USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 926 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 99 MET CE :methyl 163:sc= -1.84 (180deg=-4) USER MOD Set 1.2: A 104 SER OG : rot -23:sc= -0.217 USER MOD Set 2.1: A 88 ASN : amide:sc= -1.2! C(o=-0.37!,f=-16!) USER MOD Set 2.2: A 90 SER OG : rot 19:sc= 0.835 USER MOD Set 2.3: A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-9.9!) USER MOD Single : A 21 ASN :FLIP amide:sc= -10.5! C(o=-18!,f=-11!) USER MOD Single : A 25 MET CE :methyl -126:sc= -2.2 (180deg=-3.34!) USER MOD Single : A 27 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.96) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= -0.0509 (180deg=-0.303) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.0759 (180deg=-0.349) USER MOD Single : A 34 SER OG : rot -1:sc= 0.318 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -29:sc= 0.749 USER MOD Single : A 41 LYS NZ :NH3+ -115:sc= -2.01! (180deg=-5.55!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 173:sc= -9.39! (180deg=-10.1!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.397 USER MOD Single : A 60 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.12) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 72 LYS NZ :NH3+ -123:sc= -0.693 (180deg=-1.04) USER MOD Single : A 98 LYS NZ :NH3+ 156:sc= -0.0153 (180deg=-0.246) USER MOD Single : A 100 LYS NZ :NH3+ -137:sc= -0.0107 (180deg=-0.69) USER MOD Single : A 102 LYS NZ :NH3+ -175:sc= -3.94! (180deg=-4.23!) USER MOD Single : A 106 THR OG1 : rot -74:sc= 1.11 USER MOD Single : A 115 ASN :FLIP amide:sc= -0.739 F(o=-2.6!,f=-0.74) USER MOD Single : A 123 THR OG1 : rot 40:sc= 0.687 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 6 -21.168 6.721 -2.191 1.00 2.36 N ATOM 2 CA HIS A 6 -21.626 5.442 -2.790 1.00 1.81 C ATOM 3 C HIS A 6 -20.776 4.275 -2.297 1.00 1.54 C ATOM 4 O HIS A 6 -21.255 3.415 -1.557 1.00 2.00 O ATOM 5 CB HIS A 6 -21.563 5.523 -4.318 1.00 2.21 C ATOM 6 CG HIS A 6 -22.064 4.291 -5.006 1.00 2.82 C ATOM 7 ND1 HIS A 6 -21.231 3.385 -5.629 1.00 3.41 N ATOM 8 CD2 HIS A 6 -23.322 3.817 -5.169 1.00 3.57 C ATOM 9 CE1 HIS A 6 -21.956 2.409 -6.148 1.00 4.24 C ATOM 10 NE2 HIS A 6 -23.226 2.648 -5.883 1.00 4.35 N ATOM 0 HA HIS A 6 -22.658 5.272 -2.482 1.00 1.81 H new ATOM 0 HB2 HIS A 6 -22.149 6.379 -4.652 1.00 2.21 H new ATOM 0 HB3 HIS A 6 -20.532 5.704 -4.621 1.00 2.21 H new ATOM 0 HD2 HIS A 6 -24.231 4.273 -4.805 1.00 3.57 H new ATOM 0 HE1 HIS A 6 -21.574 1.560 -6.696 1.00 4.24 H new ATOM 0 HE2 HIS A 6 -24.010 2.059 -6.163 1.00 4.35 H new ATOM 21 N ARG A 7 -19.513 4.253 -2.711 1.00 1.10 N ATOM 22 CA ARG A 7 -18.596 3.191 -2.312 1.00 0.83 C ATOM 23 C ARG A 7 -17.238 3.759 -1.917 1.00 0.78 C ATOM 24 O ARG A 7 -16.466 3.103 -1.219 1.00 1.40 O ATOM 25 CB ARG A 7 -18.443 2.167 -3.445 1.00 0.82 C ATOM 26 CG ARG A 7 -17.212 1.275 -3.328 1.00 1.06 C ATOM 27 CD ARG A 7 -17.241 0.428 -2.064 1.00 0.46 C ATOM 28 NE ARG A 7 -18.404 -0.457 -2.026 1.00 1.67 N ATOM 29 CZ ARG A 7 -18.606 -1.453 -2.885 1.00 2.48 C ATOM 30 NH1 ARG A 7 -17.730 -1.690 -3.853 1.00 2.54 N ATOM 31 NH2 ARG A 7 -19.688 -2.211 -2.780 1.00 3.65 N ATOM 0 H ARG A 7 -19.101 4.958 -3.322 1.00 1.10 H new ATOM 0 HA ARG A 7 -19.015 2.689 -1.440 1.00 0.83 H new ATOM 0 HB2 ARG A 7 -19.332 1.537 -3.471 1.00 0.82 H new ATOM 0 HB3 ARG A 7 -18.402 2.699 -4.396 1.00 0.82 H new ATOM 0 HG2 ARG A 7 -17.152 0.624 -4.200 1.00 1.06 H new ATOM 0 HG3 ARG A 7 -16.314 1.893 -3.330 1.00 1.06 H new ATOM 0 HD2 ARG A 7 -16.330 -0.167 -2.005 1.00 0.46 H new ATOM 0 HD3 ARG A 7 -17.253 1.080 -1.191 1.00 0.46 H new ATOM 0 HE ARG A 7 -19.102 -0.302 -1.298 1.00 1.67 H new ATOM 0 HH11 ARG A 7 -16.897 -1.108 -3.941 1.00 2.54 H new ATOM 0 HH12 ARG A 7 -17.889 -2.455 -4.509 1.00 2.54 H new ATOM 0 HH21 ARG A 7 -20.367 -2.031 -2.040 1.00 3.65 H new ATOM 0 HH22 ARG A 7 -19.842 -2.974 -3.439 1.00 3.65 H new ATOM 45 N SER A 8 -16.960 4.986 -2.352 1.00 0.65 N ATOM 46 CA SER A 8 -15.689 5.639 -2.045 1.00 0.51 C ATOM 47 C SER A 8 -15.310 5.424 -0.585 1.00 0.42 C ATOM 48 O SER A 8 -15.749 6.157 0.300 1.00 0.51 O ATOM 49 CB SER A 8 -15.759 7.137 -2.346 1.00 0.55 C ATOM 50 OG SER A 8 -15.982 7.371 -3.726 1.00 1.26 O ATOM 0 H SER A 8 -17.597 5.548 -2.917 1.00 0.65 H new ATOM 0 HA SER A 8 -14.924 5.190 -2.678 1.00 0.51 H new ATOM 0 HB2 SER A 8 -16.560 7.591 -1.763 1.00 0.55 H new ATOM 0 HB3 SER A 8 -14.830 7.617 -2.038 1.00 0.55 H new ATOM 0 HG SER A 8 -16.024 8.336 -3.892 1.00 1.26 H new ATOM 56 N ALA A 9 -14.489 4.409 -0.352 1.00 0.33 N ATOM 57 CA ALA A 9 -14.046 4.070 0.989 1.00 0.33 C ATOM 58 C ALA A 9 -13.192 5.184 1.583 1.00 0.43 C ATOM 59 O ALA A 9 -13.098 6.275 1.019 1.00 1.08 O ATOM 60 CB ALA A 9 -13.274 2.760 0.956 1.00 0.26 C ATOM 0 H ALA A 9 -14.115 3.803 -1.082 1.00 0.33 H new ATOM 0 HA ALA A 9 -14.922 3.952 1.627 1.00 0.33 H new ATOM 0 HB1 ALA A 9 -12.943 2.508 1.963 1.00 0.26 H new ATOM 0 HB2 ALA A 9 -13.919 1.967 0.577 1.00 0.26 H new ATOM 0 HB3 ALA A 9 -12.407 2.865 0.304 1.00 0.26 H new ATOM 66 N ASN A 10 -12.576 4.905 2.725 1.00 0.33 N ATOM 67 CA ASN A 10 -11.733 5.885 3.394 1.00 0.33 C ATOM 68 C ASN A 10 -10.352 5.955 2.750 1.00 0.24 C ATOM 69 O ASN A 10 -9.338 6.017 3.447 1.00 0.27 O ATOM 70 CB ASN A 10 -11.599 5.548 4.881 1.00 0.44 C ATOM 71 CG ASN A 10 -12.893 5.758 5.641 1.00 0.88 C ATOM 72 OD1 ASN A 10 -13.722 4.854 5.743 1.00 1.75 O ATOM 73 ND2 ASN A 10 -13.073 6.959 6.181 1.00 1.39 N ATOM 0 H ASN A 10 -12.645 4.008 3.206 1.00 0.33 H new ATOM 0 HA ASN A 10 -12.209 6.860 3.291 1.00 0.33 H new ATOM 0 HB2 ASN A 10 -11.282 4.511 4.988 1.00 0.44 H new ATOM 0 HB3 ASN A 10 -10.818 6.167 5.322 1.00 0.44 H new ATOM 0 HD21 ASN A 10 -13.925 7.160 6.705 1.00 1.39 H new ATOM 0 HD22 ASN A 10 -12.359 7.679 6.072 1.00 1.39 H new ATOM 80 N LEU A 11 -10.311 5.935 1.418 1.00 0.16 N ATOM 81 CA LEU A 11 -9.045 6.010 0.702 1.00 0.12 C ATOM 82 C LEU A 11 -8.342 7.309 1.022 1.00 0.12 C ATOM 83 O LEU A 11 -7.146 7.448 0.815 1.00 0.22 O ATOM 84 CB LEU A 11 -9.263 5.967 -0.797 1.00 0.11 C ATOM 85 CG LEU A 11 -10.150 4.848 -1.307 1.00 0.12 C ATOM 86 CD1 LEU A 11 -10.834 5.290 -2.579 1.00 0.14 C ATOM 87 CD2 LEU A 11 -9.346 3.585 -1.554 1.00 0.11 C ATOM 0 H LEU A 11 -11.135 5.868 0.820 1.00 0.16 H new ATOM 0 HA LEU A 11 -8.445 5.156 1.015 1.00 0.12 H new ATOM 0 HB2 LEU A 11 -9.695 6.918 -1.109 