0.00 H new ATOM 1312 N THR A 87 -3.006 -15.953 6.940 1.00 0.00 N ATOM 1313 CA THR A 87 -3.198 -17.063 7.864 1.00 0.00 C ATOM 1314 C THR A 87 -4.452 -17.857 7.517 1.00 0.00 C ATOM 1315 O THR A 87 -4.418 -19.084 7.430 1.00 0.00 O ATOM 1316 CB THR A 87 -3.302 -16.571 9.320 1.00 0.00 C ATOM 1317 OG1 THR A 87 -3.301 -17.688 10.216 1.00 0.00 O ATOM 1318 CG2 THR A 87 -4.568 -15.752 9.525 1.00 0.00 C ATOM 0 H THR A 87 -2.976 -15.035 7.384 1.00 0.00 H new ATOM 0 HA THR A 87 -2.325 -17.708 7.768 1.00 0.00 H new ATOM 0 HB THR A 87 -2.440 -15.937 9.529 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.366 -17.367 11.140 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.620 -15.415 10.560 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.553 -14.887 8.862 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.439 -16.367 9.299 1.00 0.00 H new ATOM 1326 N ASP A 88 -5.558 -17.148 7.318 1.00 0.00 N ATOM 1327 CA ASP A 88 -6.825 -17.787 6.978 1.00 0.00 C ATOM 1328 C ASP A 88 -7.654 -16.895 6.059 1.00 0.00 C ATOM 1329 O ASP A 88 -7.397 -15.697 5.944 1.00 0.00 O ATOM 1330 CB ASP A 88 -7.615 -18.108 8.247 1.00 0.00 C ATOM 1331 CG ASP A 88 -7.907 -16.873 9.076 1.00 0.00 C ATOM 1332 OD1 ASP A 88 -7.792 -15.754 8.533 1.00 0.00 O ATOM 1333 OD2 ASP A 88 -8.248 -17.025 10.268 1.00 0.00 O ATOM 0 H ASP A 88 -5.603 -16.131 7.386 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.606 -18.716 6.451 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.554 -18.589 7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.054 -18.822 8.850 1.00 0.00 H new ATOM 1338 N ALA A 89 -8.648 -17.488 5.407 1.00 0.00 N ATOM 1339 CA ALA A 89 -9.515 -16.747 4.499 1.00 0.00 C ATOM 1340 C ALA A 89 -10.067 -15.493 5.168 1.00 0.00 C ATOM 1341 O ALA A 89 -10.203 -14.446 4.534 1.00 0.00 O ATOM 1342 CB ALA A 89 -10.653 -17.633 4.015 1.00 0.00 C ATOM 0 H ALA A 89 -8.873 -18.479 5.490 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.920 -16.437 3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.292 -17.067 3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.244 -18.497 3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.239 -17.971 4.869 1.00 0.00 H new ATOM 1348 N LYS A 90 -10.385 -15.605 6.454 1.00 0.00 N ATOM 1349 CA LYS A 90 -10.922 -14.480 7.211 1.00 0.00 C ATOM 1350 C LYS A 90 -9.933 -13.319 7.234 1.00 0.00 C ATOM 1351 O LYS A 90 -10.331 -12.155 7.279 1.00 0.00 O ATOM 1352 CB LYS A 90 -11.251 -14.912 8.641 1.00 0.00 C ATOM 1353 CG LYS A 90 -11.882 -13.814 9.478 1.00 0.00 C ATOM 1354 CD LYS A 90 -12.259 -14.314 10.863 1.00 0.00 C ATOM 1355 CE LYS A 90 -12.587 -13.163 11.801 1.00 0.00 C ATOM 1356 NZ LYS A 90 -13.754 -12.372 11.322 1.00 0.00 N ATOM 0 H LYS A 90 -10.280 -16.464 6.994 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.836 -14.146 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.928 -15.766 8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.337 -15.249 9.129 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.187 -12.979 9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.771 -13.435 8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.118 -14.980 10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.437 -14.898 11.276 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.798 -13.554 12.796 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.719 -12.510 11.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.988 -11.639 12.