USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 744 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 29 GLN : amide:sc= -0.335 K(o=0.19,f=-4.2!) USER MOD Set 1.2: A 101 SER OG : rot 60:sc= 0.521 USER MOD Single : A 8 ASN : amide:sc= -0.238 K(o=-0.24,f=-1.6!) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.36 F(o=-1.2,f=-0.36) USER MOD Single : A 15 GLN : amide:sc= -0.0513 X(o=-0.051,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 24 SER OG : rot -96:sc= 1.18 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 8:sc= 0.0242 USER MOD Single : A 39 CYS SG : rot 56:sc= -1.19 USER MOD Single : A 46 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.094) USER MOD Single : A 47 SER OG : rot 38:sc= 0.0691 USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 54 MET CE :methyl -176:sc= -6.09! (180deg=-6.16!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -140:sc= -0.166 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 130:sc= -0.195 USER MOD Single : A 71 TYR OH : rot -130:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.883 K(o=-0.88,f=-2.4!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 1.09 (180deg=1.08) USER MOD Single : A 87 TYR OH : rot 41:sc= -1.96! USER MOD Single : A 90 CYS SG : rot -90:sc= -1.13 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -140:sc= 1.88 (180deg=0.319) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0298 USER MOD ----------------------------------------------------------------- ATOM 68 N ASN A 8 -6.644 -22.784 1.642 1.00 0.00 N ATOM 69 CA ASN A 8 -5.686 -22.589 0.558 1.00 0.00 C ATOM 70 C ASN A 8 -4.271 -22.925 1.017 1.00 0.00 C ATOM 71 O ASN A 8 -3.560 -22.072 1.548 1.00 0.00 O ATOM 72 CB ASN A 8 -5.746 -21.147 0.051 1.00 0.00 C ATOM 73 CG ASN A 8 -6.272 -21.054 -1.369 1.00 0.00 C ATOM 74 OD1 ASN A 8 -6.129 -21.989 -2.157 1.00 0.00 O ATOM 75 ND2 ASN A 8 -6.882 -19.924 -1.701 1.00 0.00 N ATOM 0 HA ASN A 8 -5.952 -23.263 -0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.384 -20.559 0.711 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.750 -20.707 0.096 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.255 -19.804 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.978 -19.175 -1.015 1.00 0.00 H new ATOM 82 N GLU A 9 -3.868 -24.174 0.810 1.00 0.00 N ATOM 83 CA GLU A 9 -2.536 -24.623 1.202 1.00 0.00 C ATOM 84 C GLU A 9 -1.625 -24.755 -0.014 1.00 0.00 C ATOM 85 O GLU A 9 -0.413 -24.561 0.082 1.00 0.00 O ATOM 86 CB GLU A 9 -2.624 -25.963 1.937 1.00 0.00 C ATOM 87 CG GLU A 9 -2.713 -25.824 3.448 1.00 0.00 C ATOM 88 CD GLU A 9 -4.061 -25.302 3.907 1.00 0.00 C ATOM 89 OE1 GLU A 9 -4.482 -24.234 3.417 1.00 0.00 O ATOM 90 OE2 GLU A 9 -4.695 -25.963 4.756 1.00 0.00 O ATOM 0 H GLU A 9 -4.444 -24.894 0.373 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.110 -23.876 1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.498 -26.508 1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.749 -26.563 1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.526 -26.793 3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.929 -25.150 3.794 1.00 0.00 H new ATOM 97 N GLU A 10 -2.216 -25.085 -1.158 1.00 0.00 N ATOM 98 CA GLU A 10 -1.457 -25.243 -2.393 1.00 0.00 C ATOM 99 C GLU A 10 -0.961 -23.893 -2.903 1.00 0.00 C ATOM 100 O GLU A 10 0.104 -23.803 -3.515 1.00 0.00 O ATOM 101 CB GLU A 10 -2.316 -25.920 -3.462 1.00 0.00 C ATOM 102 CG GLU A 10 -2.821 -27.296 -3.054 1.00 0.00 C ATOM 103 CD GLU A 10 -4.112 -27.674 -3.753 1.00 0.00 C ATOM 104 OE1 GLU A 10 -4.046 -28.149 -4.906 1.00 0.00 O ATOM 105 OE2 GLU A 10 -5.189 -27.494 -3.147 1.00 0.00 O ATOM 0 H GLU A 10 -3.218 -25.248 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.592 -25.872 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.170 -25.281 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.734 -26.013 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.058 -28.041 -3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.977 -27.317 -1.975 1.00 0.00 H new ATOM 112 N LEU A 11 -1.740 -22.847 -2.648 1.00 0.00 N ATOM 113 CA LEU A 11 -1.380 -21.502 -3.081 1.00 0.00 C ATOM 114 C LEU A 11 -0.047 -21.072 -2.476 1.00 0.00 C ATOM 115 O LEU A 11 0.686 -20.279 -3.066 1.00 0.00 O ATOM 116 CB LEU A 11 -2.475 -20.508 -2.690 1.00 0.00 C ATOM 117 CG LEU A 11 -2.370 -19.134 -3.352 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.768 -19.215 -4.818 1.00 0.00 C ATOM 119 CD2 LEU A 11 -3.236 -18.121 -2.618 1.00 0.00 C ATOM 0 H LEU A 11 -2.625 -22.905 -2.144 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.278 -21.513 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.443 -20.941 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.454 -20.375 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.333 -18.804 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.687 -18.227 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.106 -19.908 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.796 -19.567 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.149 -17.149 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.276 -18.446 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.904 -18.041 -1.583 1.00 0.00 H new ATOM 131 N ARG A 12 0.258 -21.598 -1.295 1.00 0.00 N ATOM 132 CA ARG A 12 1.503 -21.269 -0.609 1.00 0.00 C ATOM 133 C ARG A 12 2.715 -21.603 -1.474 1.00 0.00 C ATOM 134 O ARG A 12 3.780 -21.006 -1.322 1.00 0.00 O ATOM 135 CB ARG A 12 1.589 -22.019 0.722 1.00 0.00 C ATOM 136 CG ARG A 12 1.017 -21.244 1.897 1.00 0.00 C ATOM 137 CD ARG A 12 -0.493 -21.400 1.985 1.00 0.00 C ATOM 138 NE ARG A 12 -0.966 -21.379 3.367 1.00 0.00 N ATOM 139 CZ ARG A 12 -1.047 -20.275 4.107 1.00 0.00 C ATOM 140 NH1 ARG A 12 -0.687 -19.102 3.601 1.00 0.00 N ATOM 141 NH2 ARG A 12 -1.489 -20.345 5.355 1.00 0.00 N ATOM 0 H ARG A 12 -0.340 -22.254 -0.792 1.00 0.00 H new ATOM 0 HA ARG A 12 1.506 -20.196 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.058 -22.967 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.633 -22.257 0.928 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.475 -21.594 2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.270 -20.189 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.974 -20.598 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.789 -22.338 1.515 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.251 -22.262 3.790 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.346 -19.043 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.751 -18.259 4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.767 -21.244 5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.551 -19.500 5.922 1.00 0.00 H new ATOM 155 N ALA A 13 2.548 -22.563 -2.379 1.00 0.00 N ATOM 156 CA ALA A 13 3.632 -22.975 -3.264 1.00 0.00 C ATOM 157 C ALA A 13 3.596 -22.206 -4.580 1.00 0.00 C ATOM 158 O ALA A 13 4.632 -21.978 -5.205 1.00 0.00 O ATOM 159 CB ALA A 13 3.556 -24.472 -3.524 1.00 0.00 C ATOM 0 H ALA A 13 1.674 -23.069 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 13 4.576 -22.747 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.370 -24.768 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.642 -25.010 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.602 -24.712 -3.993 1.00 0.00 H new ATOM 165 N GLN A 14 2.399 -21.807 -4.997 1.00 0.00 N ATOM 166 CA GLN A 14 2.231 -21.066 -6.241 1.00 0.00 C ATOM 167 C GLN A 14 2.766 -19.642 -6.109 1.00 0.00 C ATOM 168 O GLN A 14 3.222 -19.047 -7.085 1.00 0.00 O ATOM 169 CB GLN A 14 0.756 -21.033 -6.645 1.00 0.00 C ATOM 170 CG GLN A 14 0.373 -22.118 -7.638 1.00 0.00 C ATOM 171 CD GLN A 14 0.348 -21.614 -9.069 1.00 0.00 C ATOM 172 OE1 GLN A 14 1.492 -21.683 -9.741 1.00 0.00 O flip ATOM 173 NE2 GLN A 14 -0.688 -21.169 -9.565 1.00 0.00 N flip ATOM 0 H GLN A 14 1.531 -21.985 -4.491 1.00 0.00 H new ATOM 0 HA GLN A 14 2.803 -21.577 -7.016 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.141 -21.136 -5.751 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.528 -20.059 -7.078 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.080 -22.944 -7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.609 -22.513 -7.378 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.544 -21.135 -9.012 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.689 -20.835 -10.529 1.00 0.00 H new ATOM 182 N GLN A 15 2.707 -19.101 -4.896 1.00 0.00 N ATOM 183 CA GLN A 15 3.185 -17.747 -4.640 1.00 0.00 C ATOM 184 C GLN A 15 4.580 -17.766 -4.023 1.00 0.00 C ATOM 185 O GLN A 15 4.881 -16.984 -3.120 1.00 0.00 O ATOM 186 CB GLN A 15 2.214 -17.010 -3.715 1.00 0.00 C ATOM 187 CG GLN A 15 0.800 -16.918 -4.266 1.00 0.00 C ATOM 188 CD GLN A 15 0.273 -15.496 -4.290 1.00 0.00 C ATOM 189 OE1 GLN A 15 -0.220 -15.021 -5.313 1.00 0.00 O ATOM 190 NE2 GLN A 15 0.374 -14.809 -3.159 1.00 0.00 N ATOM 0 H GLN A 15 2.333 -19.579 -4.076 1.00 0.00 H new ATOM 0 HA GLN A 15 3.240 -17.222 -5.593 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.187 -17.518 -2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.591 -16.003 -3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.781 -17.325 -5.277 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.137 -17.537 -3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.790 -15.242 -2.335 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.036 -13.848 -3.114 1.00 0.00 H new ATOM 199 N GLU A 16 5.430 -18.661 -4.515 1.00 0.00 N ATOM 200 CA GLU A 16 6.793 -18.777 -4.011 1.00 0.00 C ATOM 201 C GLU A 16 7.806 -18.686 -5.147 1.00 0.00 C ATOM 202 O GLU A 16 8.805 -17.973 -5.046 1.00 0.00 O ATOM 203 CB GLU A 16 6.969 -20.098 -3.258 1.00 0.00 C ATOM 204 CG GLU A 16 6.842 -19.959 -1.749 1.00 0.00 C ATOM 205 CD GLU A 16 7.650 -20.999 -0.998 1.00 0.00 C ATOM 206 OE1 GLU A 16 8.896 -20.949 -1.068 1.00 0.00 O ATOM 207 OE2 GLU A 16 7.037 -21.864 -0.339 1.00 0.00 O ATOM 0 H GLU A 16 5.199 -19.316 -5.262 1.00 0.00 H new ATOM 0 HA GLU A 16 6.971 -17.948 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.225 -20.811 -3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.948 -20.514 -3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.171 -18.964 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.793 -20.046 -1.467 1.00 0.00 H new ATOM 214 N ALA A 17 7.544 -19.412 -6.230 1.00 0.00 N ATOM 215 CA ALA A 17 8.435 -19.412 -7.383 1.00 0.00 C ATOM 216 C ALA A 17 7.802 -18.690 -8.568 1.00 0.00 C ATOM 217 O ALA A 17 8.489 -18.018 -9.337 1.00 0.00 O ATOM 218 CB ALA A 17 8.800 -20.838 -7.767 1.00 0.00 C ATOM 0 H ALA A 17 6.722 -20.007 -6.332 1.00 0.00 H new ATOM 0 HA ALA A 17 9.343 -18.876 -7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.466 -20.823 -8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.301 -21.323 -6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.894 -21.391 -8.017 1.00 0.00 H new ATOM 224 N GLU A 18 6.488 -18.835 -8.710 1.00 0.00 N ATOM 225 CA GLU A 18 5.764 -18.196 -9.803 1.00 0.00 C ATOM 226 C GLU A 18 5.460 -16.737 -9.478 1.00 0.00 C ATOM 227 O GLU A 18 5.630 -15.855 -10.319 1.00 0.00 O ATOM 228 CB GLU A 18 4.462 -18.948 -10.086 1.00 0.00 C ATOM 229 CG GLU A 18 4.659 -20.438 -10.316 1.00 0.00 C ATOM 230 CD GLU A 18 5.183 -20.749 -11.705 1.00 0.00 C ATOM 231 OE1 GLU A 18 4.462 -20.476 -12.687 1.00 0.00 O ATOM 232 OE2 GLU A 18 6.315 -21.266 -11.809 1.00 0.00 O ATOM 0 H GLU A 18 5.904 -19.388 -8.083 1.00 0.00 H new ATOM 0 HA GLU A 18 6.396 -18.227 -10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.780 -18.805 -9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.984 -18.513 -10.964 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.355 -20.828 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.711 -20.954 -10.165 1.00 0.00 H new ATOM 239 N ALA A 19 5.009 -16.490 -8.252 1.00 0.00 N ATOM 240 CA ALA A 19 4.683 -15.138 -7.816 1.00 0.00 C ATOM 241 C ALA A 19 5.838 -14.516 -7.040 1.00 