1.00 0.11 H new ATOM 0 HB3 LEU A 11 -8.291 5.884 -1.283 1.00 0.11 H new ATOM 0 HG LEU A 11 -10.900 4.623 -0.549 1.00 0.12 H new ATOM 0 HD11 LEU A 11 -11.472 4.487 -2.947 1.00 0.14 H new ATOM 0 HD12 LEU A 11 -11.441 6.173 -2.378 1.00 0.14 H new ATOM 0 HD13 LEU A 11 -10.083 5.530 -3.331 1.00 0.14 H new ATOM 0 HD21 LEU A 11 -10.007 2.799 -1.919 1.00 0.11 H new ATOM 0 HD22 LEU A 11 -8.574 3.785 -2.297 1.00 0.11 H new ATOM 0 HD23 LEU A 11 -8.879 3.263 -0.623 1.00 0.11 H new ATOM 99 N ARG A 12 -9.120 8.266 1.479 1.00 0.12 N ATOM 100 CA ARG A 12 -8.606 9.580 1.826 1.00 0.13 C ATOM 101 C ARG A 12 -7.706 9.472 3.044 1.00 0.13 C ATOM 102 O ARG A 12 -6.781 10.266 3.227 1.00 0.24 O ATOM 103 CB ARG A 12 -9.763 10.556 2.079 1.00 0.17 C ATOM 104 CG ARG A 12 -11.125 10.052 1.600 1.00 0.42 C ATOM 105 CD ARG A 12 -11.136 9.729 0.107 1.00 0.27 C ATOM 106 NE ARG A 12 -10.933 10.920 -0.713 1.00 0.97 N ATOM 107 CZ ARG A 12 -11.133 10.953 -2.027 1.00 1.38 C ATOM 108 NH1 ARG A 12 -11.527 9.861 -2.669 1.00 1.25 N ATOM 109 NH2 ARG A 12 -10.937 12.077 -2.702 1.00 2.10 N ATOM 0 H ARG A 12 -10.124 8.159 1.621 1.00 0.12 H new ATOM 0 HA ARG A 12 -8.018 9.968 0.994 1.00 0.13 H new ATOM 0 HB2 ARG A 12 -9.821 10.764 3.147 1.00 0.17 H new ATOM 0 HB3 ARG A 12 -9.542 11.500 1.581 1.00 0.17 H new ATOM 0 HG2 ARG A 12 -11.398 9.160 2.164 1.00 0.42 H new ATOM 0 HG3 ARG A 12 -11.883 10.806 1.811 1.00 0.42 H new ATOM 0 HD2 ARG A 12 -10.355 9.001 -0.112 1.00 0.27 H new ATOM 0 HD3 ARG A 12 -12.087 9.265 -0.156 1.00 0.27 H new ATOM 0 HE ARG A 12 -10.620 11.774 -0.252 1.00 0.97 H new ATOM 0 HH11 ARG A 12 -11.677 8.993 -2.154 1.00 1.25 H new ATOM 0 HH12 ARG A 12 -11.680 9.889 -3.677 1.00 1.25 H new ATOM 0 HH21 ARG A 12 -10.632 12.919 -2.213 1.00 2.10 H new ATOM 0 HH22 ARG A 12 -11.091 12.100 -3.710 1.00 2.10 H new ATOM 123 N ALA A 13 -7.989 8.479 3.872 1.00 0.13 N ATOM 124 CA ALA A 13 -7.193 8.218 5.061 1.00 0.17 C ATOM 125 C ALA A 13 -5.914 7.517 4.664 1.00 0.16 C ATOM 126 O ALA A 13 -4.841 7.778 5.208 1.00 0.22 O ATOM 127 CB ALA A 13 -7.975 7.362 6.038 1.00 0.21 C ATOM 0 H ALA A 13 -8.770 7.836 3.741 1.00 0.13 H new ATOM 0 HA ALA A 13 -6.951 9.164 5.546 1.00 0.17 H new ATOM 0 HB1 ALA A 13 -7.368 7.174 6.924 1.00 0.21 H new ATOM 0 HB2 ALA A 13 -8.888 7.882 6.328 1.00 0.21 H new ATOM 0 HB3 ALA A 13 -8.232 6.414 5.566 1.00 0.21 H new ATOM 133 N ALA A 14 -6.050 6.635 3.689 1.00 0.13 N ATOM 134 CA ALA A 14 -4.935 5.864 3.183 1.00 0.12 C ATOM 135 C ALA A 14 -4.053 6.720 2.309 1.00 0.10 C ATOM 136 O ALA A 14 -2.831 6.630 2.358 1.00 0.10 O ATOM 137 CB ALA A 14 -5.461 4.690 2.386 1.00 0.13 C ATOM 0 H ALA A 14 -6.938 6.435 3.228 1.00 0.13 H new ATOM 0 HA ALA A 14 -4.342 5.503 4.024 1.00 0.12 H new ATOM 0 HB1 ALA A 14 -4.624 4.106 2.003 1.00 0.13 H new ATOM 0 HB2 ALA A 14 -6.078 4.061 3.028 1.00 0.13 H new ATOM 0 HB3 ALA A 14 -6.060 5.056 1.552 1.00 0.13 H new ATOM 143 N HIS A 15 -4.690 7.547 1.505 1.00 0.10 N ATOM 144 CA HIS A 15 -3.990 8.431 0.617 1.00 0.09 C ATOM 145 C HIS A 15 -2.898 9.147 1.384 1.00 0.09 C ATOM 146 O HIS A 15 -1.841 9.447 0.842 1.00 0.10 O ATOM 147 CB HIS A 15 -4.968 9.439 0.025 1.00 0.09 C ATOM 148 CG HIS A 15 -5.234 9.228 -1.425 1.00 0.09 C ATOM 149 ND1 HIS A 15 -4.237 9.215 -2.371 1.00 0.10 N ATOM 150 CD2 HIS A 15 -6.392 9.025 -2.096 1.00 0.08 C ATOM 151 CE1 HIS A 15 -4.767 9.019 -3.559 1.00 0.09 C ATOM 152 NE2 HIS A 15 -6.072 8.903 -3.425 1.00 0.08 N ATOM 0 H HIS A 15 -5.706 7.620 1.454 1.00 0.10 H new ATOM 0 HA HIS A 15 -3.540 7.860 -0.195 1.00 0.09 H new ATOM 0 HB2 HIS A 15 -5.910 9.383 0.571 1.00 0.09 H new ATOM 0 HB3 HIS A 15 -4.574 10.445 0.171 1.00 0.09 H new ATOM 0 HD2 HIS A 15 -7.381 8.970 -1.666 1.00 0.08 H new ATOM 0 HE1 HIS A 15 -4.222 8.963 -4.490 1.00 0.09 H new ATOM 0 HE2 HIS A 15 -6.736 8.748 -4.184 1.00 0.08 H new ATOM 161 N ALA A 16 -3.182 9.427 2.657 1.00 0.10 N ATOM 162 CA ALA A 16 -2.228 10.087 3.530 1.00 0.12 C ATOM 163 C ALA A 16 -1.291 9.072 4.160 1.00 0.12 C ATOM 164 O ALA A 16 -0.158 9.400 4.495 1.00 0.13 O ATOM 165 CB ALA A 16 -2.935 10.886 4.612 1.00 0.13 C ATOM 0 H ALA A 16 -4.072 9.203 3.102 1.00 0.10 H new ATOM 0 HA ALA A 16 -1.644 10.778 2.922 1.00 0.12 H new ATOM 0 HB1 ALA A 16 -2.195 11.369 5.250 1.00 0.13 H new ATOM 0 HB2 ALA A 16 -3.566 11.645 4.150 1.00 0.13 H new ATOM 0 HB3 ALA A 16 -3.552 10.218 5.213 1.00 0.13 H new ATOM 171 N ALA A 17 -1.780 7.846 4.357 1.00 0.12 N ATOM 172 CA ALA A 17 -0.958 6.793 4.933 1.00 0.12 C ATOM 173 C ALA A 17 0.119 6.367 3.947 1.00 0.11 C ATOM 174 O ALA A 17 1.307 6.460 4.241 1.00 0.11 O ATOM 175 CB ALA A 17 -1.800 5.606 5.333 1.00 0.13 C ATOM 0 H ALA A 17 -2.733 7.564 4.127 1.00 0.12 H new ATOM 0 HA ALA A 17 -0.480 7.187 5.830 1.00 0.12 H new ATOM 0 HB1 ALA A 17 -1.160 4.834 5.761 1.00 0.13 H new ATOM 0 HB2 ALA A 17 -2.538 5.916 6.072 1.00 0.13 H new ATOM 0 HB3 ALA A 17 -2.310 5.210 4.455 1.00 0.13 H new ATOM 181 N LEU A 18 -0.304 5.884 2.778 1.00 0.10 N ATOM 182 CA LEU A 18 0.635 5.480 1.740 1.00 0.09 C ATOM 183 C LEU A 18 1.500 6.671 1.372 1.00 0.09 C ATOM 184 O LEU A 18 2.626 6.518 0.903 1.00 0.10 O ATOM 185 CB LEU A 18 -0.104 4.955 0.500 1.00 0.09 C ATOM 186 CG LEU A 18 -1.007 3.736 0.678 1.00 0.09 C ATOM 187 CD1 LEU A 18 -0.631 2.947 1.914 1.00 0.10 C ATOM 188 CD2 LEU A 18 -2.454 4.186 0.703 1.00 0.10 C ATOM 0 H LEU A 18 -1.286 5.765 2.530 1.00 0.10 H new ATOM 0 HA LEU A 18 1.259 4.671 2.119 1.00 0.09 H new ATOM 0 HB2 LEU A 18 -0.711 5.768 0.102 1.00 0.09 H new ATOM 0 HB3 LEU A 18 0.641 4.713 -0.258 1.00 0.09 H new ATOM 0 HG LEU A 18 -0.871 3.060 -0.166 1.00 0.09 H new ATOM 0 HD11 LEU A 18 -1.293 2.086 2.012 1.00 0.10 H new ATOM 0 HD12 LEU A 18 0.400 2.604 1.827 1.00 0.10 H new ATOM 0 HD13 LEU A 18 -0.729 3.582 2.795 1.00 0.10 H new ATOM 0 HD21 LEU A 18 -3.102 3.319 0.830 1.00 0.10 H new ATOM 0 HD22 LEU A 18 -2.606 4.877 1.532 1.00 0.10 H new ATOM 0 HD23 LEU A 18 -2.696 4.686 -0.235 1.00 0.10 H new ATOM 200 N LEU A 19 0.946 7.862 1.573 1.00 0.09 N ATOM 201 CA LEU A 19 1.679 9.093 1.333 1.00 0.09 C ATOM 202 C LEU A 19 2.707 9.222 2.447 1.00 0.10 C ATOM 203 O LEU A 19 3.874 9.530 2.221 1.00 0.10 O ATOM 204 CB LEU A 19 0.706 10.284 1.320 1.00 0.10 C ATOM 205 CG LEU A 19 1.305 11.677 1.534 1.00 0.10 C ATOM 206 CD1 LEU A 19 1.447 11.967 3.017 1.00 0.11 C ATOM 207 CD2 LEU A 19 2.647 11.804 0.837 1.00 0.11 C