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.519 -11.922 10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.572 -13.002 11.194 1.00 0.00 H new ATOM 1370 N GLU A 91 -8.644 -13.644 7.202 1.00 0.00 N ATOM 1371 CA GLU A 91 -7.600 -12.626 7.219 1.00 0.00 C ATOM 1372 C GLU A 91 -7.276 -12.155 5.805 1.00 0.00 C ATOM 1373 O GLU A 91 -7.117 -10.959 5.558 1.00 0.00 O ATOM 1374 CB GLU A 91 -6.337 -13.171 7.889 1.00 0.00 C ATOM 1375 CG GLU A 91 -5.213 -12.153 7.988 1.00 0.00 C ATOM 1376 CD GLU A 91 -4.277 -12.429 9.149 1.00 0.00 C ATOM 1377 OE1 GLU A 91 -4.760 -12.497 10.298 1.00 0.00 O ATOM 1378 OE2 GLU A 91 -3.060 -12.576 8.907 1.00 0.00 O ATOM 0 H GLU A 91 -8.298 -14.603 7.164 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.968 -11.774 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.589 -13.520 8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.984 -14.037 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.643 -12.155 7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.639 -11.156 8.099 1.00 0.00 H new ATOM 1385 N ARG A 92 -7.180 -13.104 4.879 1.00 0.00 N ATOM 1386 CA ARG A 92 -6.873 -12.787 3.489 1.00 0.00 C ATOM 1387 C ARG A 92 -7.510 -11.462 3.080 1.00 0.00 C ATOM 1388 O ARG A 92 -6.841 -10.583 2.539 1.00 0.00 O ATOM 1389 CB ARG A 92 -7.363 -13.906 2.569 1.00 0.00 C ATOM 1390 CG ARG A 92 -6.881 -13.770 1.134 1.00 0.00 C ATOM 1391 CD ARG A 92 -7.832 -12.921 0.305 1.00 0.00 C ATOM 1392 NE ARG A 92 -9.164 -13.514 0.220 1.00 0.00 N ATOM 1393 CZ ARG A 92 -9.461 -14.544 -0.565 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -8.525 -15.092 -1.328 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -10.696 -15.028 -0.586 1.00 0.00 N ATOM 0 H ARG A 92 -7.310 -14.098 5.066 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.791 -12.695 3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.028 -14.864 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.453 -13.921 2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.888 -13.321 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.789 -14.759 0.685 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.906 -11.926 0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.426 -12.797 -0.699 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.907 -13.116 0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.574 -14.723 -1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.756 -15.883 -1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.418 -14.609 0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.924 -15.819 -1.189 1.00 0.00 H new ATOM 1409 N GLN A 93 -8.806 -11.329 3.343 1.00 0.00 N ATOM 1410 CA GLN A 93 -9.533 -10.112 3.000 1.00 0.00 C ATOM 1411 C GLN A 93 -8.977 -8.913 3.762 1.00 0.00 C ATOM 1412 O GLN A 93 -8.805 -7.832 3.199 1.00 0.00 O ATOM 1413 CB GLN A 93 -11.022 -10.279 3.306 1.00 0.00 C ATOM 1414 CG GLN A 93 -11.308 -10.668 4.747 1.00 0.00 C ATOM 1415 CD GLN A 93 -12.783 -10.897 5.009 1.00 0.00 C ATOM 1416 OE1 GLN A 93 -13.640 -10.243 4.413 1.00 0.00 O ATOM 1417 NE2 GLN A 93 -13.088 -11.830 5.903 1.00 0.00 N ATOM 0 H GLN A 93 -9.374 -12.048 3.792 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.406 -9.932 1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.537 -9.345 3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.437 -11.039 2.644 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.755 -11.575 4.991 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.943 -9.884 5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.346 -12.348 6.373 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.065 -12.029 6.120 1.00 0.00 H new ATOM 1426 N HIS A 94 -8.698 -9.112 5.047 1.00 0.00 N ATOM 1427 CA HIS A 94 -8.161 -8.048 5.886 1.00 0.00 C ATOM 1428 C HIS A 94 -6.960 -7.383 5.219 1.00 0.00 C ATOM 1429 O HIS A 94 -6.866 -6.156 5.171 1.00 0.00 O ATOM 1430 CB HIS A 94 -7.757 -8.601 7.253 1.00 0.00 C ATOM 1431 CG HIS A 94 -7.167 -7.571 8.166 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -7.928 -6.655 8.859 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.880 -7.318 8.500 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -7.136 -5.880 9.578 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -5.887 -6.262 9.378 1.00 0.00 N ATOM 