0.00 C ATOM 242 O ALA A 19 5.629 -13.827 -6.040 1.00 0.00 O ATOM 243 CB ALA A 19 3.419 -15.149 -6.969 1.00 0.00 C ATOM 0 H ALA A 19 4.861 -17.209 -7.544 1.00 0.00 H new ATOM 0 HA ALA A 19 4.509 -14.529 -8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.186 -14.133 -6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.590 -15.543 -7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.574 -15.778 -6.093 1.00 0.00 H new ATOM 249 N ALA A 20 7.059 -14.760 -7.505 1.00 0.00 N ATOM 250 CA ALA A 20 8.247 -14.223 -6.853 1.00 0.00 C ATOM 251 C ALA A 20 9.339 -13.913 -7.870 1.00 0.00 C ATOM 252 O ALA A 20 9.917 -12.826 -7.863 1.00 0.00 O ATOM 253 CB ALA A 20 8.760 -15.199 -5.805 1.00 0.00 C ATOM 0 H ALA A 20 7.251 -15.326 -8.331 1.00 0.00 H new ATOM 0 HA ALA A 20 7.971 -13.290 -6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.647 -14.785 -5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.987 -15.367 -5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.013 -16.146 -6.282 1.00 0.00 H new ATOM 259 N GLN A 21 9.619 -14.875 -8.744 1.00 0.00 N ATOM 260 CA GLN A 21 10.644 -14.704 -9.766 1.00 0.00 C ATOM 261 C GLN A 21 10.159 -13.772 -10.873 1.00 0.00 C ATOM 262 O GLN A 21 10.908 -12.921 -11.353 1.00 0.00 O ATOM 263 CB GLN A 21 11.036 -16.061 -10.357 1.00 0.00 C ATOM 264 CG GLN A 21 12.445 -16.499 -9.990 1.00 0.00 C ATOM 265 CD GLN A 21 12.499 -17.924 -9.474 1.00 0.00 C ATOM 266 OE1 GLN A 21 13.149 -18.786 -10.065 1.00 0.00 O ATOM 267 NE2 GLN A 21 11.813 -18.179 -8.366 1.00 0.00 N ATOM 0 H GLN A 21 9.150 -15.781 -8.764 1.00 0.00 H new ATOM 0 HA GLN A 21 11.519 -14.254 -9.297 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.329 -16.816 -10.014 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.950 -16.014 -11.443 1.00 0.00 H new ATOM 0 HG2 GLN A 21 13.089 -16.409 -10.865 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.844 -15.827 -9.231 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.288 -17.434 -7.909 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.811 -19.120 -7.972 1.00 0.00 H new ATOM 276 N ARG A 22 8.902 -13.937 -11.271 1.00 0.00 N ATOM 277 CA ARG A 22 8.319 -13.109 -12.321 1.00 0.00 C ATOM 278 C ARG A 22 7.839 -11.775 -11.759 1.00 0.00 C ATOM 279 O ARG A 22 7.875 -10.753 -12.444 1.00 0.00 O ATOM 280 CB ARG A 22 7.154 -13.842 -12.990 1.00 0.00 C ATOM 281 CG ARG A 22 7.593 -14.983 -13.895 1.00 0.00 C ATOM 282 CD ARG A 22 8.565 -14.505 -14.961 1.00 0.00 C ATOM 283 NE ARG A 22 8.666 -15.448 -16.072 1.00 0.00 N ATOM 284 CZ ARG A 22 9.673 -15.464 -16.943 1.00 0.00 C ATOM 285 NH1 ARG A 22 10.666 -14.589 -16.835 1.00 0.00 N ATOM 286 NH2 ARG A 22 9.687 -16.355 -17.924 1.00 0.00 N ATOM 0 H ARG A 22 8.268 -14.636 -10.883 1.00 0.00 H new ATOM 0 HA ARG A 22 9.091 -12.913 -13.065 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.492 -14.235 -12.219 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.574 -13.128 -13.575 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.063 -15.764 -13.296 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.719 -15.428 -14.371 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.242 -13.535 -15.337 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.550 -14.362 -14.516 1.00 0.00 H new ATOM 0 HE ARG A 22 7.921 -16.135 -16.187 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.660 -13.901 -16.082 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.435 -14.605 -17.505 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.926 -17.029 -18.012 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.459 -16.367 -18.591 1.00 0.00 H new ATOM 300 N LEU A 23 7.390 -11.791 -10.508 1.00 0.00 N ATOM 301 CA LEU A 23 6.904 -10.582 -9.855 1.00 0.00 C ATOM 302 C LEU A 23 7.980 -9.976 -8.960 1.00 0.00 C ATOM 303 O LEU A 23 7.679 -9.365 -7.935 1.00 0.00 O ATOM 304 CB LEU A 23 5.652 -10.891 -9.030 1.00 0.00 C ATOM 305 CG LEU A 23 4.854 -9.665 -8.582 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.824 -9.286 -9.633 1.00 0.00 C ATOM 307 CD2 LEU A 23 4.182 -9.929 -7.243 1.00 0.00 C ATOM 0 H LEU A 23 7.353 -12.628 -9.927 1.00 0.00 H new ATOM 0 HA LEU A 23 6.651 -9.858 -10.629 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.999 -11.536 -9.617 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.948 -11.456 -8.146 1.00 0.00 H new ATOM 0 HG LEU A 23 5.543 -8.829 -8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.266 -8.412 -9.297 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.329 -9.056 -10.571 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.137 -10.118 -9.786 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.618 -9.047 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.505 -10.778 -7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.941 -10.152 -6.493 1.00 0.00 H new ATOM 319 N SER A 24 9.238 -10.151 -9.354 1.00 0.00 N ATOM 320 CA SER A 24 10.359 -9.621 -8.587 1.00 0.00 C ATOM 321 C SER A 24 10.488 -8.114 -8.782 1.00 0.00 C ATOM 322 O SER A 24 10.907 -7.394 -7.876 1.00 0.00 O ATOM 323 CB SER A 24 11.659 -10.313 -9.002 1.00 0.00 C ATOM 324 OG SER A 24 11.744 -10.438 -10.410 1.00 0.00 O ATOM 0 H SER A 24 9.506 -10.655 -10.199 1.00 0.00 H new ATOM 0 HA SER A 24 10.170 -9.818 -7.532 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.512 -9.743 -8.632 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.712 -11.300 -8.542 1.00 0.00 H new ATOM 0 HG SER A 24 11.439 -11.330 -10.678 1.00 0.00 H new ATOM 330 N GLU A 25 10.124 -7.642 -9.970 1.00 0.00 N ATOM 331 CA GLU A 25 10.197 -6.220 -10.283 1.00 0.00 C ATOM 332 C GLU A 25 9.087 -5.450 -9.576 1.00 0.00 C ATOM 333 O GLU A 25 9.308 -4.353 -9.063 1.00 0.00 O ATOM 334 CB GLU A 25 10.105 -6.006 -11.796 1.00 0.00 C ATOM 335 CG GLU A 25 11.287 -5.246 -12.376 1.00 0.00 C ATOM 336 CD GLU A 25 11.311 -5.275 -13.891 1.00 0.00 C ATOM 337 OE1 GLU A 25 10.224 -5.225 -14.504 1.00 0.00 O ATOM 338 OE2 GLU A 25 12.418 -5.346 -14.466 1.00 0.00 O ATOM 0 H GLU A 25 9.775 -8.224 -10.732 1.00 0.00 H new ATOM 0 HA GLU A 25 11.156 -5.842 -9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.031 -6.976 -12.288 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.188 -5.463 -12.023 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.251 -4.211 -12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.213 -5.675 -11.993 1.00 0.00 H new ATOM 345 N GLU A 26 7.892 -6.033 -9.552 1.00 0.00 N ATOM 346 CA GLU A 26 6.747 -5.402 -8.907 1.00 0.00 C ATOM 347 C GLU A 26 6.865 -5.483 -7.388 1.00 0.00 C ATOM 348 O GLU A 26 6.414 -4.589 -6.673 1.00 0.00 O ATOM 349 CB GLU A 26 5.447 -6.068 -9.364 1.00 0.00 C ATOM 350 CG GLU A 26 4.836 -5.423 -10.598 1.00 0.00 C ATOM 351 CD GLU A 26 3.447 -5.951 -10.903 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.603 -5.967 -9.983 1.00 0.00 O ATOM 353 OE2 GLU A 26 3.204 -6.348 -12.061 1.00 0.00 O ATOM 0 H GLU A 26 7.692 -6.941 -9.972 1.00 0.00 H new ATOM 0 HA GLU A 26 6.732 -4.351 -9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.641 -7.120 -9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.724 -6.032 -8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.787 -4.344 -10.453 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.485 -5.600 -11.456 1.00 0.00 H new ATOM 360 N LYS A 27 7.475 -6.559 -6.904 1.00 0.00 N ATOM 361 CA LYS A 27 7.652 -6.757 -5.470 1.00 0.00 C ATOM 362 C LYS A 27 8.684 -5.783 -4.911 1.00 0.00 C ATOM 363 O LYS A 27 8.505 -5.226 -3.828 1.00 0.00 O ATOM 364 CB LYS A 27 8.082 -8.196 -5.182 1.00 0.00 C ATOM 365 CG LYS A 27 8.012 -8.569 -3.710 1.00 0.00 C ATOM 366 CD LYS A 27 7.718 -10.050 -3.522 1.00 0.00 C ATOM 367 CE LYS A 27 8.799 -10.736 -2.702 1.00 0.00 C ATOM 368 NZ LYS A 27 8.752 -10.331 -1.270 1.00 0.00 N ATOM 0 H LYS A 27 7.855 -7.307 -7.483 1.00 0.00 H new ATOM 0 HA LYS A 27 6.697 -6.567 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.449 -8.876 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.103 -8.339 -5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.956 -8.320 -3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.237 -7.978 -3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.754 -10.170 -3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.639 -10.532 -4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.681 -11.817 -2.777 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.778 -10.493 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.505 -10.821 -0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.890 -9.303 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.828 -10.586 -0.867 1.00 0.00 H new ATOM 382 N ALA A 28 9.767 -5.583 -5.657 1.00 0.00 N ATOM 383 CA ALA A 28 10.828 -4.676 -5.235 1.00 0.00 C ATOM 384 C ALA A 28 10.300 -3.257 -5.063 1.00 0.00 C ATOM 385 O ALA A 28 10.763 -2.512 -4.199 1.00 0.00 O ATOM 386 CB ALA A 28 11.970 -4.700 -6.239 1.00 0.00 C ATOM 0 H ALA A 28 9.932 -6.037 -6.556 1.00 0.00 H new ATOM 0 HA ALA A 28 11.201 -5.015 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.756 -4.019 -5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.372 -5.711 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.602 -4.388 -7.216 1.00 0.00 H new ATOM 392 N GLN A 29 9.327 -2.888 -5.891 1.00 0.00 N ATOM 393 CA GLN A 29 8.735 -1.557 -5.830 1.00 0.00 C ATOM 394 C GLN A 29 7.642 -1.497 -4.768 1.00 0.00 C ATOM 395 O GLN A 29 7.421 -0.456 -4.150 1.00 0.00 O ATOM 396 CB GLN A 29 8.159 -1.170 -7.193 1.00 0.00 C ATOM 397 CG GLN A 29 9.156 -1.294 -8.333 1.00 0.00 C ATOM 398 CD GLN A 29 8.504 -1.162 -9.695 1.00 0.00 C ATOM 399 OE1 GLN A 29 7.456 -0.533 -9.836 1.00 0.00 O ATOM 400 NE2 GLN A 29 9.123 -1.758 -10.707 1.00 0.00 N ATOM 0 H GLN A 29 8.932 -3.492 -6.612 1.00 0.00 H new ATOM 0 HA GLN A 29 9.519 -0.849 -5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.296 -1.801 -7.406 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.798 -0.142 -7.147 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.923 -0.527 -8.225 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.659 -2.259 -8.267 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.991 -2.269 -10.544 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.731 -1.705 -11.647 1.00 0.00 H new ATOM 409 N ALA A 30 6.964 -2.621 -4.560 1.00 0.00 N ATOM 410 CA ALA A 30 5.896 -2.697 -3.572 1.00 0.00 C ATOM 411 C ALA A 30 6.460 -2.783 -2.157 1.00 0.00 C ATOM 412 O ALA A 30 5.824 -2.346 -1.198 1.00 0.00 O ATOM 413 CB ALA A 30 4.997 -3.891 -3.857 1.00 0.00 C ATOM 0 H ALA A 30 7.136 -3.492 -5.063 1.00 0.00 H new ATOM 0 HA ALA A 30 5.304 -1.785 -3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.204 -3.935 -3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.557 -3.787 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.585 -4.808 -3.816 1.00 0.00 H new ATOM 419 N SER A 31 7.656 -3.350 -2.034 1.00 0.00 N ATOM 420 CA SER A 31 8.304 -3.494 -0.736 1.00 0.00 C ATOM 421 C SER A 31 9.315 -2.375 -0.506 1.00 0.00 C ATOM 422 O SER A 31 10.336 -2.574 0.154 1.00 0.00 O ATOM 423 CB SER A 31 8.998 -4.853 -0.637 1.00 0.00 C ATOM 424 OG SER A 31 8.133 -5.828 -0.081 1.00 0.00 O ATOM 0 H SER A 31 8.196 -3.717 -2.818 1.00 0.00 H new ATOM 0 HA SER A 31 7.536 -3.430 0.035 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.322 -5.172 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.893 -4.764 -0.022 1.00 0.00 H new ATOM 0 HG SER A 31 8.600 -6.688 -0.030 1.00 0.00 H new ATOM 430 N ALA A 32 9.026 -1.199 -1.053 1.00 0.00 N ATOM 431 CA ALA A 32 9.909 -0.049 -0.906 1.00 0.00 C ATOM 432 C ALA A 32 9.122 1.207 -0.548 1.00 0.00 C ATOM 433 O ALA A 32 9.498 1.951 0.357 1.00 0.00 O ATOM 434 CB ALA A 32 10.706 0.172 -2.184 1.00 0.00 C ATOM 0 H ALA A 32 8.186 -1.018 -1.603 1.00 0.00 H new ATOM 0 HA ALA A 32 10.601 -0.257 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.361 1.034 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.307 -0.713 