ATOM 0 H LEU A 19 -0.010 7.998 1.902 1.00 0.09 H new ATOM 0 HA LEU A 19 2.181 9.080 0.366 1.00 0.09 H new ATOM 0 HB2 LEU A 19 0.184 10.284 0.363 1.00 0.10 H new ATOM 0 HB3 LEU A 19 -0.044 10.116 2.093 1.00 0.10 H new ATOM 0 HG LEU A 19 0.627 12.410 1.097 1.00 0.10 H new ATOM 0 HD11 LEU A 19 1.874 12.960 3.154 1.00 0.11 H new ATOM 0 HD12 LEU A 19 0.467 11.925 3.492 1.00 0.11 H new ATOM 0 HD13 LEU A 19 2.103 11.224 3.472 1.00 0.11 H new ATOM 0 HD21 LEU A 19 3.051 12.802 1.004 1.00 0.11 H new ATOM 0 HD22 LEU A 19 3.337 11.061 1.238 1.00 0.11 H new ATOM 0 HD23 LEU A 19 2.518 11.639 -0.233 1.00 0.11 H new ATOM 219 N GLU A 20 2.236 8.967 3.660 1.00 0.11 N ATOM 220 CA GLU A 20 3.075 8.994 4.846 1.00 0.13 C ATOM 221 C GLU A 20 4.186 7.971 4.677 1.00 0.14 C ATOM 222 O GLU A 20 5.284 8.120 5.214 1.00 0.16 O ATOM 223 CB GLU A 20 2.240 8.678 6.084 1.00 0.14 C ATOM 224 CG GLU A 20 3.025 8.711 7.381 1.00 0.18 C ATOM 225 CD GLU A 20 3.376 10.120 7.821 1.00 1.23 C ATOM 226 OE1 GLU A 20 2.448 10.939 7.982 1.00 1.64 O ATOM 227 OE2 GLU A 20 4.579 10.404 7.997 1.00 1.89 O ATOM 0 H GLU A 20 1.260 8.736 3.848 1.00 0.11 H new ATOM 0 HA GLU A 20 3.509 9.986 4.974 1.00 0.13 H new ATOM 0 HB2 GLU A 20 1.420 9.393 6.149 1.00 0.14 H new ATOM 0 HB3 GLU A 20 1.793 7.691 5.966 1.00 0.14 H new ATOM 0 HG2 GLU A 20 2.444 8.225 8.165 1.00 0.18 H new ATOM 0 HG3 GLU A 20 3.942 8.134 7.260 1.00 0.18 H new ATOM 234 N ASN A 21 3.870 6.921 3.927 1.00 0.13 N ATOM 235 CA ASN A 21 4.828 5.877 3.622 1.00 0.14 C ATOM 236 C ASN A 21 5.700 6.384 2.488 1.00 0.13 C ATOM 237 O ASN A 21 6.885 6.080 2.400 1.00 0.21 O ATOM 238 CB ASN A 21 4.109 4.586 3.199 1.00 0.15 C ATOM 239 CG ASN A 21 4.909 3.345 3.501 1.00 0.47 C ATOM 240 OD1 ASN A 21 4.445 2.582 4.480 1.00 1.21 O flip ATOM 241 ND2 ASN A 21 5.922 3.066 2.859 1.00 1.34 N flip ATOM 0 H ASN A 21 2.947 6.774 3.518 1.00 0.13 H new ATOM 0 HA ASN A 21 5.428 5.645 4.502 1.00 0.14 H new ATOM 0 HB2 ASN A 21 3.148 4.527 3.710 1.00 0.15 H new ATOM 0 HB3 ASN A 21 3.899 4.626 2.130 1.00 0.15 H new ATOM 0 HD21 ASN A 21 6.240 3.685 2.114 1.00 1.34 H new ATOM 0 HD22 ASN A 21 6.443 2.215 3.072 1.00 1.34 H new ATOM 248 N ALA A 22 5.068 7.170 1.620 1.00 0.11 N ATOM 249 CA ALA A 22 5.739 7.772 0.472 1.00 0.12 C ATOM 250 C ALA A 22 6.837 8.728 0.886 1.00 0.12 C ATOM 251 O ALA A 22 7.878 8.785 0.242 1.00 0.13 O ATOM 252 CB ALA A 22 4.735 8.481 -0.424 1.00 0.13 C ATOM 0 H ALA A 22 4.079 7.407 1.693 1.00 0.11 H new ATOM 0 HA ALA A 22 6.206 6.960 -0.086 1.00 0.12 H new ATOM 0 HB1 ALA A 22 5.255 8.923 -1.274 1.00 0.13 H new ATOM 0 HB2 ALA A 22 3.997 7.763 -0.783 1.00 0.13 H new ATOM 0 HB3 ALA A 22 4.233 9.265 0.142 1.00 0.13 H new ATOM 258 N ARG A 23 6.606 9.490 1.939 1.00 0.13 N ATOM 259 CA ARG A 23 7.609 10.423 2.415 1.00 0.15 C ATOM 260 C ARG A 23 8.712 9.659 3.123 1.00 0.16 C ATOM 261 O ARG A 23 9.894 9.954 2.962 1.00 0.18 O ATOM 262 CB ARG A 23 6.982 11.450 3.358 1.00 0.18 C ATOM 263 CG ARG A 23 6.190 10.832 4.498 1.00 0.20 C ATOM 264 CD ARG A 23 5.629 11.896 5.424 1.00 0.29 C ATOM 265 NE ARG A 23 4.841 12.891 4.699 1.00 1.07 N ATOM 266 CZ ARG A 23 4.472 14.060 5.215 1.00 1.28 C ATOM 267 NH1 ARG A 23 4.810 14.379 6.457 1.00 0.75 N ATOM 268 NH2 ARG A 23 3.762 14.910 4.486 1.00 2.26 N ATOM 0 H ARG A 23 5.740 9.482 2.477 1.00 0.13 H new ATOM 0 HA ARG A 23 8.031 10.958 1.564 1.00 0.15 H new ATOM 0 HB2 ARG A 23 7.771 12.077 3.774 1.00 0.18 H new ATOM 0 HB3 ARG A 23 6.325 12.103 2.784 1.00 0.18 H new ATOM 0 HG2 ARG A 23 5.374 10.233 4.093 1.00 0.20 H new ATOM 0 HG3 ARG A 23 6.831 10.156 5.064 1.00 0.20 H new ATOM 0 HD2 ARG A 23 5.006 11.424 6.184 1.00 0.29 H new ATOM 0 HD3 ARG A 23 6.448 12.392 5.945 1.00 0.29 H new ATOM 0 HE ARG A 23 4.558 12.677 3.743 1.00 1.07 H new ATOM 0 HH11 ARG A 23 5.355 13.727 7.021 1.00 0.75 H new ATOM 0 HH12 ARG A 23 4.525 15.277 6.849 1.00 0.75 H new ATOM 0 HH21 ARG A 23 3.499 14.667 3.531 1.00 2.26 H new ATOM 0 HH22 ARG A 23 3.478 15.807 4.880 1.00 2.26 H new ATOM 282 N PHE A 24 8.306 8.668 3.907 1.00 0.16 N ATOM 283 CA PHE A 24 9.247 7.831 4.630 1.00 0.19 C ATOM 284 C PHE A 24 10.065 6.988 3.661 1.00 0.19 C ATOM 285 O PHE A 24 11.195 6.612 3.965 1.00 0.26 O ATOM 286 CB PHE A 24 8.504 6.929 5.613 1.00 0.21 C ATOM 287 CG PHE A 24 8.634 7.357 7.046 1.00 0.28 C ATOM 288 CD1 PHE A 24 9.829 7.192 7.727 1.00 0.41 C ATOM 289 CD2 PHE A 24 7.559 7.922 7.710 1.00 0.29 C ATOM 290 CE1 PHE A 24 9.949 7.586 9.046 1.00 0.48 C ATOM 291 CE2 PHE A 24 7.672 8.318 9.029 1.00 0.37 C ATOM 292 CZ PHE A 24 8.869 8.149 9.698 1.00 0.44 C ATOM 0 H PHE A 24 7.327 8.426 4.057 1.00 0.16 H new ATOM 0 HA PHE A 24 9.926 8.476 5.187 1.00 0.19 H new ATOM 0 HB2 PHE A 24 7.448 6.907 5.345 1.00 0.21 H new ATOM 0 HB3 PHE A 24 8.880 5.911 5.512 1.00 0.21 H new ATOM 0 HD1 PHE A 24 10.676 6.751 7.222 1.00 0.41 H new ATOM 0 HD2 PHE A 24 6.621 8.055 7.191 1.00 0.29 H new ATOM 0 HE1 PHE A 24 10.886 7.454 9.567 1.00 0.48 H new ATOM 0 HE2 PHE A 24 6.826 8.759 9.536 1.00 0.37 H new ATOM 0 HZ PHE A 24 8.960 8.457 10.729 1.00 0.44 H new ATOM 302 N MET A 25 9.484 6.674 2.500 1.00 0.15 N ATOM 303 CA MET A 25 10.198 5.905 1.491 1.00 0.20 C ATOM 304 C MET A 25 11.017 6.862 0.649 1.00 0.13 C ATOM 305 O MET A 25 12.141 6.556 0.253 1.00 0.14 O ATOM 306 CB MET A 25 9.244 5.061 0.642 1.00 0.32 C ATOM 307 CG MET A 25 8.655 3.893 1.430 1.00 0.52 C ATOM 308 SD MET A 25 9.915 2.731 2.002 1.00 1.14 S ATOM 309 CE MET A 25 10.265 3.364 3.641 1.00 0.69 C ATOM 0 H MET A 25 8.533 6.939 2.242 1.00 0.15 H new ATOM 0 HA MET A 25 10.867 5.195 1.978 1.00 0.20 H new ATOM 0 HB2 MET A 25 8.436 5.691 0.270 1.00 0.32 H new ATOM 0 HB3 MET A 25 9.776 4.679 -0.229 1.00 0.32 H new ATOM 0 HG2 MET A 25 8.107 4.280 2.289 1.00 0.52 H new ATOM 0 HG3 MET A 25 7.936 3.364 0.804 1.00 0.52 H new ATOM 0 HE1 MET A 25 11.336 3.542 3.741 1.00 0.69 H new ATOM 0 HE2 MET A 25 9.726 4.299 3.793 1.00 0.69 H new ATOM 0 HE3 MET A 25 9.946 2.637 4.388 1.00 0.69 H new ATOM 319 N GLU A 26 10.435 8.023 0.371 1.00 0.12 N ATOM 320 CA GLU A 26 11.141 9.068 -0.340 1.00 0.13 C ATOM 321 C GLU A 26 12.372 9.428 0.476 1.00 0.15 C ATOM 322 O GLU A 26 13.388 9.882 -0.051 1.00 0.19 O ATOM 323 CB GLU A 26 10.240 10.297 -0.500 1.00 0.16 C ATOM 324 CG GLU A 26 9.447 10.320 -1.793 1.00 0.24 C ATOM 325 CD GLU A 26 10.332 10.321 -3.025 1.00 1.12 C ATOM 326 OE1 GLU A 