0 H HIS A 94 -8.835 -10.000 5.529 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.941 -7.299 6.021 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.633 -9.040 7.731 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.035 -9.405 7.111 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -8.945 -6.586 8.822 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.010 -7.848 8.143 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.455 -5.072 10.220 1.00 0.00 H new ATOM 1444 N TRP A 95 -6.047 -8.199 4.707 1.00 0.00 N ATOM 1445 CA TRP A 95 -4.852 -7.690 4.044 1.00 0.00 C ATOM 1446 C TRP A 95 -5.208 -7.016 2.723 1.00 0.00 C ATOM 1447 O TRP A 95 -4.997 -5.815 2.551 1.00 0.00 O ATOM 1448 CB TRP A 95 -3.856 -8.825 3.799 1.00 0.00 C ATOM 1449 CG TRP A 95 -2.907 -9.038 4.939 1.00 0.00 C ATOM 1450 CD1 TRP A 95 -2.854 -10.121 5.770 1.00 0.00 C ATOM 1451 CD2 TRP A 95 -1.876 -8.145 5.374 1.00 0.00 C ATOM 1452 NE1 TRP A 95 -1.852 -9.955 6.695 1.00 0.00 N ATOM 1453 CE2 TRP A 95 -1.237 -8.751 6.474 1.00 0.00 C ATOM 1454 CE3 TRP A 95 -1.429 -6.894 4.942 1.00 0.00 C ATOM 1455 CZ2 TRP A 95 -0.177 -8.147 7.144 1.00 0.00 C ATOM 1456 CZ3 TRP A 95 -0.378 -6.295 5.608 1.00 0.00 C ATOM 1457 CH2 TRP A 95 0.240 -6.922 6.699 1.00 0.00 C ATOM 0 H TRP A 95 -6.111 -9.217 4.738 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.393 -6.948 4.697 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.406 -9.748 3.616 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.285 -8.609 2.896 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.504 -10.981 5.709 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.606 -10.620 7.428 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.897 -6.404 4.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 0.300 -8.628 7.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.026 -5.327 5.283 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.061 -6.429 7.198 1.00 0.00 H new ATOM 1468 N VAL A 96 -5.750 -7.796 1.793 1.00 0.00 N ATOM 1469 CA VAL A 96 -6.137 -7.273 0.488 1.00 0.00 C ATOM 1470 C VAL A 96 -6.766 -5.890 0.614 1.00 0.00 C ATOM 1471 O VAL A 96 -6.342 -4.941 -0.044 1.00 0.00 O ATOM 1472 CB VAL A 96 -7.129 -8.214 -0.222 1.00 0.00 C ATOM 1473 CG1 VAL A 96 -7.616 -7.594 -1.522 1.00 0.00 C ATOM 1474 CG2 VAL A 96 -6.488 -9.570 -0.476 1.00 0.00 C ATOM 0 H VAL A 96 -5.931 -8.792 1.919 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.226 -7.201 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.992 -8.361 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.316 -8.273 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.116 -6.649 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.766 -7.415 -2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.203 -10.222 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.607 -9.444 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.194 -10.017 0.474 1.00 0.00 H new ATOM 1484 N SER A 97 -7.782 -5.784 1.465 1.00 0.00 N ATOM 1485 CA SER A 97 -8.473 -4.517 1.676 1.00 0.00 C ATOM 1486 C SER A 97 -7.519 -3.463 2.229 1.00 0.00 C ATOM 1487 O SER A 97 -7.209 -2.478 1.560 1.00 0.00 O ATOM 1488 CB SER A 97 -9.651 -4.708 2.634 1.00 0.00 C ATOM 1489 OG SER A 97 -10.659 -3.740 2.401 1.00 0.00 O ATOM 0 H SER A 97 -8.145 -6.560 2.019 1.00 0.00 H new ATOM 0 HA SER A 97 -8.849 -4.172 0.713 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.067 -5.708 2.510 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.302 -4.634 3.664 1.00 0.00 H new ATOM 0 HG SER A 97 -11.401 -3.884 3.024 1.00 0.00 H new ATOM 1495 N ARG A 98 -7.056 -3.679 3.456 1.00 0.00 N ATOM 1496 CA ARG A 98 -6.138 -2.748 4.101 1.00 0.00 C ATOM 1497 C ARG A 98 -5.117 -2.212 3.102 1.00 0.00 C ATOM 1498 O ARG A 98 -4.981 -1.000 2.927 1.00 0.00 O ATOM 1499 CB ARG A 98 -5.418 -3.432 5.265 1.00 0.00 C ATOM 1500 CG