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.022 0.353 -3.013 1.00 0.00 H new ATOM 440 N ILE A 33 8.027 1.436 -1.266 1.00 0.00 N ATOM 441 CA ILE A 33 7.185 2.601 -1.023 1.00 0.00 C ATOM 442 C ILE A 33 6.534 2.532 0.355 1.00 0.00 C ATOM 443 O ILE A 33 5.841 1.566 0.676 1.00 0.00 O ATOM 444 CB ILE A 33 6.084 2.734 -2.095 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.691 2.651 -3.497 1.00 0.00 C ATOM 446 CG2 ILE A 33 5.324 4.040 -1.916 1.00 0.00 C ATOM 447 CD1 ILE A 33 5.869 1.826 -4.463 1.00 0.00 C ATOM 0 H ILE A 33 7.703 0.831 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 33 7.834 3.475 -1.071 1.00 0.00 H new ATOM 0 HB ILE A 33 5.382 1.909 -1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.803 3.659 -3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.691 2.224 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.551 4.119 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.862 4.060 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.014 4.878 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.359 1.811 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.779 0.807 -4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.876 2.265 -4.563 1.00 0.00 H new ATOM 459 N SER A 34 6.762 3.561 1.165 1.00 0.00 N ATOM 460 CA SER A 34 6.197 3.615 2.508 1.00 0.00 C ATOM 461 C SER A 34 4.740 4.063 2.468 1.00 0.00 C ATOM 462 O SER A 34 4.253 4.535 1.440 1.00 0.00 O ATOM 463 CB SER A 34 7.011 4.566 3.388 1.00 0.00 C ATOM 464 OG SER A 34 8.395 4.276 3.306 1.00 0.00 O ATOM 0 H SER A 34 7.334 4.368 0.915 1.00 0.00 H new ATOM 0 HA SER A 34 6.238 2.612 2.933 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.833 5.596 3.078 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.679 4.483 4.423 1.00 0.00 H new ATOM 0 HG SER A 34 8.894 4.898 3.876 1.00 0.00 H new ATOM 470 N VAL A 35 4.049 3.913 3.594 1.00 0.00 N ATOM 471 CA VAL A 35 2.646 4.301 3.687 1.00 0.00 C ATOM 472 C VAL A 35 2.489 5.605 4.462 1.00 0.00 C ATOM 473 O VAL A 35 3.131 5.808 5.493 1.00 0.00 O ATOM 474 CB VAL A 35 1.803 3.207 4.368 1.00 0.00 C ATOM 475 CG1 VAL A 35 0.324 3.560 4.317 1.00 0.00 C ATOM 476 CG2 VAL A 35 2.057 1.853 3.722 1.00 0.00 C ATOM 0 H VAL A 35 4.438 3.526 4.454 1.00 0.00 H new ATOM 0 HA VAL A 35 2.288 4.441 2.667 1.00 0.00 H new ATOM 0 HB VAL A 35 2.103 3.146 5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.255 2.775 4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.158 4.506 4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.008 3.653 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.452 1.094 4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.790 1.898 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.112 1.596 3.819 1.00 0.00 H new ATOM 486 N GLY A 36 1.630 6.487 3.960 1.00 0.00 N ATOM 487 CA GLY A 36 1.402 7.759 4.618 1.00 0.00 C ATOM 488 C GLY A 36 2.420 8.810 4.222 1.00 0.00 C ATOM 489 O GLY A 36 2.920 9.549 5.069 1.00 0.00 O ATOM 0 H GLY A 36 1.088 6.342 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.402 8.117 4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.434 7.616 5.698 1.00 0.00 H new ATOM 493 N SER A 37 2.727 8.878 2.931 1.00 0.00 N ATOM 494 CA SER A 37 3.692 9.848 2.425 1.00 0.00 C ATOM 495 C SER A 37 3.241 10.413 1.082 1.00 0.00 C ATOM 496 O SER A 37 2.710 9.691 0.239 1.00 0.00 O ATOM 497 CB SER A 37 5.071 9.201 2.282 1.00 0.00 C ATOM 498 OG SER A 37 5.702 9.065 3.543 1.00 0.00 O ATOM 0 H SER A 37 2.322 8.273 2.216 1.00 0.00 H new ATOM 0 HA SER A 37 3.756 10.667 3.141 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.970 8.222 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.694 9.806 1.623 1.00 0.00 H new ATOM 0 HG SER A 37 5.069 9.302 4.253 1.00 0.00 H new ATOM 504 N ARG A 38 3.456 11.711 0.891 1.00 0.00 N ATOM 505 CA ARG A 38 3.072 12.374 -0.349 1.00 0.00 C ATOM 506 C ARG A 38 3.853 11.813 -1.532 1.00 0.00 C ATOM 507 O ARG A 38 5.082 11.762 -1.510 1.00 0.00 O ATOM 508 CB ARG A 38 3.306 13.882 -0.238 1.00 0.00 C ATOM 509 CG ARG A 38 2.453 14.551 0.829 1.00 0.00 C ATOM 510 CD ARG A 38 0.974 14.293 0.601 1.00 0.00 C ATOM 511 NE ARG A 38 0.155 15.451 0.956 1.00 0.00 N ATOM 512 CZ ARG A 38 -0.049 15.858 2.207 1.00 0.00 C ATOM 513 NH1 ARG A 38 0.502 15.206 3.223 1.00 0.00 N ATOM 514 NH2 ARG A 38 -0.806 16.921 2.442 1.00 0.00 N ATOM 0 H ARG A 38 3.894 12.324 1.579 1.00 0.00 H new ATOM 0 HA ARG A 38 2.011 12.188 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.358 14.063 -0.017 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.098 14.346 -1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.741 14.179 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.641 15.625 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.808 14.038 -0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.661 13.432 1.192 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.286 15.977 0.202 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.086 14.388 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.342 15.523 4.179 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.231 17.426 1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.963 17.234 3.400 1.00 0.00 H new ATOM 528 N CYS A 39 3.130 11.393 -2.565 1.00 0.00 N ATOM 529 CA CYS A 39 3.756 10.834 -3.758 1.00 0.00 C ATOM 530 C CYS A 39 2.973 11.214 -5.012 1.00 0.00 C ATOM 531 O CYS A 39 1.768 11.458 -4.952 1.00 0.00 O ATOM 532 CB CYS A 39 3.851 9.311 -3.645 1.00 0.00 C ATOM 533 SG CYS A 39 4.478 8.728 -2.053 1.00 0.00 S ATOM 0 H CYS A 39 2.111 11.429 -2.600 1.00 0.00 H new ATOM 0 HA CYS A 39 4.761 11.249 -3.838 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.863 8.882 -3.813 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.500 8.938 -4.438 1.00 0.00 H new ATOM 0 HG CYS A 39 3.743 9.208 -1.095 1.00 0.00 H new ATOM 539 N GLU A 40 3.666 11.261 -6.144 1.00 0.00 N ATOM 540 CA GLU A 40 3.035 11.611 -7.412 1.00 0.00 C ATOM 541 C GLU A 40 2.607 10.359 -8.171 1.00 0.00 C ATOM 542 O GLU A 40 3.083 9.258 -7.891 1.00 0.00 O ATOM 543 CB GLU A 40 3.995 12.439 -8.270 1.00 0.00 C ATOM 544 CG GLU A 40 4.193 13.858 -7.764 1.00 0.00 C ATOM 545 CD GLU A 40 5.636 14.315 -7.861 1.00 0.00 C ATOM 546 OE1 GLU A 40 6.448 13.900 -7.008 1.00 0.00 O ATOM 547 OE2 GLU A 40 5.952 15.088 -8.789 1.00 0.00 O ATOM 0 H GLU A 40 4.664 11.061 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 40 2.146 12.204 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.962 11.937 -8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.616 12.476 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.562 14.536 -8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.865 13.919 -6.726 1.00 0.00 H new ATOM 554 N VAL A 41 1.706 10.534 -9.131 1.00 0.00 N ATOM 555 CA VAL A 41 1.212 9.419 -9.928 1.00 0.00 C ATOM 556 C VAL A 41 1.006 9.830 -11.382 1.00 0.00 C ATOM 557 O VAL A 41 0.585 10.951 -11.666 1.00 0.00 O ATOM 558 CB VAL A 41 -0.115 8.871 -9.370 1.00 0.00 C ATOM 559 CG1 VAL A 41 -0.509 7.589 -10.086 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.009 8.642 -7.870 1.00 0.00 C ATOM 0 H VAL A 41 1.303 11.438 -9.376 1.00 0.00 H new ATOM 0 HA VAL A 41 1.969 8.637 -9.877 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.895 9.611 -9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.449 7.218 -9.677 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.630 7.789 -11.151 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.269 6.839 -9.944 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.956 8.255 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.784 7.922 -7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.221 9.585 -7.373 1.00 0.00 H new ATOM 570 N ARG A 42 1.306 8.916 -12.300 1.00 0.00 N ATOM 571 CA ARG A 42 1.154 9.185 -13.725 1.00 0.00 C ATOM 572 C ARG A 42 0.115 8.256 -14.346 1.00 0.00 C ATOM 573 O ARG A 42 0.126 7.049 -14.107 1.00 0.00 O ATOM 574 CB ARG A 42 2.497 9.025 -14.442 1.00 0.00 C ATOM 575 CG ARG A 42 3.038 10.325 -15.018 1.00 0.00 C ATOM 576 CD ARG A 42 3.481 10.160 -16.465 1.00 0.00 C ATOM 577 NE ARG A 42 2.728 11.026 -17.369 1.00 0.00 N ATOM 578 CZ ARG A 42 1.499 10.755 -17.803 1.00 0.00 C ATOM 579 NH1 ARG A 42 0.881 9.645 -17.419 1.00 0.00 N ATOM 580 NH2 ARG A 42 0.887 11.597 -18.626 1.00 0.00 N ATOM 0 H ARG A 42 1.656 7.983 -12.082 1.00 0.00 H new ATOM 0 HA ARG A 42 0.810 10.213 -13.842 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.226 8.616 -13.743 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.385 8.299 -15.247 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.270 11.096 -14.958 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.880 10.667 -14.416 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.544 10.387 -16.547 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.353 9.121 -16.767 1.00 0.00 H new ATOM 0 HE ARG A 42 3.170 11.889 -17.686 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.348 8.994 -16.788 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.061 9.443 -17.755 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.358 12.451 -18.925 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.055 11.391 -18.959 1.00 0.00 H new ATOM 594 N ALA A 43 -0.783 8.828 -15.142 1.00 0.00 N ATOM 595 CA ALA A 43 -1.829 8.051 -15.797 1.00 0.00 C ATOM 596 C ALA A 43 -2.399 8.797 -16.999 1.00 0.00 C ATOM 597 O ALA A 43 -2.216 10.007 -17.134 1.00 0.00 O ATOM 598 CB ALA A 43 -2.935 7.717 -14.807 1.00 0.00 C ATOM 0 H ALA A 43 -0.807 9.827 -15.349 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.386 7.123 -16.158 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.709 7.137 -15.309 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.522 7.135 -13.983 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.367 8.640 -14.419 1.00 0.00 H new ATOM 604 N PRO A 44 -3.102 8.082 -17.894 1.00 0.00 N ATOM 605 CA PRO A 44 -3.701 8.679 -19.091 1.00 0.00 C ATOM 606 C PRO A 44 -4.989 9.442 -18.790 1.00 0.00 C ATOM 607 O PRO A 44 -5.612 10.000 -19.693 1.00 0.00 O ATOM 608 CB PRO A 44 -3.993 7.465 -19.970 1.00 0.00 C ATOM 609 CG PRO A 44 -4.244 6.358 -19.006 1.00 0.00 C ATOM 610 CD PRO A 44 -3.366 6.630 -17.811 1.00 0.00 C ATOM 0 HA PRO A 44 -3.044 9.417 -19.551 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.858 7.637 -20.610 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.152 7.238 -20.625 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.294 6.325 -18.717 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.005 5.392 -19.452 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.866 6.366 -16.879 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.443 6.052 -17.852 1.00 0.00 H new ATOM 618 N ASP A 45 -5.387 9.466 -17.519 1.00 0.00 N ATOM 619 CA ASP A 45 -6.603 10.162 -17.111 1.00 0.00 C ATOM 620 C ASP A 45 -6.585 11.616 -17.575 1.00 0.00 C ATOM 621 O ASP A 45 -7.398 12.023 -18.404 1.00 0.00 O ATOM 622 CB ASP A 45 -6.764 10.102 -15.591 1.00 0.00 C ATOM 623 CG ASP A 45 -6.736 8.682 -15.061 1.00 0.00 C ATOM 624 OD1 ASP A 45 -6.987 7.749 -15.852 1.00 0.00 O ATOM 625 OD2 ASP A 45 -6.463 8.503 -13.856 1.00 0.00 O ATOM 0 H ASP A 45 -4.885 9.012 -16.756 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.450 9.662 -17.581 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.967 10.678 -15.121 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.706 10.573 -15.310 1.00 0.00 H new ATOM 630 N HIS A 46 -5.652 12.393 -17.034 1.00 0.00 N ATOM 631 CA HIS A 46 -5.531 13.802 -17.394 1.00 0.00 C ATOM 632 C HIS A 46 -4.078 14.260 -17.312 1.00 0.00 C ATOM 633 O HIS A 46 -3.431 14.493 -18.333 1.00 0.00 O ATOM 634 CB HIS A 46 -6.405 14.661 -16.477 1.00 0.00 C ATOM 635 CG HIS A 46 -7.261 15.642 -17.215 1.00 0.00 C ATOM 636 ND1 HIS A 46 -8.339 16.282 -16.641 1.00 0.00 N ATOM 637 CD2 HIS A 46 -7.194 16.092 -18.491 1.00 0.00 C ATOM 638 CE1 HIS A 46 -8.899 17.082 -17.531 1.00 0.00 C ATOM 639 NE2 HIS