26 10.808 9.235 -3.418 1.00 2.15 O ATOM 327 OE2 GLU A 26 10.547 11.410 -3.599 1.00 1.01 O ATOM 0 H GLU A 26 9.477 8.259 0.629 1.00 0.12 H new ATOM 0 HA GLU A 26 11.427 8.726 -1.335 1.00 0.13 H new ATOM 0 HB2 GLU A 26 9.546 10.337 0.340 1.00 0.16 H new ATOM 0 HB3 GLU A 26 10.856 11.195 -0.448 1.00 0.16 H new ATOM 0 HG2 GLU A 26 8.788 9.452 -1.825 1.00 0.24 H new ATOM 0 HG3 GLU A 26 8.810 11.205 -1.808 1.00 0.24 H new ATOM 334 N GLN A 27 12.246 9.210 1.786 1.00 0.15 N ATOM 335 CA GLN A 27 13.314 9.477 2.735 1.00 0.19 C ATOM 336 C GLN A 27 14.252 8.291 2.864 1.00 0.18 C ATOM 337 O GLN A 27 15.467 8.456 2.828 1.00 0.20 O ATOM 338 CB GLN A 27 12.734 9.817 4.098 1.00 0.26 C ATOM 339 CG GLN A 27 12.314 11.264 4.220 1.00 0.37 C ATOM 340 CD GLN A 27 13.455 12.232 3.971 1.00 1.59 C ATOM 341 OE1 GLN A 27 13.689 12.656 2.840 1.00 2.46 O ATOM 342 NE2 GLN A 27 14.174 12.586 5.030 1.00 2.25 N ATOM 0 H GLN A 27 11.396 8.842 2.214 1.00 0.15 H new ATOM 0 HA GLN A 27 13.885 10.326 2.358 1.00 0.19 H new ATOM 0 HB2 GLN A 27 11.872 9.178 4.289 1.00 0.26 H new ATOM 0 HB3 GLN A 27 13.474 9.594 4.867 1.00 0.26 H new ATOM 0 HG2 GLN A 27 11.512 11.465 3.510 1.00 0.37 H new ATOM 0 HG3 GLN A 27 11.908 11.437 5.217 1.00 0.37 H new ATOM 0 HE21 GLN A 27 13.945 12.210 5.950 1.00 2.25 H new ATOM 0 HE22 GLN A 27 14.955 13.234 4.923 1.00 2.25 H new ATOM 351 N PHE A 28 13.688 7.095 3.020 1.00 0.20 N ATOM 352 CA PHE A 28 14.499 5.900 3.154 1.00 0.23 C ATOM 353 C PHE A 28 15.446 5.809 1.975 1.00 0.19 C ATOM 354 O PHE A 28 16.603 5.424 2.115 1.00 0.25 O ATOM 355 CB PHE A 28 13.633 4.651 3.228 1.00 0.27 C ATOM 356 CG PHE A 28 14.427 3.396 3.269 1.00 0.30 C ATOM 357 CD1 PHE A 28 15.230 3.093 4.356 1.00 0.48 C ATOM 358 CD2 PHE A 28 14.373 2.526 2.214 1.00 0.25 C ATOM 359 CE1 PHE A 28 15.968 1.929 4.379 1.00 0.53 C ATOM 360 CE2 PHE A 28 15.106 1.362 2.224 1.00 0.28 C ATOM 361 CZ PHE A 28 15.908 1.060 3.309 1.00 0.40 C ATOM 0 H PHE A 28 12.681 6.934 3.056 1.00 0.20 H new ATOM 0 HA PHE A 28 15.067 5.964 4.082 1.00 0.23 H new ATOM 0 HB2 PHE A 28 13.003 4.705 4.116 1.00 0.27 H new ATOM 0 HB3 PHE A 28 12.967 4.625 2.365 1.00 0.27 H new ATOM 0 HD1 PHE A 28 15.278 3.774 5.193 1.00 0.48 H new ATOM 0 HD2 PHE A 28 13.748 2.756 1.364 1.00 0.25 H new ATOM 0 HE1 PHE A 28 16.590 1.698 5.231 1.00 0.53 H new ATOM 0 HE2 PHE A 28 15.055 0.684 1.385 1.00 0.28 H new ATOM 0 HZ PHE A 28 16.485 0.147 3.319 1.00 0.40 H new ATOM 371 N TYR A 29 14.929 6.168 0.808 1.00 0.14 N ATOM 372 CA TYR A 29 15.715 6.178 -0.411 1.00 0.15 C ATOM 373 C TYR A 29 16.678 7.353 -0.352 1.00 0.19 C ATOM 374 O TYR A 29 17.786 7.301 -0.885 1.00 0.26 O ATOM 375 CB TYR A 29 14.788 6.299 -1.623 1.00 0.16 C ATOM 376 CG TYR A 29 15.501 6.366 -2.957 1.00 0.23 C ATOM 377 CD1 TYR A 29 16.009 7.568 -3.433 1.00 0.29 C ATOM 378 CD2 TYR A 29 15.674 5.227 -3.734 1.00 0.27 C ATOM 379 CE1 TYR A 29 16.668 7.634 -4.646 1.00 0.37 C ATOM 380 CE2 TYR A 29 16.332 5.285 -4.947 1.00 0.34 C ATOM 381 CZ TYR A 29 16.795 6.490 -5.416 1.00 0.38 C ATOM 382 OH TYR A 29 17.483 6.551 -6.606 1.00 0.47 O ATOM 0 H TYR A 29 13.959 6.458 0.683 1.00 0.14 H new ATOM 0 HA TYR A 29 16.279 5.250 -0.507 1.00 0.15 H new ATOM 0 HB2 TYR A 29 14.109 5.446 -1.631 1.00 0.16 H new ATOM 0 HB3 TYR A 29 14.176 7.193 -1.508 1.00 0.16 H new ATOM 0 HD1 TYR A 29 15.887 8.466 -2.845 1.00 0.29 H new ATOM 0 HD2 TYR A 29 15.288 4.281 -3.384 1.00 0.27 H new ATOM 0 HE1 TYR A 29 17.081 8.571 -4.991 1.00 0.37 H new ATOM 0 HE2 TYR A 29 16.482 4.385 -5.525 1.00 0.34 H new ATOM 0 HH TYR A 29 17.485 5.667 -7.028 1.00 0.47 H new ATOM 392 N ALA A 30 16.230 8.417 0.310 1.00 0.18 N ATOM 393 CA ALA A 30 17.039 9.615 0.482 1.00 0.23 C ATOM 394 C ALA A 30 18.130 9.364 1.518 1.00 0.26 C ATOM 395 O ALA A 30 19.092 10.126 1.627 1.00 0.32 O ATOM 396 CB ALA A 30 16.156 10.780 0.905 1.00 0.24 C ATOM 0 H ALA A 30 15.305 8.471 0.737 1.00 0.18 H new ATOM 0 HA ALA A 30 17.514 9.866 -0.466 1.00 0.23 H new ATOM 0 HB1 ALA A 30 16.768 11.673 1.032 1.00 0.24 H new ATOM 0 HB2 ALA A 30 15.402 10.962 0.139 1.00 0.24 H new ATOM 0 HB3 ALA A 30 15.664 10.540 1.848 1.00 0.24 H new ATOM 402 N LYS A 31 17.963 8.284 2.274 1.00 0.25 N ATOM 403 CA LYS A 31 18.913 7.899 3.309 1.00 0.30 C ATOM 404 C LYS A 31 19.745 6.708 2.850 1.00 0.31 C ATOM 405 O LYS A 31 20.871 6.503 3.307 1.00 0.35 O ATOM 406 CB LYS A 31 18.167 7.529 4.596 1.00 0.31 C ATOM 407 CG LYS A 31 17.263 8.629 5.129 1.00 0.31 C ATOM 408 CD LYS A 31 16.026 8.052 5.804 1.00 0.33 C ATOM 409 CE LYS A 31 15.225 9.129 6.516 1.00 0.36 C ATOM 410 NZ LYS A 31 15.980 9.730 7.650 1.00 1.26 N ATOM 0 H LYS A 31 17.167 7.653 2.186 1.00 0.25 H new ATOM 0 HA LYS A 31 19.574 8.745 3.501 1.00 0.30 H new ATOM 0 HB2 LYS A 31 17.567 6.638 4.412 1.00 0.31 H new ATOM 0 HB3 LYS A 31 18.896 7.269 5.364 1.00 0.31 H new ATOM 0 HG2 LYS A 31 17.815 9.243 5.841 1.00 0.31 H new ATOM 0 HG3 LYS A 31 16.961 9.283 4.311 1.00 0.31 H new ATOM 0 HD2 LYS A 31 15.398 7.564 5.059 1.00 0.33 H new ATOM 0 HD3 LYS A 31 16.325 7.287 6.520 1.00 0.33 H new ATOM 0 HE2 LYS A 31 14.957 9.910 5.805 1.00 0.36 H new ATOM 0 HE3 LYS A 31 14.293 8.702 6.887 1.00 0.36 H new ATOM 0 HZ1 LYS A 31 15.322 10.236 8.276 1.00 1.26 H new ATOM 0 HZ2 LYS A 31 16.458 8.978 8.186 1.00 1.26 H new ATOM 0 HZ3 LYS A 31 16.688 10.396 7.281 1.00 1.26 H new ATOM 424 N LYS A 32 19.176 5.927 1.938 1.00 0.30 N ATOM 425 CA LYS A 32 19.829 4.736 1.416 1.00 0.32 C ATOM 426 C LYS A 32 20.083 4.843 -0.085 1.00 0.32 C ATOM 427 O LYS A 32 21.224 4.986 -0.526 1.00 0.38 O ATOM 428 CB LYS A 32 18.957 3.517 1.704 1.00 0.31 C ATOM 429 CG LYS A 32 19.237 2.879 3.050 1.00 0.37 C ATOM 430 CD LYS A 32 20.352 1.852 2.961 1.00 0.42 C ATOM 431 CE LYS A 32 20.687 1.277 4.326 1.00 0.54 C ATOM 432 NZ LYS A 32 21.123 2.333 5.281 1.00 1.40 N ATOM 0 H LYS A 32 18.252 6.102 1.542 1.00 0.30 H new ATOM 0 HA LYS A 32 20.795 4.634 1.910 1.00 0.32 H new ATOM 0 HB2 LYS A 32 17.908 3.812 1.661 1.00 0.31 H new ATOM 0 HB3 LYS A 32 19.112 2.776 0.920 1.00 0.31 H new ATOM 0 HG2 LYS A 32 19.509 3.651 3.770 1.00 0.37 H new ATOM 0 HG3 LYS A 32 18.331 2.402 3.423 1.00 0.37 H new ATOM 0 HD2 LYS A 32 20.054 1.047 2.289 1.00 0.42 H new ATOM 0 HD3 LYS A 32 21.241 2.314 2.531 1.00 0.42 H new ATOM 0 HE2 LYS A 32 19.814 0.762 4.727 1.00 0.54 H new ATOM 0 HE3 LYS A 32 21.476 0.532 4.223 1.00 0.54 H new ATOM 