ARG A 98 -6.284 -3.599 6.503 1.00 0.00 C ATOM 1501 CD ARG A 98 -6.343 -2.316 7.318 1.00 0.00 C ATOM 1502 NE ARG A 98 -6.603 -2.577 8.731 1.00 0.00 N ATOM 1503 CZ ARG A 98 -6.260 -1.744 9.708 1.00 0.00 C ATOM 1504 NH1 ARG A 98 -5.648 -0.603 9.426 1.00 0.00 N ATOM 1505 NH2 ARG A 98 -6.531 -2.053 10.970 1.00 0.00 N ATOM 0 H ARG A 98 -7.302 -4.490 4.023 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.720 -1.910 4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.070 -4.413 4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.534 -2.851 5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.292 -3.890 6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.887 -4.405 7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.400 -1.778 7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.124 -1.669 6.919 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.074 -3.446 8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.439 -0.362 8.457 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -5.386 0.035 10.178 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.003 -2.930 11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.268 -1.413 11.720 1.00 0.00 H new ATOM 1519 N LEU A 99 -4.400 -3.121 2.451 1.00 0.00 N ATOM 1520 CA LEU A 99 -3.390 -2.740 1.469 1.00 0.00 C ATOM 1521 C LEU A 99 -4.008 -1.916 0.344 1.00 0.00 C ATOM 1522 O LEU A 99 -3.449 -0.902 -0.074 1.00 0.00 O ATOM 1523 CB LEU A 99 -2.716 -3.986 0.893 1.00 0.00 C ATOM 1524 CG LEU A 99 -1.944 -4.853 1.889 1.00 0.00 C ATOM 1525 CD1 LEU A 99 -1.708 -6.242 1.316 1.00 0.00 C ATOM 1526 CD2 LEU A 99 -0.623 -4.195 2.258 1.00 0.00 C ATOM 0 H LEU A 99 -4.499 -4.127 2.585 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.641 -2.129 1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.481 -4.603 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.030 -3.673 0.106 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.542 -4.952 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.157 -6.845 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.666 -6.716 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.131 -6.162 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.088 -4.826 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.018 -4.064 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.815 -3.222 2.711 1.00 0.00 H new ATOM 1538 N GLN A 100 -5.165 -2.357 -0.139 1.00 0.00 N ATOM 1539 CA GLN A 100 -5.859 -1.659 -1.215 1.00 0.00 C ATOM 1540 C GLN A 100 -6.205 -0.232 -0.803 1.00 0.00 C ATOM 1541 O GLN A 100 -6.359 0.649 -1.649 1.00 0.00 O ATOM 1542 CB GLN A 100 -7.132 -2.413 -1.603 1.00 0.00 C ATOM 1543 CG GLN A 100 -6.906 -3.485 -2.657 1.00 0.00 C ATOM 1544 CD GLN A 100 -8.138 -3.742 -3.502 1.00 0.00 C ATOM 1545 OE1 GLN A 100 -8.917 -2.828 -3.778 1.00 0.00 O ATOM 1546 NE2 GLN A 100 -8.322 -4.989 -3.917 1.00 0.00 N ATOM 0 H GLN A 100 -5.641 -3.194 0.197 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.193 -1.618 -2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.557 -2.875 -0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.868 -1.700 -1.974 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.082 -3.184 -3.305 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.605 -4.412 -2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.651 -5.715 -3.665 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.134 -5.222 -4.488 1.00 0.00 H new ATOM 1555 N ILE A 101 -6.326 -0.011 0.502 1.00 0.00 N ATOM 1556 CA ILE A 101 -6.653 1.310 1.026 1.00 0.00 C ATOM 1557 C ILE A 101 -5.394 2.142 1.244 1.00 0.00 C ATOM 1558 O ILE A 101 -5.329 3.305 0.843 1.00 0.00 O ATOM 1559 CB ILE A 101 -7.428 1.213 2.353 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -8.724 0.424 2.156 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -7.725 2.603 2.896 