A 46 -8.222 16.986 -18.661 1.00 0.00 N ATOM 0 H HIS A 46 -4.970 12.072 -16.346 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.872 13.921 -18.422 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.044 14.009 -15.882 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.765 15.202 -15.780 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.468 15.802 -19.236 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.763 17.708 -17.363 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.429 17.494 -19.521 1.00 0.00 H new ATOM 648 N SER A 47 -3.571 14.389 -16.090 1.00 0.00 N ATOM 649 CA SER A 47 -2.195 14.820 -15.875 1.00 0.00 C ATOM 650 C SER A 47 -1.672 14.325 -14.531 1.00 0.00 C ATOM 651 O SER A 47 -2.342 13.563 -13.836 1.00 0.00 O ATOM 652 CB SER A 47 -2.100 16.347 -15.944 1.00 0.00 C ATOM 653 OG SER A 47 -1.636 16.773 -17.213 1.00 0.00 O ATOM 0 H SER A 47 -4.093 14.201 -15.234 1.00 0.00 H new ATOM 0 HA SER A 47 -1.578 14.389 -16.664 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.078 16.785 -15.746 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.426 16.708 -15.167 1.00 0.00 H new ATOM 0 HG SER A 47 -2.024 16.205 -17.911 1.00 0.00 H new ATOM 659 N LEU A 48 -0.469 14.763 -14.172 1.00 0.00 N ATOM 660 CA LEU A 48 0.144 14.364 -12.910 1.00 0.00 C ATOM 661 C LEU A 48 -0.719 14.787 -11.726 1.00 0.00 C ATOM 662 O LEU A 48 -1.359 15.839 -11.754 1.00 0.00 O ATOM 663 CB LEU A 48 1.542 14.976 -12.784 1.00 0.00 C ATOM 664 CG LEU A 48 2.676 14.118 -13.345 1.00 0.00 C ATOM 665 CD1 LEU A 48 3.959 14.930 -13.454 1.00 0.00 C ATOM 666 CD2 LEU A 48 2.892 12.889 -12.475 1.00 0.00 C ATOM 0 H LEU A 48 0.100 15.394 -14.737 1.00 0.00 H new ATOM 0 HA LEU A 48 0.228 13.277 -12.903 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.548 15.939 -13.295 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.742 15.173 -11.731 1.00 0.00 H new ATOM 0 HG LEU A 48 2.396 13.787 -14.345 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.754 14.302 -13.855 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.797 15.779 -14.118 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.246 15.292 -12.467 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.703 12.289 -12.888 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.150 13.201 -11.463 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.978 12.296 -12.450 1.00 0.00 H new ATOM 678 N ARG A 49 -0.733 13.960 -10.686 1.00 0.00 N ATOM 679 CA ARG A 49 -1.517 14.247 -9.491 1.00 0.00 C ATOM 680 C ARG A 49 -0.642 14.195 -8.242 1.00 0.00 C ATOM 681 O ARG A 49 0.512 13.771 -8.297 1.00 0.00 O ATOM 682 CB ARG A 49 -2.671 13.250 -9.360 1.00 0.00 C ATOM 683 CG ARG A 49 -3.718 13.385 -10.455 1.00 0.00 C ATOM 684 CD ARG A 49 -3.863 12.101 -11.258 1.00 0.00 C ATOM 685 NE ARG A 49 -5.263 11.739 -11.466 1.00 0.00 N ATOM 686 CZ ARG A 49 -6.047 12.303 -12.382 1.00 0.00 C ATOM 687 NH1 ARG A 49 -5.574 13.256 -13.174 1.00 0.00 N ATOM 688 NH2 ARG A 49 -7.309 11.913 -12.505 1.00 0.00 N ATOM 0 H ARG A 49 -0.210 13.085 -10.647 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.925 15.253 -9.587 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.269 12.237 -9.376 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.151 13.387 -8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.678 13.646 -10.010 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.443 14.202 -11.122 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.372 12.221 -12.224 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.352 11.290 -10.739 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.663 11.011 -10.874 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.605 13.560 -13.083 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.180 13.684 -13.874 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.678 11.181 -11.898 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.910 12.345 -13.207 1.00 0.00 H new ATOM 702 N ARG A 50 -1.201 14.628 -7.117 1.00 0.00 N ATOM 703 CA ARG A 50 -0.471 14.631 -5.854 1.00 0.00 C ATOM 704 C ARG A 50 -1.325 14.046 -4.732 1.00 0.00 C ATOM 705 O ARG A 50 -2.358 14.607 -4.368 1.00 0.00 O ATOM 706 CB ARG A 50 -0.040 16.053 -5.494 1.00 0.00 C ATOM 707 CG ARG A 50 1.220 16.507 -6.212 1.00 0.00 C ATOM 708 CD ARG A 50 2.455 15.810 -5.665 1.00 0.00 C ATOM 709 NE ARG A 50 2.832 16.317 -4.348 1.00 0.00 N ATOM 710 CZ ARG A 50 3.643 15.677 -3.510 1.00 0.00 C ATOM 711 NH1 ARG A 50 4.165 14.505 -3.847 1.00 0.00 N ATOM 712 NH2 ARG A 50 3.934 16.210 -2.331 1.00 0.00 N ATOM 0 H ARG A 50 -2.156 14.981 -7.054 1.00 0.00 H new ATOM 0 HA ARG A 50 0.416 14.009 -5.973 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.851 16.741 -5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.123 16.113 -4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.127 16.301 -7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.332 17.586 -6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.268 14.738 -5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.285 15.947 -6.358 1.00 0.00 H new ATOM 0 HE ARG A 50 2.450 17.216 -4.053 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.945 14.090 -4.753 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.786 14.019 -3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.536 17.111 -2.066 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.556 15.719 -1.689 1.00 0.00 H new ATOM 726 N GLY A 51 -0.885 12.916 -4.190 1.00 0.00 N ATOM 727 CA GLY A 51 -1.620 12.274 -3.116 1.00 0.00 C ATOM 728 C GLY A 51 -0.707 11.633 -2.089 1.00 0.00 C ATOM 729 O GLY A 51 0.510 11.818 -2.130 1.00 0.00 O ATOM 0 H GLY A 51 -0.033 12.433 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.255 13.011 -2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.280 11.514 -3.535 1.00 0.00 H new ATOM 733 N THR A 52 -1.294 10.879 -1.166 1.00 0.00 N ATOM 734 CA THR A 52 -0.526 10.209 -0.123 1.00 0.00 C ATOM 735 C THR A 52 -0.782 8.705 -0.141 1.00 0.00 C ATOM 736 O THR A 52 -1.897 8.260 -0.416 1.00 0.00 O ATOM 737 CB THR A 52 -0.880 10.784 1.248 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.169 12.167 1.154 1.00 0.00 O ATOM 739 CG2 THR A 52 0.222 10.613 2.271 1.00 0.00 C ATOM 0 H THR A 52 -2.300 10.716 -1.119 1.00 0.00 H new ATOM 0 HA THR A 52 0.533 10.381 -0.317 1.00 0.00 H new ATOM 0 HB THR A 52 -1.752 10.221 1.580 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.395 12.515 2.042 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.094 11.043 3.222 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.433 9.552 2.405 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.122 11.121 1.925 1.00 0.00 H new ATOM 747 N VAL A 53 0.256 7.930 0.155 1.00 0.00 N ATOM 748 CA VAL A 53 0.142 6.477 0.173 1.00 0.00 C ATOM 749 C VAL A 53 -0.750 6.009 1.318 1.00 0.00 C ATOM 750 O VAL A 53 -0.548 6.390 2.470 1.00 0.00 O ATOM 751 CB VAL A 53 1.522 5.807 0.307 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.406 4.301 0.123 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.503 6.399 -0.692 1.00 0.00 C ATOM 0 H VAL A 53 1.185 8.284 0.385 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.306 6.184 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 53 1.901 5.999 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.391 3.845 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.740 3.892 0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.004 4.085 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.472 5.913 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.131 6.241 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.610 7.468 -0.507 1.00 0.00 H new ATOM 763 N MET A 54 -1.739 5.183 0.992 1.00 0.00 N ATOM 764 CA MET A 54 -2.663 4.664 1.993 1.00 0.00 C ATOM 765 C MET A 54 -2.535 3.149 2.118 1.00 0.00 C ATOM 766 O MET A 54 -2.435 2.613 3.222 1.00 0.00 O ATOM 767 CB MET A 54 -4.101 5.037 1.632 1.00 0.00 C ATOM 768 CG MET A 54 -4.335 6.536 1.537 1.00 0.00 C ATOM 769 SD MET A 54 -6.059 6.950 1.209 1.00 0.00 S ATOM 770 CE MET A 54 -6.221 6.407 -0.490 1.00 0.00 C ATOM 0 H MET A 54 -1.921 4.859 0.042 1.00 0.00 H new ATOM 0 HA MET A 54 -2.409 5.113 2.953 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.359 4.576 0.678 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.775 4.619 2.380 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.023 7.008 2.468 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.709 6.948 0.745 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.214 6.661 -0.860 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.468 6.901 -1.103 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.080 5.327 -0.542 1.00 0.00 H new ATOM 780 N TYR A 55 -2.539 2.464 0.979 1.00 0.00 N ATOM 781 CA TYR A 55 -2.422 1.011 0.961 1.00 0.00 C ATOM 782 C TYR A 55 -1.407 0.559 -0.084 1.00 0.00 C ATOM 783 O TYR A 55 -1.326 1.130 -1.172 1.00 0.00 O ATOM 784 CB TYR A 55 -3.783 0.373 0.676 1.00 0.00 C ATOM 785 CG TYR A 55 -3.836 -1.107 0.980 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.329 -2.039 0.083 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.392 -1.573 2.166 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.375 -3.393 0.359 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.440 -2.924 2.448 1.00 0.00 C ATOM 790 CZ TYR A 55 -3.931 -3.830 1.542 1.00 0.00 C ATOM 791 OH TYR A 55 -3.978 -5.177 1.820 1.00 0.00 O ATOM 0 H TYR A 55 -2.622 2.892 0.057 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.074 0.687 1.942 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.544 0.884 1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.035 0.529 -0.373 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.892 -1.700 -0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.793 -0.867 2.878 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.977 -4.105 -0.349 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.874 -3.269 3.374 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.400 -5.316 2.694 1.00 0.00 H new ATOM 801 N VAL A 56 -0.636 -0.469 0.253 1.00 0.00 N ATOM 802 CA VAL A 56 0.374 -0.997 -0.655 1.00 0.00 C ATOM 803 C VAL A 56 0.498 -2.511 -0.519 1.00 0.00 C ATOM 804 O VAL A 56 0.971 -3.016 0.499 1.00 0.00 O ATOM 805 CB VAL A 56 1.751 -0.357 -0.399 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.744 -0.773 -1.473 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.631 1.158 -0.331 1.00 0.00 C ATOM 0 H VAL A 56 -0.692 -0.953 1.149 1.00 0.00 H new ATOM 0 HA VAL A 56 0.049 -0.750 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 56 2.123 -0.713 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.711 -0.310 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.853 -1.858 -1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.381 -0.450 -2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.614 1.593 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.236 1.534 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.957 1.434 0.480 1.00 0.00 H new ATOM 817 N GLY A 57 0.071 -3.230 -1.552 1.00 0.00 N ATOM 818 CA GLY A 57 0.143 -4.679 -1.525 1.00 0.00 C ATOM 819 C GLY A 57 -0.724 -5.323 -2.588 1.00 0.00 C ATOM 820 O GLY A 57 -1.077 -4.688 -3.581 1.00 0.00 O ATOM 0 H GLY A 57 -0.323 -2.836 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.178 -4.991 -1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.166 -5.037 -0.543 1.00 0.00 H new ATOM 824 N LEU A 58 -1.067 -6.591 -2.379 1.00 0.00 N ATOM 825 CA LEU A 58 -1.899 -7.323 -3.325 1.00 0.00 C ATOM 826 C LEU A 58 -3.339 -6.821 -3.288 1.00 0.00 C ATOM 827 O LEU A 58 -3.721 -6.070 -2.390 1.00 0.00 O ATOM 828 CB LEU A 58 -1.862 -8.821 -3.016 1.00 0.00 C ATOM 829 CG LEU A 58 -0.461 -9.419 -2.876 1.00 0.00 C ATOM 830 CD1 LEU A 58 -0.489 -10.641 -1.973 1.00 0.00 C ATOM 831 CD2 LEU A 58 0.103 -9.777 -4.244 1.00 0.00 C ATOM 0 H LEU A 58 -0.781 -7.132 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.500 -7.154 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.411 -8.999 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.390 -9.353 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 58 0.189 -8.672 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.517 -11.052 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.851 -10.355 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.153 -11.393 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.100 -10.201 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.547 -10.507 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.161 -8.880 -4.860 1.00 0.00 H new ATOM 843 N THR A 59 -4.132 -7.239 -4.267 1.00 0.00 N ATOM 844 CA THR A 59 -5.530 -6.832 -4.345 1.00 0.00 C ATOM 845 C THR A 59 -6.437 -8.040 -4.561 1.00 0.00 C ATOM 846 O THR A 59 -5.973 -9.179 -4.594 1.00 0.00 O ATOM 847 CB THR A 59 -5.726 -5.821 -5.477 1.00 0.00 C ATOM 848 OG1 THR A 59 -4.720 -5.971 -6.463 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.693 -4.383 -5.005 1.00 0.00 C ATOM 0 H THR A 59 -3.831 -7.860 -5.018 1.00 0.00 H new ATOM 0 HA THR A 59 -5.800 -6.363 -3.399 1.00 0.00 H new ATOM 0 HB THR A 59 -6.714 -6.032 -5.885 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.429 -5.087 -6.770 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.838 -3.717 -5.856 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.488 -4.220 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.729 -4.174 -4.541 1.00 0.00 H new ATOM 857 N ASP A 60 -7.733 -7.783 -4.704 1.00 0.00 N ATOM 858 CA ASP A 60 -8.706 -8.849 -4.914 1.00 0.00 C ATOM 859 C ASP A 60 -9.321 -8.761 -6.308 1.00 0.00 C ATOM 860 O ASP A 60 -9.609 -9.780 -6.934 1.00 0.00 O ATOM 861 CB ASP A 60 -9.804 -8.781 -3.849 1.00 0.00 C ATOM 862 CG ASP A 60 -9.689 -9.895 -2.828 1.00 0.00 C ATOM 863 OD1 ASP A 60 -8.551 -10.326 -2.544 1.00 0.00 O ATOM 864 OD2 ASP A 60 -10.737 -10.338 -2.312 1.00 0.00 O ATOM 0 H ASP A 60 -8.134 -6.845 -4.678 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.187 -9.804 -4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.753 -7.819 -3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.779 -8.835 -4.333 1.00 0.00 H new ATOM 869 N PHE A 61 -9.521 -7.537 -6.785 1.00 0.00 N ATOM 870 CA PHE A 61 -10.105 -7.319 -8.103 1.00 0.00 C ATOM 871 C PHE A 61 -9.065 -7.516 -9.202 1.00 0.00 C ATOM 872 O PHE A 61 -9.392 -7.936 -10.312 1.00 0.00 O ATOM 873 CB PHE A 61 -10.701 -5.914 -8.196 1.00 0.00 C ATOM 874 CG PHE A 61 -9.747 -4.828 -7.785 1.00 0.00 C ATOM 875 CD1 PHE A 61 -8.829 -4.317 -8.688 1.00 0.00 C ATOM 876 CD2 PHE A 61 -9.769 -4.318 -6.498 1.00 0.00 C ATOM 877 CE1 PHE A 61 -7.950 -3.318 -8.314 1.00 0.00 C ATOM 878 CE2 PHE A 61 -8.894 -3.319 -6.118 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.983 -2.817 -7.027 1.00 0.00 C ATOM 0 H PHE A 61 -9.288 -6.682 -6.280 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.899 -8.053 -8.244 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -11.025 -5.733 -9.221 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.590 -5.863 -7.567 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.800 -4.704 -9.696 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -10.479 -4.706 -5.783 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.238 -2.929 -9.027 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.922 -2.931 -5.111 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.299 -2.035 -6.732 1.00 0.00 H new ATOM 889 N LYS A 62 -7.810 -7.211 -8.885 1.00 0.00 N ATOM 890 CA LYS A 62 -6.724 -7.355 -9.848 1.00 0.00 C ATOM 891 C LYS A 62 -5.508 -8.019 -9.206 1.00 0.00 C ATOM 892 O LYS A 62 -5.251 -7.842 -8.015 1.00 0.00 O ATOM 893 CB LYS A 62 -6.333 -5.989 -10.415 1.00 0.00 C ATOM 894 CG LYS A 62 -7.088 -5.617 -11.681 1.00 0.00 C ATOM 895 CD LYS A 62 -7.310 -4.116 -11.777 1.00 0.00 C ATOM 896 CE LYS A 62 -7.079 -3.607 -13.192 1.00 0.00 C ATOM 897 NZ LYS A 62 -8.209 -3.955 -14.097 1.00 0.00 N ATOM 0 H LYS A 62 -7.521 -6.863 -7.971 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.075 -7.992 -10.660 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.512 -5.226 -9.658 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.263 -5.985 -10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.530 -5.960 -12.552 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.050 -6.130 -11.696 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.327 -3.877 -11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.637 -3.603 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.949 -2.525 -13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.155 -4.032 -13.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.014 -3.591 -15.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.317 -4.989 -14.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.086 -3.529 -13.736 1.00 0.00 H new ATOM 911 N PRO A 63 -4.740 -8.796 -9.989 1.00 0.00 N ATOM 912 CA PRO A 63 -3.548 -9.487 -9.491 1.00 0.00 C ATOM 913 C PRO A 63 -2.368 -8.540 -9.301 1.00 0.00 C ATOM 914 O PRO A 63 -2.525 -7.320 -9.341 1.00 0.00 O ATOM 915 CB PRO A 63 -3.248 -10.500 -10.595 1.00 0.00 C ATOM 916 CG PRO A 63 -3.772 -9.868 -11.837 1.00 0.00 C ATOM 917 CD PRO A 63 -4.975 -9.062 -11.423 1.00 0.00 C ATOM 0 HA PRO A 63 -3.712 -9.936 -8.511 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.179 -10.698 -10.672 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.736 -11.455 -10.400 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.017 -9.231 -12.298 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.045 -10.624 -12.573 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.054 -8.137 -11.994 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.901 -9.614 -11.582 1.00 0.00 H new ATOM 925 N GLY A 64 -1.186 -9.111 -9.092 1.00 0.00 N ATOM 926 CA GLY A 64 0.004 -8.304 -8.899 1.00 0.00 C ATOM 927 C GLY A 64 -0.110 -7.379 -7.703 1.00 0.00 C ATOM 928 O GLY A 64 -0.968 -7.571 -6.841 1.00 0.00 O ATOM 0 H GLY A 64 -1.031 -10.118 -9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.866 -8.959 -8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.187 -7.712 -9.796 1.00 0.00 H new ATOM 932 N TYR A 65 0.756 -6.373 -7.650 1.00 0.00 N ATOM 933 CA TYR A 65 0.749 -5.414 -6.552 1.00 0.00 C ATOM 934 C TYR A 65 0.067 -4.115 -6.967 1.00 0.00 C ATOM 935 O TYR A 65 -0.017 -3.797 -8.153 1.00 0.00 O ATOM 936 CB TYR A 65 2.178 -5.127 -6.089 1.00 0.00 C ATOM 937 CG TYR A 65 2.791 -6.251 -5.284 1.00 0.00 C ATOM 938 CD1 TYR A 65 2.198 -6.693 -4.108 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.964 -6.870 -5.699 1.00 0.00 C ATOM 940 CE1 TYR A 65 2.755 -7.719 -3.370 1.00 0.00 C ATOM 941 CE2 TYR A 65 4.527 -7.898 -4.967 1.00 0.00 C ATOM 942 CZ TYR A 65 3.918 -8.318 -3.803 1.00 0.00 C ATOM 943 OH TYR A 65 4.476 -9.341 -3.070 1.00 0.00 O ATOM 0 H TYR A 65 1.472 -6.201 -8.355 1.00 0.00 H new ATOM 0 HA TYR A 65 0.187 -5.850 -5.726 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.802 -4.934 -6.962 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.181 -4.218 -5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.286 -6.227 -3.765 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.444 -6.542 -6.609 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.281 -8.050 -2.458 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.438 -8.370 -5.304 1.00 0.00 H new ATOM 0 HH TYR A 65 4.668 -10.099 -3.660 1.00 0.00 H new ATOM 953 N TRP A 66 -0.420 -3.368 -5.981 1.00 0.00 N ATOM 954 CA TRP A 66 -1.096 -2.103 -6.243 1.00 0.00 C ATOM 955 C TRP A 66 -0.795 -1.088 -5.145 1.00 0.00 C ATOM 956 O TRP A 66 -0.321 -1.447 -4.067 1.00 0.00 O ATOM 957 CB TRP A 66 -2.607 -2.320 -6.353 1.00 0.00 C ATOM 958 CG TRP A 66 -3.022 -2.972 -7.636 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.061 -4.311 -7.901 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.458 -2.312 -8.830 1.00 0.00 C ATOM 961 NE1 TRP A 66 -3.495 -4.524 -9.187 1.00 0.00 N ATOM 962 CE2 TRP A 66 -3.744 -3.313 -9.779 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.634 -0.974 -9.190 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.197 -3.016 -11.061 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.083 -0.680 -10.464 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.360 -1.697 -11.387 1.00 0.00 C ATOM 0 H TRP A 66 -0.359 -3.617 -4.994 1.00 0.00 H new ATOM 0 HA TRP A 66 -0.723 -1.710 -7.189 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.940 -2.935 -5.517 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.112 -1.358 -6.263 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.790 -5.089 -7.202 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.613 -5.435 -9.629 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.423 -0.183 -8.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.412 -3.799 -11.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.223 0.351 -10.753 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -4.709 -1.435 -12.375 1.00 0.00 H new ATOM 977 N VAL A 67 -1.074 0.181 -5.426 1.00 0.00 N ATOM 978 CA VAL A 67 -0.833 1.247 -4.463 1.00 0.00 C ATOM 979 C VAL A 67 -1.982 2.248 -4.452 1.00 0.00 C ATOM 980 O VAL A 67 -2.361 2.786 -5.492 1.00 0.00 O ATOM 981 CB VAL A 67 0.479 1.995 -4.766 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.815 2.964 -3.643 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.616 1.010 -4.990 1.00 0.00 C ATOM 0 H VAL A 67 -1.467 0.495 -6.313 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.755 0.774 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 67 0.343 2.571 -5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.745 3.482 -3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.010 3.692 -3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.931 2.413 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.535 1.557 -5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.754 0.404 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.376 0.363 -5.833 1.00 0.00 H new ATOM 993 N GLY A 68 -2.535 2.493 -3.268 1.00 0.00 N ATOM 994 CA GLY A 68 -3.636 3.430 -3.144 1.00 0.00 C ATOM 995 C GLY A 68 -3.170 4.829 -2.795 1.00 0.00 C ATOM 996 O GLY A 68 -2.395 5.017 -1.857 1.00 0.00 O ATOM 0 H GLY A 68 -2.240 2.060 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.192 3.459 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.324 3.077 -2.376 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.642 5.814 -3.552 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.266 7.203 -3.318 1.00 0.00 C ATOM 1002 C VAL A 69 -4.485 8.119 -3.377 1.00 0.00 C ATOM 1003 O VAL A 69 -5.277 8.053 -4.316 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.226 7.686 -4.346 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.693 9.058 -3.964 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.092 6.680 -4.471 1.00 0.00 C ATOM 0 H VAL A 69 -4.285 5.676 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.827 7.248 -2.321 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.714 7.770 -5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.960 9.382 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.516 9.772 -3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.221 9.005 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.367 7.038 -5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.604 6.560 -3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.492 5.720 -4.797 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.626 8.972 -2.368 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.748 9.901 -2.305 1.00 0.00 C ATOM 1018 C ARG A 70 -5.308 11.310 -2.690 1.00 0.00 C ATOM 1019 O ARG A 70 -4.204 11.739 -2.355 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.354 9.909 -0.900 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.677 10.653 -0.813 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.664 