0 HZ1 LYS A 32 21.609 1.892 6.088 1.00 1.40 H new ATOM 0 HZ2 LYS A 32 21.773 2.988 4.801 1.00 1.40 H new ATOM 0 HZ3 LYS A 32 20.292 2.857 5.622 1.00 1.40 H new ATOM 446 N GLY A 33 19.007 4.771 -0.861 1.00 0.30 N ATOM 447 CA GLY A 33 19.119 4.843 -2.305 1.00 0.32 C ATOM 448 C GLY A 33 18.502 3.633 -2.977 1.00 0.30 C ATOM 449 O GLY A 33 18.594 3.470 -4.194 1.00 0.34 O ATOM 0 H GLY A 33 18.054 4.663 -0.513 1.00 0.30 H new ATOM 0 HA2 GLY A 33 18.628 5.748 -2.663 1.00 0.32 H new ATOM 0 HA3 GLY A 33 20.170 4.918 -2.585 1.00 0.32 H new ATOM 453 N SER A 34 17.874 2.782 -2.171 1.00 0.28 N ATOM 454 CA SER A 34 17.228 1.575 -2.671 1.00 0.28 C ATOM 455 C SER A 34 16.142 1.115 -1.704 1.00 0.30 C ATOM 456 O SER A 34 15.985 1.681 -0.623 1.00 0.45 O ATOM 457 CB SER A 34 18.258 0.461 -2.870 1.00 0.30 C ATOM 458 OG SER A 34 19.242 0.837 -3.817 1.00 1.19 O ATOM 0 H SER A 34 17.799 2.909 -1.162 1.00 0.28 H new ATOM 0 HA SER A 34 16.769 1.804 -3.633 1.00 0.28 H new ATOM 0 HB2 SER A 34 18.735 0.229 -1.918 1.00 0.30 H new ATOM 0 HB3 SER A 34 17.756 -0.447 -3.204 1.00 0.30 H new ATOM 0 HG SER A 34 19.042 1.733 -4.159 1.00 1.19 H new ATOM 464 N PHE A 35 15.397 0.087 -2.099 1.00 0.27 N ATOM 465 CA PHE A 35 14.325 -0.448 -1.267 1.00 0.30 C ATOM 466 C PHE A 35 14.549 -1.930 -0.987 1.00 0.30 C ATOM 467 O PHE A 35 14.626 -2.347 0.169 1.00 0.44 O ATOM 468 CB PHE A 35 12.974 -0.214 -1.943 1.00 0.39 C ATOM 469 CG PHE A 35 12.656 1.243 -2.123 1.00 0.51 C ATOM 470 CD1 PHE A 35 12.351 2.039 -1.033 1.00 0.83 C ATOM 471 CD2 PHE A 35 12.651 1.814 -3.387 1.00 0.74 C ATOM 472 CE1 PHE A 35 12.050 3.378 -1.196 1.00 1.07 C ATOM 473 CE2 PHE A 35 12.350 3.152 -3.556 1.00 0.98 C ATOM 474 CZ PHE A 35 12.086 3.944 -2.454 1.00 1.06 C ATOM 0 H PHE A 35 15.516 -0.393 -2.991 1.00 0.27 H new ATOM 0 HA PHE A 35 14.327 0.074 -0.310 1.00 0.30 H new ATOM 0 HB2 PHE A 35 12.970 -0.705 -2.916 1.00 0.39 H new ATOM 0 HB3 PHE A 35 12.190 -0.681 -1.348 1.00 0.39 H new ATOM 0 HD1 PHE A 35 12.348 1.609 -0.042 1.00 0.83 H new ATOM 0 HD2 PHE A 35 12.885 1.206 -4.249 1.00 0.74 H new ATOM 0 HE1 PHE A 35 11.787 3.981 -0.339 1.00 1.07 H new ATOM 0 HE2 PHE A 35 12.321 3.579 -4.548 1.00 0.98 H new ATOM 0 HZ PHE A 35 11.909 5.002 -2.577 1.00 1.06 H new ATOM 484 N LYS A 36 14.650 -2.726 -2.048 1.00 0.31 N ATOM 485 CA LYS A 36 14.895 -4.157 -1.906 1.00 0.31 C ATOM 486 C LYS A 36 16.344 -4.465 -2.263 1.00 0.26 C ATOM 487 O LYS A 36 16.963 -3.754 -3.054 1.00 0.34 O ATOM 488 CB LYS A 36 13.915 -4.952 -2.769 1.00 0.40 C ATOM 489 CG LYS A 36 14.392 -6.336 -3.178 1.00 0.78 C ATOM 490 CD LYS A 36 13.416 -6.976 -4.156 1.00 0.79 C ATOM 491 CE LYS A 36 14.049 -8.127 -4.921 1.00 0.70 C ATOM 492 NZ LYS A 36 13.292 -8.450 -6.162 1.00 0.88 N ATOM 0 H LYS A 36 14.566 -2.405 -3.013 1.00 0.31 H new ATOM 0 HA LYS A 36 14.731 -4.456 -0.871 1.00 0.31 H new ATOM 0 HB2 LYS A 36 12.976 -5.054 -2.225 1.00 0.40 H new ATOM 0 HB3 LYS A 36 13.700 -4.378 -3.670 1.00 0.40 H new ATOM 0 HG2 LYS A 36 15.379 -6.265 -3.636 1.00 0.78 H new ATOM 0 HG3 LYS A 36 14.495 -6.966 -2.295 1.00 0.78 H new ATOM 0 HD2 LYS A 36 12.543 -7.338 -3.613 1.00 0.79 H new ATOM 0 HD3 LYS A 36 13.063 -6.223 -4.861 1.00 0.79 H new ATOM 0 HE2 LYS A 36 15.077 -7.870 -5.179 1.00 0.70 H new ATOM 0 HE3 LYS A 36 14.091 -9.009 -4.281 1.00 0.70 H new ATOM 0 HZ1 LYS A 36 13.755 -9.240 -6.655 1.00 0.88 H new ATOM 0 HZ2 LYS A 36 12.318 -8.719 -5.915 1.00 0.88 H new ATOM 0 HZ3 LYS A 36 13.273 -7.617 -6.784 1.00 0.88 H new ATOM 506 N LEU A 37 16.883 -5.524 -1.675 1.00 0.29 N ATOM 507 CA LEU A 37 18.272 -5.890 -1.889 1.00 0.30 C ATOM 508 C LEU A 37 18.444 -7.307 -2.428 1.00 0.30 C ATOM 509 O LEU A 37 19.421 -7.592 -3.123 1.00 0.35 O ATOM 510 CB LEU A 37 19.031 -5.761 -0.569 1.00 0.32 C ATOM 511 CG LEU A 37 18.179 -5.875 0.707 1.00 0.40 C ATOM 512 CD1 LEU A 37 19.067 -6.159 1.908 1.00 1.34 C ATOM 513 CD2 LEU A 37 17.374 -4.599 0.935 1.00 1.36 C ATOM 0 H LEU A 37 16.376 -6.145 -1.045 1.00 0.29 H new ATOM 0 HA LEU A 37 18.670 -5.211 -2.643 1.00 0.30 H new ATOM 0 HB2 LEU A 37 19.802 -6.531 -0.538 1.00 0.32 H new ATOM 0 HB3 LEU A 37 19.541 -4.798 -0.558 1.00 0.32 H new ATOM 0 HG LEU A 37 17.481 -6.703 0.581 1.00 0.40 H new ATOM 0 HD11 LEU A 37 18.452 -6.237 2.805 1.00 1.34 H new ATOM 0 HD12 LEU A 37 19.602 -7.096 1.752 1.00 1.34 H new ATOM 0 HD13 LEU A 37 19.785 -5.348 2.030 1.00 1.34 H new ATOM 0 HD21 LEU A 37 16.779 -4.702 1.842 1.00 1.36 H new ATOM 0 HD22 LEU A 37 18.054 -3.754 1.041 1.00 1.36 H new ATOM 0 HD23 LEU A 37 16.713 -4.429 0.085 1.00 1.36 H new ATOM 525 N THR A 38 17.510 -8.196 -2.115 1.00 0.28 N ATOM 526 CA THR A 38 17.623 -9.581 -2.550 1.00 0.32 C ATOM 527 C THR A 38 16.264 -10.206 -2.821 1.00 0.31 C ATOM 528 O THR A 38 15.231 -9.566 -2.658 1.00 0.33 O ATOM 529 CB THR A 38 18.325 -10.409 -1.462 1.00 0.36 C ATOM 530 OG1 THR A 38 18.507 -11.760 -1.903 1.00 0.49 O ATOM 531 CG2 THR A 38 17.497 -10.387 -0.185 1.00 0.42 C ATOM 0 H THR A 38 16.675 -7.986 -1.568 1.00 0.28 H new ATOM 0 HA THR A 38 18.198 -9.582 -3.476 1.00 0.32 H new ATOM 0 HB THR A 38 19.304 -9.972 -1.264 1.00 0.36 H new ATOM 0 HG1 THR A 38 18.957 -12.275 -1.201 1.00 0.49 H new ATOM 0 HG21 THR A 38 17.998 -10.975 0.584 1.00 0.42 H new ATOM 0 HG22 THR A 38 17.386 -9.359 0.159 1.00 0.42 H new ATOM 0 HG23 THR A 38 16.513 -10.811 -0.382 1.00 0.42 H new ATOM 539 N SER A 39 16.275 -11.456 -3.264 1.00 0.46 N ATOM 540 CA SER A 39 15.043 -12.177 -3.525 1.00 0.47 C ATOM 541 C SER A 39 14.527 -12.802 -2.239 1.00 0.43 C ATOM 542 O SER A 39 15.282 -13.427 -1.498 1.00 0.50 O ATOM 543 CB SER A 39 15.252 -13.252 -4.593 1.00 0.58 C ATOM 544 OG SER A 39 16.209 -14.210 -4.173 1.00 1.34 O ATOM 0 H SER A 39 17.125 -11.989 -3.449 1.00 0.46 H new ATOM 0 HA SER A 39 14.303 -11.470 -3.900 1.00 0.47 H new ATOM 0 HB2 SER A 39 14.305 -13.748 -4.804 1.00 0.58 H new ATOM 0 HB3 SER A 39 15.582 -12.787 -5.522 1.00 0.58 H new ATOM 0 HG SER A 39 16.323 -14.887 -4.872 1.00 1.34 H new ATOM 550 N THR A 40 13.242 -12.601 -1.985 1.00 0.38 N ATOM 551 CA THR A 40 12.570 -13.134 -0.799 1.00 0.36 C ATOM 552 C THR A 40 13.017 -12.407 0.466 1.00 0.33 C ATOM 553 O THR A 40 13.397 -13.022 1.462 1.00 0.35 O ATOM 554 CB THR A 40 12.765 -14.658 -0.630 1.00 0.43 C ATOM 555 OG1 THR A 40 14.077 -14.954 -0.136 1.00 0.47 O ATOM 556 CG2 THR A 40 12.540 -15.373 -1.950 1.00 0.46 C