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -9.364 -0.019 3.453 1.00 0.00 C ATOM 0 H ILE A 101 -6.203 -0.729 1.216 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.283 1.798 0.282 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.810 0.685 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.433 1.038 1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.516 -0.454 1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.273 2.518 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.789 3.133 3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.326 3.155 2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -10.278 -0.572 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.672 -0.660 4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.604 0.856 4.058 1.00 0.00 H new ATOM 1574 N CYS A 102 -4.396 1.539 1.880 1.00 0.00 N ATOM 1575 CA CYS A 102 -3.137 2.224 2.151 1.00 0.00 C ATOM 1576 C CYS A 102 -2.405 2.550 0.853 1.00 0.00 C ATOM 1577 O CYS A 102 -1.697 3.553 0.761 1.00 0.00 O ATOM 1578 CB CYS A 102 -2.248 1.364 3.050 1.00 0.00 C ATOM 1579 SG CYS A 102 -2.515 1.625 4.819 1.00 0.00 S ATOM 0 H CYS A 102 -4.434 0.577 2.218 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.363 3.159 2.664 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.423 0.313 2.818 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.204 1.572 2.816 1.00 0.00 H new ATOM 0 HG CYS A 102 -2.084 2.805 5.153 1.00 0.00 H new ATOM 1585 N THR A 103 -2.580 1.695 -0.150 1.00 0.00 N ATOM 1586 CA THR A 103 -1.934 1.889 -1.442 1.00 0.00 C ATOM 1587 C THR A 103 -2.508 3.102 -2.166 1.00 0.00 C ATOM 1588 O THR A 103 -1.766 3.912 -2.722 1.00 0.00 O ATOM 1589 CB THR A 103 -2.089 0.648 -2.341 1.00 0.00 C ATOM 1590 OG1 THR A 103 -1.054 0.627 -3.330 1.00 0.00 O ATOM 1591 CG2 THR A 103 -3.449 0.640 -3.022 1.00 0.00 C ATOM 0 H THR A 103 -3.164 0.861 -0.092 1.00 0.00 H new ATOM 0 HA THR A 103 -0.875 2.054 -1.244 1.00 0.00 H new ATOM 0 HB THR A 103 -2.009 -0.240 -1.714 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.341 1.247 -3.070 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.535 -0.246 -3.652 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.234 0.626 -2.266 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.553 1.534 -3.637 1.00 0.00 H new ATOM 1599 N GLN A 104 -3.832 3.220 -2.154 1.00 0.00 N ATOM 1600 CA GLN A 104 -4.504 4.335 -2.811 1.00 0.00 C ATOM 1601 C GLN A 104 -4.368 5.613 -1.989 1.00 0.00 C ATOM 1602 O GLN A 104 -3.880 6.631 -2.481 1.00 0.00 O ATOM 1603 CB GLN A 104 -5.983 4.009 -3.029 1.00 0.00 C ATOM 1604 CG GLN A 104 -6.752 5.116 -3.733 1.00 0.00 C ATOM 1605 CD GLN A 104 -8.002 4.608 -4.425 1.00 0.00 C ATOM 1606 OE1 GLN A 104 -7.927 3.960 -5.469 1.00 0.00 O ATOM 1607 NE2 GLN A 104 -9.160 4.901 -3.845 1.00 0.00 N ATOM 0 H GLN A 104 -4.460 2.558 -1.697 1.00 0.00 H new ATOM 0 HA GLN A 104 -4.028 4.495 -3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.062 3.093 -3.615 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.449 3.811 -2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.028 5.880 -3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.103 5.594 -4.467 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -9.175 5.441 -2.980 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -10.035 4.586 -4.265 1.00 0.00 H new ATOM 1616 N HIS A 105 -4.804 5.553 -0.735 1.00 0.00 N ATOM 1617 CA HIS A 105 -4.731 6.706 0.156 1.00 0.00 C ATOM 1618 C HIS A 105 -3.412 7.451 -0.027 1.00 0.00 C ATOM 1619 O HIS A 105 -3.352 8.672 0.117 1.00 0.00 O ATOM 1620 CB HIS A 105 -4.882 6.263 1.611 1.00 0.00 C ATOM 1621 CG HIS A 105 -5.473 7.314 2.499 1.00 0.00 C ATOM 1622 ND1 HIS A 105 -6.684 7.923 2.243 1.00 0.00 N ATOM 1623 CD2 HIS A 105 -5.014 7.864 3.648 1.00 0.00 C ATOM 1624 CE1 HIS A 105 -6.942 8.802 3.194 1.00 0.00 C ATOM 1625 NE2 HIS A 105 -5.944 8.786 4.059 1.00 