11.688 0.302 1.00 0.00 C ATOM 1023 NE ARG A 70 -6.892 12.874 -0.061 1.00 0.00 N ATOM 1024 CZ ARG A 70 -7.003 14.049 0.555 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -7.851 14.199 1.565 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -6.263 15.077 0.160 1.00 0.00 N ATOM 0 H ARG A 70 -3.978 9.039 -1.583 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.504 9.568 -3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.503 8.880 -0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.644 10.365 -0.210 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.882 11.144 -1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.485 9.942 -0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.687 11.980 0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.243 11.244 1.204 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.229 12.797 -0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.422 13.412 1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.932 15.102 2.033 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.609 14.967 -0.615 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.348 15.977 0.632 1.00 0.00 H new ATOM 1040 N TYR A 71 -6.179 12.026 -3.393 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.881 13.388 -3.823 1.00 0.00 C ATOM 1042 C TYR A 71 -6.840 14.383 -3.177 1.00 0.00 C ATOM 1043 O TYR A 71 -7.924 14.013 -2.728 1.00 0.00 O ATOM 1044 CB TYR A 71 -5.966 13.496 -5.346 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.317 12.341 -6.076 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -3.942 12.298 -6.264 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.081 11.293 -6.574 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.345 11.245 -6.930 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -5.491 10.236 -7.241 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.125 10.216 -7.416 1.00 0.00 C ATOM 1051 OH TYR A 71 -3.535 9.166 -8.080 1.00 0.00 O ATOM 0 H TYR A 71 -7.098 11.686 -3.677 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.866 13.629 -3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.014 13.556 -5.639 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.493 14.426 -5.662 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.329 13.101 -5.883 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.152 11.304 -6.438 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.274 11.227 -7.069 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.099 9.429 -7.623 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.002 9.011 -8.927 1.00 0.00 H new ATOM 1061 N ASP A 72 -6.433 15.648 -3.136 1.00 0.00 N ATOM 1062 CA ASP A 72 -7.257 16.697 -2.547 1.00 0.00 C ATOM 1063 C ASP A 72 -8.476 16.983 -3.418 1.00 0.00 C ATOM 1064 O ASP A 72 -9.603 17.043 -2.927 1.00 0.00 O ATOM 1065 CB ASP A 72 -6.436 17.974 -2.358 1.00 0.00 C ATOM 1066 CG ASP A 72 -5.819 18.066 -0.977 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -6.476 18.616 -0.068 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -4.679 17.585 -0.802 1.00 0.00 O ATOM 0 H ASP A 72 -5.538 15.971 -3.504 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.603 16.351 -1.573 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.646 18.009 -3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.075 18.841 -2.526 1.00 0.00 H new ATOM 1073 N GLU A 73 -8.241 17.159 -4.715 1.00 0.00 N ATOM 1074 CA GLU A 73 -9.319 17.439 -5.657 1.00 0.00 C ATOM 1075 C GLU A 73 -9.874 16.145 -6.247 1.00 0.00 C ATOM 1076 O GLU A 73 -9.267 15.082 -6.113 1.00 0.00 O ATOM 1077 CB GLU A 73 -8.820 18.357 -6.775 1.00 0.00 C ATOM 1078 CG GLU A 73 -9.286 19.797 -6.633 1.00 0.00 C ATOM 1079 CD GLU A 73 -9.525 20.467 -7.972 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -8.820 20.120 -8.943 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -10.416 21.338 -8.050 1.00 0.00 O ATOM 0 H GLU A 73 -7.314 17.113 -5.137 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.122 17.942 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.730 18.336 -6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.161 17.966 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.206 19.821 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.540 20.363 -6.076 1.00 0.00 H new ATOM 1088 N PRO A 74 -11.040 16.217 -6.912 1.00 0.00 N ATOM 1089 CA PRO A 74 -11.673 15.044 -7.524 1.00 0.00 C ATOM 1090 C PRO A 74 -10.868 14.498 -8.698 1.00 0.00 C ATOM 1091 O PRO A 74 -11.205 14.732 -9.859 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.028 15.574 -8.002 1.00 0.00 C ATOM 1093 CG PRO A 74 -12.823 17.039 -8.175 1.00 0.00 C ATOM 1094 CD PRO A 74 -11.832 17.443 -7.121 1.00 0.00 C ATOM 0 HA PRO A 74 -11.752 14.213 -6.823 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.329 15.103 -8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.813 15.367 -7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.447 17.266 -9.173 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.761 17.581 -8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.208 18.273 -7.452 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.328 17.763 -6.204 1.00 0.00 H new ATOM 1102 N LEU A 75 -9.800 13.770 -8.388 1.00 0.00 N ATOM 1103 CA LEU A 75 -8.944 13.190 -9.417 1.00 0.00 C ATOM 1104 C LEU A 75 -8.754 11.695 -9.184 1.00 0.00 C ATOM 1105 O LEU A 75 -7.710 11.132 -9.517 1.00 0.00 O ATOM 1106 CB LEU A 75 -7.585 13.892 -9.436 1.00 0.00 C ATOM 1107 CG LEU A 75 -7.621 15.363 -9.850 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -6.271 16.020 -9.607 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -8.024 15.494 -11.312 1.00 0.00 C ATOM 0 H LEU A 75 -9.507 13.568 -7.432 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.430 13.331 -10.382 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.143 13.821 -8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.925 13.355 -10.118 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.365 15.875 -9.240 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.316 17.067 -9.908 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.021 15.957 -8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.507 15.507 -10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.045 16.548 -11.591 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.303 14.968 -11.937 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.014 15.061 -11.457 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.768 11.057 -8.609 1.00 0.00 N ATOM 1122 CA GLY A 76 -9.692 9.633 -8.341 1.00 0.00 C ATOM 1123 C GLY A 76 -10.614 8.824 -9.232 1.00 0.00 C ATOM 1124 O GLY A 76 -11.322 9.380 -10.073 1.00 0.00 O ATOM 0 H GLY A 76 -10.641 11.501 -8.324 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.666 9.294 -8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.947 9.449 -7.297 1.00 0.00 H new ATOM 1128 N LYS A 77 -10.607 7.507 -9.049 1.00 0.00 N ATOM 1129 CA LYS A 77 -11.448 6.620 -9.843 1.00 0.00 C ATOM 1130 C LYS A 77 -12.279 5.709 -8.944 1.00 0.00 C ATOM 1131 O LYS A 77 -13.482 5.548 -9.151 1.00 0.00 O ATOM 1132 CB LYS A 77 -10.588 5.776 -10.787 1.00 0.00 C ATOM 1133 CG LYS A 77 -9.910 6.588 -11.880 1.00 0.00 C ATOM 1134 CD LYS A 77 -9.953 5.869 -13.219 1.00 0.00 C ATOM 1135 CE LYS A 77 -8.640 5.165 -13.516 1.00 0.00 C ATOM 1136 NZ LYS A 77 -8.720 4.336 -14.750 1.00 0.00 N ATOM 0 H LYS A 77 -10.028 7.031 -8.357 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.126 7.236 -10.433 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.826 5.257 -10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.213 5.011 -11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.400 7.557 -11.971 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.874 6.779 -11.602 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.765 5.141 -13.216 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.170 6.586 -14.011 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.848 5.906 -13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.368 4.532 -12.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.804 3.873 -14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.458 3.612 -14.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.954 4.943 -15.561 1.00 0.00 H new ATOM 1150 N ASN A 78 -11.629 5.118 -7.947 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.309 4.224 -7.017 1.00 0.00 C ATOM 1152 C ASN A 78 -12.741 4.974 -5.760 1.00 0.00 C ATOM 1153 O ASN A 78 -12.532 6.181 -5.644 1.00 0.00 O ATOM 1154 CB ASN A 78 -11.397 3.057 -6.639 1.00 0.00 C ATOM 1155 CG ASN A 78 -11.080 2.164 -7.824 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -11.545 1.028 -7.902 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -10.284 2.679 -8.755 1.00 0.00 N ATOM 0 H ASN A 78 -10.634 5.242 -7.762 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.199 3.835 -7.511 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.468 3.446 -6.222 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.874 2.465 -5.858 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.036 2.127 -9.576 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.921 3.626 -8.649 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.343 4.250 -4.822 1.00 0.00 N ATOM 1165 CA ASP A 79 -13.804 4.847 -3.575 1.00 0.00 C ATOM 1166 C ASP A 79 -13.294 4.059 -2.371 1.00 0.00 C ATOM 1167 O ASP A 79 -13.933 4.032 -1.320 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.333 4.906 -3.548 1.00 0.00 C ATOM 1169 CG ASP A 79 -15.967 3.531 -3.622 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -15.396 2.650 -4.300 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -17.033 3.334 -3.001 1.00 0.00 O ATOM 0 H ASP A 79 -13.523 3.249 -4.902 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.406 5.860 -3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.658 5.404 -2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.685 5.511 -4.384 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.139 3.421 -2.534 1.00 0.00 N ATOM 1177 CA GLY A 80 -11.565 2.643 -1.452 1.00 0.00 C ATOM 1178 C GLY A 80 -12.052 1.208 -1.445 1.00 0.00 C ATOM 1179 O GLY A 80 -11.251 0.274 -1.396 1.00 0.00 O ATOM 0 H GLY A 80 -11.591 3.429 -3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.478 2.654 -1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.814 3.112 -0.500 1.00 0.00 H new ATOM 1183 N SER A 81 -13.368 1.031 -1.492 1.00 0.00 N ATOM 1184 CA SER A 81 -13.961 -0.302 -1.491 1.00 0.00 C ATOM 1185 C SER A 81 -14.233 -0.780 -2.913 1.00 0.00 C ATOM 1186 O SER A 81 -15.061 -0.210 -3.623 1.00 0.00 O ATOM 1187 CB SER A 81 -15.260 -0.304 -0.683 1.00 0.00 C ATOM 1188 OG SER A 81 -15.021 0.042 0.670 1.00 0.00 O ATOM 0 H SER A 81 -14.044 1.793 -1.531 1.00 0.00 H new ATOM 0 HA SER A 81 -13.251 -0.987 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.966 0.401 -1.122 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.721 -1.290 -0.733 1.00 0.00 H new ATOM 0 HG SER A 81 -15.867 0.035 1.164 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.529 -1.831 -3.323 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.695 -2.388 -4.661 1.00 0.00 C ATOM 1196 C VAL A 82 -14.096 -3.858 -4.595 1.00 0.00 C ATOM 1197 O VAL A 82 -13.363 -4.688 -4.058 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.405 -2.259 -5.491 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.667 -2.616 -6.946 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -11.833 -0.853 -5.375 1.00 0.00 C ATOM 0 H VAL A 82 -12.839 -2.314 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.486 -1.816 -5.145 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.670 -2.960 -5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.743 -2.519 -7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.026 -3.643 -7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.419 -1.942 -7.356 