ATOM 0 H THR A 40 12.629 -12.061 -2.596 1.00 0.38 H new ATOM 0 HA THR A 40 11.506 -12.958 -0.954 1.00 0.36 H new ATOM 0 HB THR A 40 12.032 -15.011 0.095 1.00 0.43 H new ATOM 0 HG1 THR A 40 14.701 -14.257 -0.428 1.00 0.47 H new ATOM 0 HG21 THR A 40 12.682 -16.445 -1.812 1.00 0.46 H new ATOM 0 HG22 THR A 40 11.525 -15.183 -2.298 1.00 0.46 H new ATOM 0 HG23 THR A 40 13.252 -15.005 -2.689 1.00 0.46 H new ATOM 564 N LYS A 41 12.957 -11.081 0.402 1.00 0.30 N ATOM 565 CA LYS A 41 13.318 -10.219 1.512 1.00 0.27 C ATOM 566 C LYS A 41 12.198 -9.211 1.745 1.00 0.24 C ATOM 567 O LYS A 41 11.444 -8.904 0.820 1.00 0.24 O ATOM 568 CB LYS A 41 14.610 -9.511 1.186 1.00 0.30 C ATOM 569 CG LYS A 41 14.460 -8.571 0.022 1.00 0.99 C ATOM 570 CD LYS A 41 15.206 -7.281 0.231 1.00 0.96 C ATOM 571 CE LYS A 41 14.823 -6.599 1.525 1.00 0.39 C ATOM 572 NZ LYS A 41 15.733 -6.964 2.646 1.00 1.13 N ATOM 0 H LYS A 41 12.654 -10.575 -0.430 1.00 0.30 H new ATOM 0 HA LYS A 41 13.457 -10.807 2.419 1.00 0.27 H new ATOM 0 HB2 LYS A 41 14.949 -8.954 2.060 1.00 0.30 H new ATOM 0 HB3 LYS A 41 15.380 -10.248 0.959 1.00 0.30 H new ATOM 0 HG2 LYS A 41 14.824 -9.056 -0.884 1.00 0.99 H new ATOM 0 HG3 LYS A 41 13.403 -8.356 -0.135 1.00 0.99 H new ATOM 0 HD2 LYS A 41 16.278 -7.480 0.231 1.00 0.96 H new ATOM 0 HD3 LYS A 41 15.006 -6.609 -0.604 1.00 0.96 H new ATOM 0 HE2 LYS A 41 14.840 -5.518 1.383 1.00 0.39 H new ATOM 0 HE3 LYS A 41 13.800 -6.870 1.787 1.00 0.39 H new ATOM 0 HZ1 LYS A 41 15.201 -7.491 3.368 1.00 1.13 H new ATOM 0 HZ2 LYS A 41 16.508 -7.557 2.285 1.00 1.13 H new ATOM 0 HZ3 LYS A 41 16.127 -6.099 3.069 1.00 1.13 H new ATOM 586 N TRP A 42 12.078 -8.690 2.959 1.00 0.21 N ATOM 587 CA TRP A 42 10.996 -7.756 3.245 1.00 0.18 C ATOM 588 C TRP A 42 11.430 -6.485 3.973 1.00 0.17 C ATOM 589 O TRP A 42 11.605 -6.492 5.192 1.00 0.20 O ATOM 590 CB TRP A 42 9.917 -8.445 4.076 1.00 0.20 C ATOM 591 CG TRP A 42 8.770 -8.969 3.270 1.00 0.19 C ATOM 592 CD1 TRP A 42 8.457 -8.650 1.980 1.00 0.18 C ATOM 593 CD2 TRP A 42 7.769 -9.894 3.706 1.00 0.21 C ATOM 594 NE1 TRP A 42 7.330 -9.316 1.590 1.00 0.20 N ATOM 595 CE2 TRP A 42 6.888 -10.086 2.627 1.00 0.21 C ATOM 596 CE3 TRP A 42 7.530 -10.582 4.899 1.00 0.25 C ATOM 597 CZ2 TRP A 42 5.791 -10.927 2.701 1.00 0.24 C ATOM 598 CZ3 TRP A 42 6.435 -11.424 4.973 1.00 0.27 C ATOM 599 CH2 TRP A 42 5.576 -11.589 3.879 1.00 0.27 C ATOM 0 H TRP A 42 12.698 -8.891 3.743 1.00 0.21 H new ATOM 0 HA TRP A 42 10.618 -7.448 2.270 1.00 0.18 H new ATOM 0 HB2 TRP A 42 10.368 -9.271 4.626 1.00 0.20 H new ATOM 0 HB3 TRP A 42 9.536 -7.740 4.815 1.00 0.20 H new ATOM 0 HD1 TRP A 42 9.019 -7.969 1.358 1.00 0.18 H new ATOM 0 HE1 TRP A 42 6.890 -9.249 0.672 1.00 0.20 H new ATOM 0 HE3 TRP A 42 8.188 -10.459 5.747 1.00 0.25 H new ATOM 0 HZ2 TRP A 42 5.128 -11.056 1.858 1.00 0.24 H new ATOM 0 HZ3 TRP A 42 6.239 -11.963 5.888 1.00 0.27 H new ATOM 0 HH2 TRP A 42 4.728 -12.252 3.967 1.00 0.27 H new ATOM 610 N PRO A 43 11.612 -5.373 3.235 1.00 0.16 N ATOM 611 CA PRO A 43 11.938 -4.084 3.847 1.00 0.16 C ATOM 612 C PRO A 43 10.761 -3.626 4.708 1.00 0.16 C ATOM 613 O PRO A 43 9.631 -3.559 4.224 1.00 0.22 O ATOM 614 CB PRO A 43 12.134 -3.144 2.644 1.00 0.16 C ATOM 615 CG PRO A 43 11.454 -3.820 1.501 1.00 0.16 C ATOM 616 CD PRO A 43 11.546 -5.294 1.767 1.00 0.15 C ATOM 0 HA PRO A 43 12.816 -4.114 4.493 1.00 0.16 H new ATOM 0 HB2 PRO A 43 11.699 -2.163 2.836 1.00 0.16 H new ATOM 0 HB3 PRO A 43 13.192 -2.988 2.435 1.00 0.16 H new ATOM 0 HG2 PRO A 43 10.414 -3.503 1.425 1.00 0.16 H new ATOM 0 HG3 PRO A 43 11.935 -3.565 0.557 1.00 0.16 H new ATOM 0 HD2 PRO A 43 10.680 -5.828 1.375 1.00 0.15 H new ATOM 0 HD3 PRO A 43 12.429 -5.732 1.301 1.00 0.15 H new ATOM 624 N GLU A 44 11.009 -3.312 5.978 1.00 0.22 N ATOM 625 CA GLU A 44 9.928 -2.915 6.870 1.00 0.24 C ATOM 626 C GLU A 44 9.268 -1.609 6.458 1.00 0.23 C ATOM 627 O GLU A 44 9.930 -0.643 6.074 1.00 0.25 O ATOM 628 CB GLU A 44 10.399 -2.815 8.309 1.00 0.32 C ATOM 629 CG GLU A 44 9.256 -2.543 9.257 1.00 0.41 C ATOM 630 CD GLU A 44 9.356 -1.185 9.924 1.00 0.89 C ATOM 631 OE1 GLU A 44 9.224 -0.166 9.215 1.00 1.31 O ATOM 632 OE2 GLU A 44 9.560 -1.141 11.155 1.00 1.31 O ATOM 0 H GLU A 44 11.935 -3.325 6.405 1.00 0.22 H new ATOM 0 HA GLU A 44 9.180 -3.704 6.791 1.00 0.24 H new ATOM 0 HB2 GLU A 44 10.894 -3.743 8.594 1.00 0.32 H new ATOM 0 HB3 GLU A 44 11.139 -2.019 8.394 1.00 0.32 H new ATOM 0 HG2 GLU A 44 8.315 -2.606 8.711 1.00 0.41 H new ATOM 0 HG3 GLU A 44 9.233 -3.318 10.023 1.00 0.41 H new ATOM 639 N LEU A 45 7.943 -1.608 6.549 1.00 0.22 N ATOM 640 CA LEU A 45 7.126 -0.458 6.198 1.00 0.23 C ATOM 641 C LEU A 45 6.835 0.440 7.407 1.00 0.19 C ATOM 642 O LEU A 45 6.708 -0.044 8.533 1.00 0.20 O ATOM 643 CB LEU A 45 5.808 -0.950 5.621 1.00 0.32 C ATOM 644 CG LEU A 45 4.910 -1.686 6.616 1.00 0.38 C ATOM 645 CD1 LEU A 45 3.483 -1.228 6.469 1.00 1.16 C ATOM 646 CD2 LEU A 45 5.045 -3.192 6.473 1.00 1.17 C ATOM 0 H LEU A 45 7.404 -2.412 6.871 1.00 0.22 H new ATOM 0 HA LEU A 45 7.680 0.135 5.470 1.00 0.23 H new ATOM 0 HB2 LEU A 45 5.261 -0.096 5.221 1.00 0.32 H new ATOM 0 HB3 LEU A 45 6.019 -1.614 4.783 1.00 0.32 H new ATOM 0 HG LEU A 45 5.236 -1.439 7.626 1.00 0.38 H new ATOM 0 HD11 LEU A 45 2.855 -1.760 7.183 1.00 1.16 H new ATOM 0 HD12 LEU A 45 3.423 -0.157 6.661 1.00 1.16 H new ATOM 0 HD13 LEU A 45 3.137 -1.435 5.456 1.00 1.16 H new ATOM 0 HD21 LEU A 45 4.394 -3.686 7.194 1.00 1.17 H new ATOM 0 HD22 LEU A 45 4.759 -3.489 5.464 1.00 1.17 H new ATOM 0 HD23 LEU A 45 6.079 -3.484 6.658 1.00 1.17 H new ATOM 658 N PRO A 46 6.723 1.763 7.181 1.00 0.20 N ATOM 659 CA PRO A 46 6.409 2.728 8.240 1.00 0.19 C ATOM 660 C PRO A 46 4.928 2.727 8.642 1.00 0.16 C ATOM 661 O PRO A 46 4.590 2.308 9.748 1.00 0.19 O ATOM 662 CB PRO A 46 6.803 4.072 7.626 1.00 0.24 C ATOM 663 CG PRO A 46 6.672 3.876 6.155 1.00 0.27 C ATOM 664 CD PRO A 46 6.951 2.422 5.885 1.00 0.26 C ATOM 0 HA PRO A 46 6.938 2.492 9.163 1.00 0.19 H new ATOM 0 HB2 PRO A 46 6.152 4.873 7.977 1.00 0.24 H new ATOM 0 HB3 PRO A 46 7.822 4.347 7.899 1.00 0.24 H new ATOM 0 HG2 PRO A 46 5.672 4.147 5.816 1.00 0.27 H new ATOM 0 HG3 PRO A 46 7.375 4.511 5.616 1.00 0.27 H new ATOM 0 HD2 PRO A 46 6.289 2.026 5.115 1.00 0.26 H new ATOM 0 HD3 PRO A 46 7.972 2.271 5.536 1.00 0.26 H new ATOM 672 N VAL A 47 4.046 3.197 7.752 1.00 0.14 