0.00 N ATOM 0 H HIS A 105 -5.211 4.719 -0.313 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.548 7.382 -0.097 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.510 5.373 1.648 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -3.904 5.979 1.999 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.088 7.622 4.148 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.820 9.428 3.254 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -5.876 9.365 4.896 1.00 0.00 H new ATOM 1634 N HIS A 106 -2.357 6.707 -0.344 1.00 0.00 N ATOM 1635 CA HIS A 106 -1.039 7.298 -0.547 1.00 0.00 C ATOM 1636 C HIS A 106 -0.904 7.854 -1.961 1.00 0.00 C ATOM 1637 O HIS A 106 -0.820 9.066 -2.158 1.00 0.00 O ATOM 1638 CB HIS A 106 0.054 6.260 -0.288 1.00 0.00 C ATOM 1639 CG HIS A 106 0.513 6.217 1.137 1.00 0.00 C ATOM 1640 ND1 HIS A 106 1.783 6.583 1.530 1.00 0.00 N ATOM 1641 CD2 HIS A 106 -0.137 5.849 2.266 1.00 0.00 C ATOM 1642 CE1 HIS A 106 1.895 6.441 2.838 1.00 0.00 C ATOM 1643 NE2 HIS A 106 0.744 5.997 3.310 1.00 0.00 N ATOM 0 H HIS A 106 -2.389 5.695 -0.466 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.924 8.120 0.160 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.317 5.275 -0.572 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.908 6.476 -0.930 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.158 5.503 2.334 1.00 0.00 H new ATOM 0 HE1 HIS A 106 2.778 6.652 3.423 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.542 5.797 4.290 1.00 0.00 H new ATOM 1652 N THR A 107 -0.882 6.959 -2.944 1.00 0.00 N ATOM 1653 CA THR A 107 -0.755 7.359 -4.340 1.00 0.00 C ATOM 1654 C THR A 107 -1.603 8.591 -4.637 1.00 0.00 C ATOM 1655 O THR A 107 -1.217 9.441 -5.439 1.00 0.00 O ATOM 1656 CB THR A 107 -1.172 6.221 -5.291 1.00 0.00 C ATOM 1657 OG1 THR A 107 -0.517 6.375 -6.555 1.00 0.00 O ATOM 1658 CG2 THR A 107 -2.680 6.210 -5.493 1.00 0.00 C ATOM 0 H THR A 107 -0.951 5.952 -2.799 1.00 0.00 H new ATOM 0 HA THR A 107 0.296 7.595 -4.507 1.00 0.00 H new ATOM 0 HB THR A 107 -0.875 5.274 -4.841 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.442 7.328 -6.771 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.951 5.398 -6.168 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.175 6.064 -4.533 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.996 7.160 -5.923 1.00 0.00 H new ATOM 1666 N GLU A 108 -2.758 8.680 -3.987 1.00 0.00 N ATOM 1667 CA GLU A 108 -3.660 9.809 -4.183 1.00 0.00 C ATOM 1668 C GLU A 108 -3.020 11.107 -3.698 1.00 0.00 C ATOM 1669 O GLU A 108 -3.091 12.135 -4.370 1.00 0.00 O ATOM 1670 CB GLU A 108 -4.979 9.571 -3.446 1.00 0.00 C ATOM 1671 CG GLU A 108 -5.966 8.718 -4.224 1.00 0.00 C ATOM 1672 CD GLU A 108 -6.834 9.536 -5.161 1.00 0.00 C ATOM 1673 OE1 GLU A 108 -7.583 10.405 -4.668 1.00 0.00 O ATOM 1674 OE2 GLU A 108 -6.763 9.307 -6.386 1.00 0.00 O ATOM 0 H GLU A 108 -3.092 7.984 -3.320 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.861 9.900 -5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.770 9.089 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.440 10.533 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.420 7.971 -4.800 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.603 8.177 -3.524 1.00 0.00 H new ATOM 1681 N ALA A 109 -2.396 11.050 -2.526 1.00 0.00 N ATOM 1682 CA ALA A 109 -1.743 12.219 -1.950 1.00 0.00 C ATOM 1683 C ALA A 109 -0.919 12.959 -2.999 1.00 0.00 C ATOM 1684 O ALA A 109 -0.783 14.182 -2.945 1.00 0.00 O ATOM 1685 CB ALA A 109 -0.863 11.809 -0.779 1.00 0.00 C ATOM 0 H ALA A 109 -2.329 10.206 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.517 12.896 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.382 12.692 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.475 11.331 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.101 11.110 -1.124 1.00 0.00 H new