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.921 -0.781 -5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.563 -0.132 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.604 -0.638 -4.331 1.00 0.00 H new ATOM 1210 N ASN A 83 -15.264 -4.172 -5.146 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.763 -5.542 -5.151 1.00 0.00 C ATOM 1212 C ASN A 83 -15.976 -6.050 -3.730 1.00 0.00 C ATOM 1213 O ASN A 83 -15.865 -7.247 -3.463 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.790 -6.460 -5.893 1.00 0.00 C ATOM 1215 CG ASN A 83 -15.078 -6.525 -7.380 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -15.408 -5.382 -7.970 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -15.005 -7.591 -7.992 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.882 -3.496 -5.595 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.723 -5.549 -5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.771 -6.106 -5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.847 -7.463 -5.470 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.748 -8.446 -7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.202 -7.619 -8.992 1.00 0.00 H new ATOM 1224 N GLY A 84 -16.283 -5.132 -2.820 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.508 -5.505 -1.436 1.00 0.00 C ATOM 1226 C GLY A 84 -15.269 -5.335 -0.577 1.00 0.00 C ATOM 1227 O GLY A 84 -15.368 -5.066 0.620 1.00 0.00 O ATOM 0 H GLY A 84 -16.380 -4.136 -3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -17.315 -4.898 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.836 -6.543 -1.392 1.00 0.00 H new ATOM 1231 N LYS A 85 -14.099 -5.494 -1.189 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.837 -5.356 -0.472 1.00 0.00 C ATOM 1233 C LYS A 85 -12.485 -3.887 -0.268 1.00 0.00 C ATOM 1234 O LYS A 85 -12.536 -3.090 -1.205 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.714 -6.063 -1.234 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.731 -6.792 -0.331 1.00 0.00 C ATOM 1237 CD LYS A 85 -9.298 -6.614 -0.806 1.00 0.00 C ATOM 1238 CE LYS A 85 -8.339 -6.459 0.364 1.00 0.00 C ATOM 1239 NZ LYS A 85 -8.230 -5.043 0.814 1.00 0.00 N ATOM 0 H LYS A 85 -13.999 -5.718 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.951 -5.822 0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.153 -6.777 -1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.172 -5.328 -1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.826 -6.418 0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.977 -7.853 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.004 -7.474 -1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.233 -5.737 -1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.678 -7.078 1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.353 -6.824 0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.634 -4.994 1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.803 -4.470 0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.177 -4.675 1.034 1.00 0.00 H new ATOM 1253 N ARG A 86 -12.129 -3.533 0.962 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.770 -2.158 1.289 1.00 0.00 C ATOM 1255 C ARG A 86 -10.266 -2.027 1.515 1.00 0.00 C ATOM 1256 O ARG A 86 -9.629 -2.929 2.059 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.528 -1.693 2.533 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.276 -0.238 2.890 1.00 0.00 C ATOM 1259 CD ARG A 86 -12.861 0.112 4.249 1.00 0.00 C ATOM 1260 NE ARG A 86 -11.837 0.162 5.290 1.00 0.00 N ATOM 1261 CZ ARG A 86 -11.998 0.773 6.461 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -13.140 1.388 6.745 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -11.016 0.770 7.351 1.00 0.00 N ATOM 0 H ARG A 86 -12.081 -4.180 1.749 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.048 -1.526 0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.596 -1.839 2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.243 -2.320 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.203 -0.044 2.894 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.714 0.406 2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.364 1.077 4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.617 -0.626 4.519 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.945 -0.299 5.108 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.899 1.394 6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.258 1.855 7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.136 0.299 7.138 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.140 1.238 8.249 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.707 -0.896 1.093 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.279 -0.645 1.250 1.00 0.00 C ATOM 1279 C TYR A 87 -8.035 0.592 2.107 1.00 0.00 C ATOM 1280 O TYR A 87 -7.339 0.530 3.121 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.617 -0.470 -0.119 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.694 -1.703 -0.992 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -8.825 -1.968 -1.754 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.636 -2.601 -1.053 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -8.899 -3.093 -2.553 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -6.703 -3.728 -1.850 1.00 0.00 C ATOM 1287 CZ TYR A 87 -7.836 -3.970 -2.596 1.00 0.00 C ATOM 1288 OH TYR A 87 -7.907 -5.091 -3.390 1.00 0.00 O ATOM 0 H TYR A 87 -10.221 -0.140 0.640 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.837 -1.506 1.752 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.091 0.363 -0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.570 -0.202 0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.660 -1.284 -1.721 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.747 -2.416 -0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.785 -3.284 -3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.871 -4.416 -1.888 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.331 -4.861 -4.243 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.613 1.716 1.694 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.458 2.968 2.425 1.00 0.00 C ATOM 1300 C PHE A 88 -9.816 3.557 2.791 1.00 0.00 C ATOM 1301 O PHE A 88 -10.858 2.958 2.522 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.662 3.975 1.593 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.266 4.253 0.246 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -9.330 5.130 0.117 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -7.767 3.637 -0.892 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -9.887 5.389 -1.122 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -8.320 3.892 -2.132 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.381 4.769 -2.247 1.00 0.00 C ATOM 0 H PHE A 88 -9.193 1.785 0.857 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.914 2.756 3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.584 4.910 2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.648 3.600 1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.729 5.617 0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.937 2.951 -0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.716 6.075 -1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.923 3.406 -3.011 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.814 4.969 -3.216 1.00 0.00 H new ATOM 1318 N GLU A 89 -9.799 4.735 3.408 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.029 5.406 3.812 1.00 0.00 C ATOM 1320 C GLU A 89 -11.159 6.762 3.126 1.00 0.00 C ATOM 1321 O GLU A 89 -10.421 7.697 3.432 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.061 5.586 5.332 1.00 0.00 C ATOM 1323 CG GLU A 89 -11.019 4.276 6.100 1.00 0.00 C ATOM 1324 CD GLU A 89 -9.641 3.970 6.654 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -8.782 3.497 5.880 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -9.421 4.201 7.861 1.00 0.00 O ATOM 0 H GLU A 89 -8.946 5.244 3.639 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.870 4.783 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.214 6.202 5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.965 6.130 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.736 4.317 6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.331 3.464 5.444 1.00 0.00 H new ATOM 1333 N CYS A 90 -12.104 6.861 2.196 1.00 0.00 N ATOM 1334 CA CYS A 90 -12.332 8.102 1.466 1.00 0.00 C ATOM 1335 C CYS A 90 -13.515 7.964 0.514 1.00 0.00 C ATOM 1336 O CYS A 90 -13.981 6.857 0.244 1.00 0.00 O ATOM 1337 CB CYS A 90 -11.077 8.496 0.685 1.00 0.00 C ATOM 1338 SG CYS A 90 -10.924 10.273 0.382 1.00 0.00 S ATOM 0 H CYS A 90 -12.724 6.096 1.931 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.561 8.884 2.190 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.199 8.155 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.078 7.974 -0.272 1.00 0.00 H new ATOM 0 HG CYS A 90 -11.500 10.572 -0.744 1.00 0.00 H new ATOM 1344 N GLN A 91 -13.998 9.095 0.010 1.00 0.00 N ATOM 1345 CA GLN A 91 -15.128 9.100 -0.911 1.00 0.00 C ATOM 1346 C GLN A 91 -14.702 8.627 -2.298 1.00 0.00 C ATOM 1347 O GLN A 91 -13.575 8.169 -2.489 1.00 0.00 O ATOM 1348 CB GLN A 91 -15.735 10.503 -0.999 1.00 0.00 C ATOM 1349 CG GLN A 91 -17.254 10.512 -0.944 1.00 0.00 C ATOM 1350 CD GLN A 91 -17.799 11.633 -0.082 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -17.716 11.584 1.145 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -18.362 12.652 -0.721 1.00 0.00 N ATOM 0 H GLN A 91 -13.624 10.020 0.224 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.880 8.410 -0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -15.346 11.110 -0.181 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.410 10.973 -1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -17.650 10.610 -1.955 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -17.606 9.556 -0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -18.409 12.652 -1.740 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -18.747 13.435 -0.193 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.610 8.738 -3.261 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.327 8.322 -4.630 1.00 0.00 C ATOM 1363 C ALA A 92 -14.659 9.442 -5.419 1.00 0.00 C ATOM 1364 O ALA A 92 -14.786 10.618 -5.077 1.00 0.00 O ATOM 1365 CB ALA A 92 -16.608 7.879 -5.322 1.00 0.00 C ATOM 0 H ALA A 92 -16.548 9.112 -3.119 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.636 7.480 -4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.382 7.571 -6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.044 7.041 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.316 8.707 -5.341 1.00 0.00 H new ATOM 1371 N LYS A 93 -13.946 9.069 -6.477 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.258 10.042 -7.317 1.00 0.00 C ATOM 1373 C LYS A 93 -12.225 10.824 -6.510 1.00 0.00 C ATOM 1374 O LYS A 93 -12.063 12.030 -6.694 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.264 11.005 -7.949 1.00 0.00 C ATOM 1376 CG LYS A 93 -15.184 10.343 -8.962 1.00 0.00 C ATOM 1377 CD LYS A 93 -16.579 10.950 -8.928 1.00 0.00 C ATOM 1378 CE LYS A 93 -17.557 10.064 -8.171 1.00 0.00 C ATOM 1379 NZ LYS A 93 -18.735 9.699 -9.005 1.00 0.00 N ATOM 0 H LYS A 93 -13.830 8.100 -6.773 1.00 0.00 H new ATOM 0 HA LYS A 93 -12.740 9.499 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -14.868 11.455 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -13.722 11.815 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -14.763 10.451 -9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -15.246 9.275 -8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.538 11.932 -8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -16.936 11.100 -9.947 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.048 9.157 -7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.894 10.581 -7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.377 