N ATOM 673 CA VAL A 47 2.609 3.242 8.057 1.00 0.14 C ATOM 674 C VAL A 47 1.963 1.879 7.839 1.00 0.15 C ATOM 675 O VAL A 47 2.142 1.258 6.797 1.00 0.14 O ATOM 676 CB VAL A 47 1.839 4.295 7.217 1.00 0.13 C ATOM 677 CG1 VAL A 47 1.610 3.811 5.797 1.00 0.12 C ATOM 678 CG2 VAL A 47 0.515 4.636 7.882 1.00 0.14 C ATOM 0 H VAL A 47 4.296 3.547 6.827 1.00 0.14 H new ATOM 0 HA VAL A 47 2.541 3.532 9.106 1.00 0.14 H new ATOM 0 HB VAL A 47 2.451 5.196 7.167 1.00 0.13 H new ATOM 0 HG11 VAL A 47 1.068 4.572 5.236 1.00 0.12 H new ATOM 0 HG12 VAL A 47 2.571 3.622 5.318 1.00 0.12 H new ATOM 0 HG13 VAL A 47 1.027 2.890 5.816 1.00 0.12 H new ATOM 0 HG21 VAL A 47 -0.014 5.376 7.281 1.00 0.14 H new ATOM 0 HG22 VAL A 47 -0.093 3.735 7.966 1.00 0.14 H new ATOM 0 HG23 VAL A 47 0.701 5.042 8.876 1.00 0.14 H new ATOM 688 N LYS A 48 1.194 1.433 8.821 1.00 0.19 N ATOM 689 CA LYS A 48 0.527 0.142 8.741 1.00 0.22 C ATOM 690 C LYS A 48 -0.975 0.309 8.894 1.00 0.27 C ATOM 691 O LYS A 48 -1.723 -0.670 8.890 1.00 0.32 O ATOM 692 CB LYS A 48 1.046 -0.801 9.826 1.00 0.25 C ATOM 693 CG LYS A 48 2.552 -0.743 10.021 1.00 0.23 C ATOM 694 CD LYS A 48 2.915 -0.151 11.374 1.00 0.24 C ATOM 695 CE LYS A 48 2.356 1.255 11.533 1.00 0.26 C ATOM 696 NZ LYS A 48 2.799 1.893 12.804 1.00 0.33 N ATOM 0 H LYS A 48 1.016 1.947 9.684 1.00 0.19 H new ATOM 0 HA LYS A 48 0.743 -0.287 7.763 1.00 0.22 H new ATOM 0 HB2 LYS A 48 0.557 -0.558 10.770 1.00 0.25 H new ATOM 0 HB3 LYS A 48 0.761 -1.822 9.573 1.00 0.25 H new ATOM 0 HG2 LYS A 48 2.970 -1.746 9.937 1.00 0.23 H new ATOM 0 HG3 LYS A 48 3.000 -0.144 9.228 1.00 0.23 H new ATOM 0 HD2 LYS A 48 2.528 -0.790 12.168 1.00 0.24 H new ATOM 0 HD3 LYS A 48 3.999 -0.128 11.483 1.00 0.24 H new ATOM 0 HE2 LYS A 48 2.674 1.869 10.690 1.00 0.26 H new ATOM 0 HE3 LYS A 48 1.267 1.217 11.507 1.00 0.26 H new ATOM 0 HZ1 LYS A 48 2.395 2.849 12.872 1.00 0.33 H new ATOM 0 HZ2 LYS A 48 2.474 1.322 13.611 1.00 0.33 H new ATOM 0 HZ3 LYS A 48 3.837 1.954 12.819 1.00 0.33 H new ATOM 710 N GLU A 49 -1.410 1.554 9.046 1.00 0.27 N ATOM 711 CA GLU A 49 -2.826 1.846 9.211 1.00 0.34 C ATOM 712 C GLU A 49 -3.118 3.337 9.056 1.00 0.34 C ATOM 713 O GLU A 49 -2.480 4.181 9.684 1.00 0.39 O ATOM 714 CB GLU A 49 -3.297 1.407 10.584 1.00 0.41 C ATOM 715 CG GLU A 49 -4.801 1.507 10.773 1.00 0.61 C ATOM 716 CD GLU A 49 -5.251 1.015 12.135 1.00 0.74 C ATOM 717 OE1 GLU A 49 -5.309 1.836 13.073 1.00 0.83 O ATOM 718 OE2 GLU A 49 -5.546 -0.192 12.262 1.00 0.87 O ATOM 0 H GLU A 49 -0.804 2.374 9.058 1.00 0.27 H new ATOM 0 HA GLU A 49 -3.357 1.298 8.433 1.00 0.34 H new ATOM 0 HB2 GLU A 49 -2.986 0.376 10.753 1.00 0.41 H new ATOM 0 HB3 GLU A 49 -2.803 2.017 11.340 1.00 0.41 H new ATOM 0 HG2 GLU A 49 -5.112 2.544 10.644 1.00 0.61 H new ATOM 0 HG3 GLU A 49 -5.300 0.926 9.998 1.00 0.61 H new ATOM 725 N ALA A 50 -4.085 3.635 8.214 1.00 0.36 N ATOM 726 CA ALA A 50 -4.536 4.998 7.982 1.00 0.36 C ATOM 727 C ALA A 50 -5.688 5.317 8.923 1.00 0.50 C ATOM 728 O ALA A 50 -5.968 4.559 9.852 1.00 1.30 O ATOM 729 CB ALA A 50 -4.981 5.178 6.537 1.00 0.29 C ATOM 0 H ALA A 50 -4.586 2.936 7.666 1.00 0.36 H new ATOM 0 HA ALA A 50 -3.708 5.680 8.173 1.00 0.36 H new ATOM 0 HB1 ALA A 50 -5.315 6.204 6.384 1.00 0.29 H new ATOM 0 HB2 ALA A 50 -4.146 4.965 5.870 1.00 0.29 H new ATOM 0 HB3 ALA A 50 -5.802 4.494 6.321 1.00 0.29 H new ATOM 735 N GLY A 51 -6.353 6.433 8.681 1.00 0.37 N ATOM 736 CA GLY A 51 -7.473 6.816 9.516 1.00 0.35 C ATOM 737 C GLY A 51 -8.691 5.929 9.305 1.00 0.33 C ATOM 738 O GLY A 51 -9.611 5.921 10.126 1.00 0.50 O ATOM 0 H GLY A 51 -6.139 7.081 7.923 1.00 0.37 H new ATOM 0 HA2 GLY A 51 -7.173 6.771 10.563 1.00 0.35 H new ATOM 0 HA3 GLY A 51 -7.741 7.851 9.305 1.00 0.35 H new ATOM 742 N GLY A 52 -8.694 5.177 8.207 1.00 0.19 N ATOM 743 CA GLY A 52 -9.807 4.290 7.906 1.00 0.18 C ATOM 744 C GLY A 52 -9.379 3.115 7.054 1.00 0.14 C ATOM 745 O GLY A 52 -10.192 2.271 6.687 1.00 0.16 O ATOM 0 H GLY A 52 -7.943 5.166 7.517 1.00 0.19 H new ATOM 0 HA2 GLY A 52 -10.241 3.924 8.836 1.00 0.18 H new ATOM 0 HA3 GLY A 52 -10.587 4.849 7.388 1.00 0.18 H new ATOM 749 N PHE A 53 -8.097 3.091 6.721 1.00 0.11 N ATOM 750 CA PHE A 53 -7.503 2.020 5.929 1.00 0.09 C ATOM 751 C PHE A 53 -6.330 1.433 6.696 1.00 0.11 C ATOM 752 O PHE A 53 -5.904 1.996 7.698 1.00 0.13 O ATOM 753 CB PHE A 53 -7.021 2.523 4.564 1.00 0.09 C ATOM 754 CG PHE A 53 -8.028 2.377 3.452 1.00 0.08 C ATOM 755 CD1 PHE A 53 -9.322 2.852 3.589 1.00 0.09 C ATOM 756 CD2 PHE A 53 -7.671 1.764 2.264 1.00 0.09 C ATOM 757 CE1 PHE A 53 -10.237 2.716 2.565 1.00 0.10 C ATOM 758 CE2 PHE A 53 -8.583 1.625 1.237 1.00 0.10 C ATOM 759 CZ PHE A 53 -9.868 2.101 1.388 1.00 0.10 C ATOM 0 H PHE A 53 -7.434 3.817 6.993 1.00 0.11 H new ATOM 0 HA PHE A 53 -8.265 1.261 5.753 1.00 0.09 H new ATOM 0 HB2 PHE A 53 -6.748 3.574 4.654 1.00 0.09 H new ATOM 0 HB3 PHE A 53 -6.116 1.981 4.290 1.00 0.09 H new ATOM 0 HD1 PHE A 53 -9.618 3.335 4.509 1.00 0.09 H new ATOM 0 HD2 PHE A 53 -6.666 1.389 2.139 1.00 0.09 H new ATOM 0 HE1 PHE A 53 -11.242 3.092 2.686 1.00 0.10 H new ATOM 0 HE2 PHE A 53 -8.290 1.144 0.316 1.00 0.10 H new ATOM 0 HZ PHE A 53 -10.583 1.992 0.586 1.00 0.10 H new ATOM 769 N CYS A 54 -5.854 0.276 6.272 1.00 0.13 N ATOM 770 CA CYS A 54 -4.709 -0.346 6.918 1.00 0.16 C ATOM 771 C CYS A 54 -3.637 -0.613 5.880 1.00 0.14 C ATOM 772 O CYS A 54 -3.924 -1.086 4.788 1.00 0.14 O ATOM 773 CB CYS A 54 -5.113 -1.625 7.622 1.00 0.24 C ATOM 774 SG CYS A 54 -4.887 -1.609 9.426 1.00 1.41 S ATOM 0 H CYS A 54 -6.239 -0.251 5.488 1.00 0.13 H new ATOM 0 HA CYS A 54 -4.313 0.330 7.676 1.00 0.16 H new ATOM 0 HB2 CYS A 54 -6.162 -1.827 7.403 1.00 0.24 H new ATOM 0 HB3 CYS A 54 -4.535 -2.450 7.205 1.00 0.24 H new ATOM 779 N ILE A 55 -2.399 -0.353 6.246 1.00 0.14 N ATOM 780 CA ILE A 55 -1.296 -0.469 5.310 1.00 0.13 C ATOM 781 C ILE A 55 -0.285 -1.551 5.665 1.00 0.13 C ATOM 782 O ILE A 55 -0.121 -1.930 6.823 1.00 0.15 O ATOM 783 CB ILE A 55 -0.575 0.886 5.201 1.00 0.12 C ATOM 784 CG1 ILE A 55 -1.578 1.980 4.833 1.00 0.11 C ATOM 785 CG2 ILE A 55 0.556 0.826 4.186 1.00 0.11 C ATOM 786 CD1 ILE A 55 -2.408 2.475 5.994 1.00 0.11 C ATOM 0 H ILE A 55 -2.129 -0.060 7.185 1.00 0.14 H new ATOM 0 HA ILE A 55 -1.736 -0.764 4.357 1.00 0.13 H new ATOM 0 HB ILE A 55 -0.134 1.123 6.170 1.00 0.12 H new ATOM 0 HG12 ILE A 55 -1.038 