9.095 -8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.236 10.563 -9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -18.416 9.184 -9.850 1.00 0.00 H new ATOM 1393 N TYR A 94 -11.531 10.129 -5.616 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.514 10.758 -4.781 1.00 0.00 C ATOM 1395 C TYR A 94 -9.320 9.829 -4.586 1.00 0.00 C ATOM 1396 O TYR A 94 -8.171 10.238 -4.745 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.105 11.140 -3.423 1.00 0.00 C ATOM 1398 CG TYR A 94 -12.001 12.357 -3.472 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.626 13.493 -4.180 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.223 12.370 -2.810 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -12.443 14.606 -4.226 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -14.045 13.480 -2.852 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.652 14.594 -3.561 1.00 0.00 C ATOM 1404 OH TYR A 94 -14.468 15.702 -3.604 1.00 0.00 O ATOM 0 H TYR A 94 -11.654 9.130 -5.451 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.171 11.660 -5.287 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.674 10.296 -3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.292 11.326 -2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.681 13.506 -4.702 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -13.535 11.498 -2.254 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -12.137 15.481 -4.780 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -14.991 13.474 -2.331 1.00 0.00 H new ATOM 0 HH TYR A 94 -15.281 15.529 -3.085 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.602 8.576 -4.242 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.542 7.608 -4.032 1.00 0.00 C ATOM 1416 C GLY A 95 -8.363 6.679 -5.217 1.00 0.00 C ATOM 1417 O GLY A 95 -9.015 5.639 -5.302 1.00 0.00 O ATOM 0 H GLY A 95 -10.546 8.214 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.606 8.134 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.763 7.019 -3.142 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.476 7.055 -6.133 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.213 6.249 -7.319 1.00 0.00 C ATOM 1423 C ALA A 96 -6.324 5.056 -6.984 1.00 0.00 C ATOM 1424 O ALA A 96 -5.628 5.052 -5.969 1.00 0.00 O ATOM 1425 CB ALA A 96 -6.572 7.101 -8.404 1.00 0.00 C ATOM 0 H ALA A 96 -6.927 7.913 -6.076 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.165 5.867 -7.689 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.381 6.487 -9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.244 7.917 -8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.631 7.511 -8.037 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.350 4.045 -7.847 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.546 2.845 -7.644 1.00 0.00 C ATOM 1433 C PHE A 97 -4.542 2.665 -8.777 1.00 0.00 C ATOM 1434 O PHE A 97 -4.910 2.309 -9.896 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.447 1.613 -7.545 1.00 0.00 C ATOM 1436 CG PHE A 97 -6.972 1.364 -6.159 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.109 1.313 -5.076 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.327 1.180 -5.940 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -6.589 1.083 -3.801 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -8.813 0.951 -4.667 1.00 0.00 C ATOM 1441 CZ PHE A 97 -7.943 0.902 -3.596 1.00 0.00 C ATOM 0 H PHE A 97 -6.919 4.033 -8.693 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.996 2.960 -6.710 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.288 1.732 -8.228 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.889 0.737 -7.876 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.049 1.455 -5.230 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.012 1.216 -6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.906 1.045 -2.965 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.872 0.810 -4.510 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.320 0.723 -2.600 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.270 2.910 -8.477 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.211 2.775 -9.470 1.00 0.00 C ATOM 1453 C VAL A 98 -1.194 1.721 -9.045 1.00 0.00 C ATOM 1454 O VAL A 98 -1.323 1.112 -7.984 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.481 4.111 -9.701 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.384 5.092 -10.434 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.008 4.696 -8.379 1.00 0.00 C ATOM 0 H VAL A 98 -2.948 3.203 -7.554 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.687 2.466 -10.400 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.606 3.924 -10.323 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.852 6.031 -10.589 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.669 4.673 -11.399 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.279 5.276 -9.840 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.494 5.640 -8.562 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.866 4.870 -7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.324 3.998 -7.896 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.183 1.510 -9.881 1.00 0.00 N ATOM 1468 CA LYS A 99 0.856 0.528 -9.593 1.00 0.00 C ATOM 1469 C LYS A 99 2.163 1.215 -9.201 1.00 0.00 C ATOM 1470 O LYS A 99 2.415 2.355 -9.587 1.00 0.00 O ATOM 1471 CB LYS A 99 1.084 -0.375 -10.806 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.202 -0.876 -11.442 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.798 -2.033 -10.657 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.149 -3.355 -11.035 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.131 -4.475 -11.039 1.00 0.00 N ATOM 0 H LYS A 99 -0.061 2.006 -10.764 1.00 0.00 H new ATOM 0 HA LYS A 99 0.522 -0.081 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.660 0.172 -11.553 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.687 -1.231 -10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -0.924 -0.061 -11.496 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.003 -1.194 -12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.668 -1.855 -9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.871 -2.086 -10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.305 -3.267 -12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.654 -3.579 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.690 -5.325 -10.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.961 -4.211 -10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.428 -4.672 -12.016 1.00 0.00 H new ATOM 1489 N PRO A 100 3.015 0.520 -8.420 1.00 0.00 N ATOM 1490 CA PRO A 100 4.300 1.065 -7.979 1.00 0.00 C ATOM 1491 C PRO A 100 5.044 1.724 -9.129 1.00 0.00 C ATOM 1492 O PRO A 100 5.433 2.889 -9.048 1.00 0.00 O ATOM 1493 CB PRO A 100 5.050 -0.169 -7.483 1.00 0.00 C ATOM 1494 CG PRO A 100 3.979 -1.097 -7.020 1.00 0.00 C ATOM 1495 CD PRO A 100 2.791 -0.848 -7.913 1.00 0.00 C ATOM 0 HA PRO A 100 4.193 1.839 -7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.647 -0.617 -8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.735 0.082 -6.673 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.307 -2.134 -7.088 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.727 -0.911 -5.976 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.742 -1.573 -8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.853 -0.922 -7.362 1.00 0.00 H new ATOM 1503 N SER A 101 5.214 0.972 -10.213 1.00 0.00 N ATOM 1504 CA SER A 101 5.883 1.487 -11.396 1.00 0.00 C ATOM 1505 C SER A 101 5.180 2.750 -11.877 1.00 0.00 C ATOM 1506 O SER A 101 5.779 3.593 -12.544 1.00 0.00 O ATOM 1507 CB SER A 101 5.893 0.433 -12.507 1.00 0.00 C ATOM 1508 OG SER A 101 7.055 -0.374 -12.433 1.00 0.00 O ATOM 0 H SER A 101 4.897 0.006 -10.293 1.00 0.00 H new ATOM 0 HA SER A 101 6.915 1.728 -11.140 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.005 -0.194 -12.426 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.849 0.924 -13.479 1.00 0.00 H new ATOM 0 HG SER A 101 7.083 -0.828 -11.565 1.00 0.00 H new ATOM 1514 N ALA A 102 3.903 2.879 -11.516 1.00 0.00 N ATOM 1515 CA ALA A 102 3.120 4.046 -11.891 1.00 0.00 C ATOM 1516 C ALA A 102 3.161 5.103 -10.790 1.00 0.00 C ATOM 1517 O ALA A 102 2.765 6.248 -11.003 1.00 0.00 O ATOM 1518 CB ALA A 102 1.682 3.645 -12.187 1.00 0.00 C ATOM 0 H ALA A 102 3.394 2.188 -10.965 1.00 0.00 H new ATOM 0 HA ALA A 102 3.556 4.475 -12.793 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.108 4.529 -12.466 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.666 2.928 -13.007 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.241 3.191 -11.300 1.00 0.00 H new ATOM 1524 N VAL A 103 3.645 4.711 -9.611 1.00 0.00 N ATOM 1525 CA VAL A 103 3.737 5.629 -8.482 1.00 0.00 C ATOM 1526 C VAL A 103 5.109 6.293 -8.425 1.00 0.00 C ATOM 1527 O VAL A 103 6.085 5.771 -8.967 1.00 0.00 O ATOM 1528 CB VAL A 103 3.472 4.909 -7.147 1.00 0.00 C ATOM 1529 CG1 VAL A 103 3.378 5.911 -6.008 1.00 0.00 C ATOM 1530 CG2 VAL A 103 2.207 4.070 -7.236 1.00 0.00 C ATOM 0 H VAL A 103 3.978 3.767 -9.416 1.00 0.00 H new ATOM 0 HA VAL A 103 2.972 6.391 -8.632 1.00 0.00 H new ATOM 0 HB VAL A 103 4.309 4.242 -6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.190 5.383 -5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.315 6.463 -5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.561 6.607 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.035 3.568 -6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.358 4.715 -7.465 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.319 3.325 -8.024 1.00 0.00 H new ATOM 1540 N THR A 104 5.178 7.444 -7.766 1.00 0.00 N ATOM 1541 CA THR A 104 6.432 8.178 -7.638 1.00 0.00 C ATOM 1542 C THR A 104 6.525 8.865 -6.279 1.00 0.00 C ATOM 1543 O THR A 104 5.835 9.853 -6.024 1.00 0.00 O ATOM 1544 CB THR A 104 6.556 9.215 -8.756 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.176 8.658 -10.002 1.00 0.00 O ATOM 1546 CG2 THR A 104 7.957 9.766 -8.909 1.00 0.00 C ATOM 0 H THR A 104 4.381 7.889 -7.312 1.00 0.00 H new ATOM 0 HA THR A 104 7.252 7.464 -7.721 1.00 0.00 H new ATOM 0 HB THR A 104 5.891 10.030 -8.468 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.261 9.337 -10.703 1.00 0.00 H new ATOM 0 HG21 THR A 104 7.975 10.496 -9.719 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.262 10.247 -7.980 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.645 8.952 -9.139 1.00 0.00 H new ATOM 1554 N VAL A 105 7.382 8.337 -5.413 1.00 0.00 N ATOM 1555 CA VAL A 105 7.565 8.899 -4.080 1.00 0.00 C ATOM 1556 C VAL A 105 8.366 10.196 -4.136 1.00 0.00 C ATOM 1557 O VAL A 105 9.462 10.237 -4.696 1.00 0.00 O ATOM 1558 CB VAL A 105 8.283 7.907 -3.144 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.310 8.439 -1.720 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.613 6.542 -3.198 1.00 0.00 C ATOM 0 H VAL A 105 7.961 7.521 -5.610 1.00 0.00 H new ATOM 0 HA VAL A 105 6.570 9.105 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 105 9.312 7.795 -3.484 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.821 7.725 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.839 9.392 -1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.289 8.583 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 105 8.133 5.855 -2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.573 6.634 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.652 6.158 -4.217 1.00 0.00 H new ATOM 1570 N GLY A 106 7.811 11.255 -3.554 1.00 0.00 N ATOM 1571 CA GLY A 106 8.487 12.538 -3.548 1.00 0.00 C ATOM 1572 C GLY A 106 8.917 12.962 -2.157 1.00 0.00 C ATOM 1573 O GLY A 106 9.906 13.677 -1.997 1.00 0.00 O ATOM 0 H GLY A 106 6.905 11.246 -3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.362 12.487 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.825 13.296 -3.967 1.00 0.00 H new