2.823 4.402 1.00 0.11 H new ATOM 0 HG13 ILE A 55 -2.246 1.600 4.060 1.00 0.11 H new ATOM 0 HG21 ILE A 55 1.047 1.798 4.131 1.00 0.11 H new ATOM 0 HG22 ILE A 55 1.280 0.071 4.492 1.00 0.11 H new ATOM 0 HG23 ILE A 55 0.153 0.567 3.207 1.00 0.11 H new ATOM 0 HD11 ILE A 55 -3.093 3.249 5.648 1.00 0.11 H new ATOM 0 HD12 ILE A 55 -2.979 1.646 6.413 1.00 0.11 H new ATOM 0 HD13 ILE A 55 -1.752 2.888 6.760 1.00 0.11 H new ATOM 798 N ARG A 56 0.366 -2.052 4.622 1.00 0.13 N ATOM 799 CA ARG A 56 1.404 -3.070 4.746 1.00 0.14 C ATOM 800 C ARG A 56 2.332 -3.006 3.538 1.00 0.15 C ATOM 801 O ARG A 56 1.919 -2.603 2.450 1.00 0.29 O ATOM 802 CB ARG A 56 0.790 -4.468 4.857 1.00 0.14 C ATOM 803 CG ARG A 56 0.401 -4.863 6.270 1.00 0.23 C ATOM 804 CD ARG A 56 1.592 -4.836 7.215 1.00 0.29 C ATOM 805 NE ARG A 56 1.256 -5.374 8.531 1.00 0.43 N ATOM 806 CZ ARG A 56 2.158 -5.664 9.465 1.00 0.57 C ATOM 807 NH1 ARG A 56 3.449 -5.469 9.230 1.00 0.71 N ATOM 808 NH2 ARG A 56 1.768 -6.151 10.635 1.00 0.69 N ATOM 0 H ARG A 56 0.188 -1.762 3.660 1.00 0.13 H new ATOM 0 HA ARG A 56 1.973 -2.874 5.655 1.00 0.14 H new ATOM 0 HB2 ARG A 56 -0.094 -4.517 4.221 1.00 0.14 H new ATOM 0 HB3 ARG A 56 1.501 -5.197 4.470 1.00 0.14 H new ATOM 0 HG2 ARG A 56 -0.369 -4.185 6.637 1.00 0.23 H new ATOM 0 HG3 ARG A 56 -0.033 -5.863 6.261 1.00 0.23 H new ATOM 0 HD2 ARG A 56 2.410 -5.414 6.785 1.00 0.29 H new ATOM 0 HD3 ARG A 56 1.947 -3.811 7.322 1.00 0.29 H new ATOM 0 HE ARG A 56 0.272 -5.537 8.746 1.00 0.43 H new ATOM 0 HH11 ARG A 56 3.753 -5.096 8.331 1.00 0.71 H new ATOM 0 HH12 ARG A 56 4.138 -5.692 9.949 1.00 0.71 H new ATOM 0 HH21 ARG A 56 0.776 -6.303 10.819 1.00 0.69 H new ATOM 0 HH22 ARG A 56 2.460 -6.373 11.351 1.00 0.69 H new ATOM 822 N MET A 57 3.585 -3.401 3.732 1.00 0.14 N ATOM 823 CA MET A 57 4.566 -3.385 2.654 1.00 0.14 C ATOM 824 C MET A 57 4.104 -4.263 1.495 1.00 0.13 C ATOM 825 O MET A 57 3.293 -5.167 1.688 1.00 0.15 O ATOM 826 CB MET A 57 5.929 -3.852 3.151 1.00 0.17 C ATOM 827 CG MET A 57 7.070 -3.437 2.244 1.00 0.18 C ATOM 828 SD MET A 57 8.198 -4.794 1.897 1.00 0.18 S ATOM 829 CE MET A 57 7.067 -5.961 1.150 1.00 0.15 C ATOM 0 H MET A 57 3.945 -3.736 4.625 1.00 0.14 H new ATOM 0 HA MET A 57 4.660 -2.358 2.302 1.00 0.14 H new ATOM 0 HB2 MET A 57 6.102 -3.449 4.149 1.00 0.17 H new ATOM 0 HB3 MET A 57 5.923 -4.938 3.242 1.00 0.17 H new ATOM 0 HG2 MET A 57 6.665 -3.056 1.306 1.00 0.18 H new ATOM 0 HG3 MET A 57 7.621 -2.620 2.709 1.00 0.18 H new ATOM 0 HE1 MET A 57 7.626 -6.812 0.762 1.00 0.15 H new ATOM 0 HE2 MET A 57 6.354 -6.306 1.898 1.00 0.15 H new ATOM 0 HE3 MET A 57 6.531 -5.477 0.334 1.00 0.15 H new ATOM 839 N SER A 58 4.594 -3.960 0.290 1.00 0.13 N ATOM 840 CA SER A 58 4.233 -4.708 -0.920 1.00 0.15 C ATOM 841 C SER A 58 4.146 -6.225 -0.671 1.00 0.16 C ATOM 842 O SER A 58 4.515 -6.715 0.387 1.00 0.18 O ATOM 843 CB SER A 58 5.221 -4.393 -2.050 1.00 0.15 C ATOM 844 OG SER A 58 5.025 -5.255 -3.158 1.00 0.52 O ATOM 0 H SER A 58 5.248 -3.195 0.125 1.00 0.13 H new ATOM 0 HA SER A 58 3.236 -4.385 -1.218 1.00 0.15 H new ATOM 0 HB2 SER A 58 5.098 -3.357 -2.366 1.00 0.15 H new ATOM 0 HB3 SER A 58 6.242 -4.495 -1.683 1.00 0.15 H new ATOM 0 HG SER A 58 5.667 -5.031 -3.864 1.00 0.52 H new ATOM 850 N GLY A 59 3.659 -6.941 -1.679 1.00 0.18 N ATOM 851 CA GLY A 59 3.442 -8.386 -1.613 1.00 0.21 C ATOM 852 C GLY A 59 4.537 -9.247 -1.004 1.00 0.22 C ATOM 853 O GLY A 59 5.175 -8.886 -0.021 1.00 0.21 O ATOM 0 H GLY A 59 3.400 -6.531 -2.577 1.00 0.18 H new ATOM 0 HA2 GLY A 59 2.527 -8.560 -1.047 1.00 0.21 H new ATOM 0 HA3 GLY A 59 3.262 -8.743 -2.627 1.00 0.21 H new ATOM 857 N GLN A 60 4.684 -10.445 -1.572 1.00 0.27 N ATOM 858 CA GLN A 60 5.658 -11.422 -1.100 1.00 0.30 C ATOM 859 C GLN A 60 7.088 -10.931 -1.241 1.00 0.26 C ATOM 860 O GLN A 60 7.437 -10.296 -2.227 1.00 0.25 O ATOM 861 CB GLN A 60 5.511 -12.730 -1.869 1.00 0.38 C ATOM 862 CG GLN A 60 5.026 -12.534 -3.289 1.00 0.72 C ATOM 863 CD GLN A 60 4.900 -13.838 -4.051 1.00 0.72 C ATOM 864 OE1 GLN A 60 5.846 -14.286 -4.699 1.00 1.13 O ATOM 865 NE2 GLN A 60 3.725 -14.454 -3.978 1.00 1.53 N ATOM 0 H GLN A 60 4.132 -10.762 -2.369 1.00 0.27 H new ATOM 0 HA GLN A 60 5.454 -11.578 -0.041 1.00 0.30 H new ATOM 0 HB2 GLN A 60 6.472 -13.243 -1.888 1.00 0.38 H new ATOM 0 HB3 GLN A 60 4.813 -13.379 -1.340 1.00 0.38 H new ATOM 0 HG2 GLN A 60 4.058 -12.033 -3.272 1.00 0.72 H new ATOM 0 HG3 GLN A 60 5.716 -11.875 -3.816 1.00 0.72 H new ATOM 0 HE21 GLN A 60 2.969 -14.046 -3.429 1.00 1.53 H new ATOM 0 HE22 GLN A 60 3.579 -15.335 -4.471 1.00 1.53 H new ATOM 874 N ALA A 61 7.918 -11.276 -0.261 1.00 0.27 N ATOM 875 CA ALA A 61 9.324 -10.886 -0.253 1.00 0.25 C ATOM 876 C ALA A 61 9.998 -11.145 -1.596 1.00 0.25 C ATOM 877 O ALA A 61 10.950 -10.458 -1.963 1.00 0.25 O ATOM 878 CB ALA A 61 10.054 -11.626 0.851 1.00 0.27 C ATOM 0 H ALA A 61 7.636 -11.832 0.547 1.00 0.27 H new ATOM 0 HA ALA A 61 9.371 -9.813 -0.069 1.00 0.25 H new ATOM 0 HB1 ALA A 61 11.104 -11.332 0.854 1.00 0.27 H new ATOM 0 HB2 ALA A 61 9.605 -11.379 1.813 1.00 0.27 H new ATOM 0 HB3 ALA A 61 9.978 -12.700 0.681 1.00 0.27 H new ATOM 884 N LYS A 62 9.504 -12.142 -2.323 1.00 0.29 N ATOM 885 CA LYS A 62 10.063 -12.483 -3.626 1.00 0.32 C ATOM 886 C LYS A 62 9.584 -11.495 -4.690 1.00 0.31 C ATOM 887 O LYS A 62 10.292 -11.208 -5.657 1.00 0.40 O ATOM 888 CB LYS A 62 9.671 -13.910 -3.995 1.00 0.38 C ATOM 889 CG LYS A 62 10.102 -14.333 -5.391 1.00 0.82 C ATOM 890 CD LYS A 62 11.357 -15.191 -5.353 1.00 1.03 C ATOM 891 CE LYS A 62 11.099 -16.528 -4.676 1.00 1.20 C ATOM 892 NZ LYS A 62 12.316 -17.386 -4.659 1.00 2.04 N ATOM 0 H LYS A 62 8.720 -12.726 -2.033 1.00 0.29 H new ATOM 0 HA LYS A 62 11.150 -12.420 -3.575 1.00 0.32 H new ATOM 0 HB2 LYS A 62 10.109 -14.595 -3.269 1.00 0.38 H new ATOM 0 HB3 LYS A 62 8.589 -14.010 -3.915 1.00 0.38 H new ATOM 0 HG2 LYS A 62 9.295 -14.888 -5.869 1.00 0.82 H new ATOM 0 HG3 LYS A 62 10.284 -13.448 -6.000 1.00 0.82 H new ATOM 0 HD2 LYS A 62 11.714 -15.360 -6.369 1.00 1.03 H new ATOM 0 HD3 LYS A 62 12.146 -14.659 -4.821 1.00 1.03 H new ATOM 0 HE2 LYS A 62 10.760 -16.358 -3.654 1.00 1.20 H new ATOM 0 HE3 LYS A 62 10.295 -17.049 -5.196 1.00 1.20 H new ATOM 0 HZ1 LYS A 62 12.098 -18.288 -4.189 1.00 2.04 H new ATOM 0 HZ2 LYS A 62 12.625 -17.570 -5.635 1.00 2.04 H new ATOM 0 HZ3 LYS A 62 13.076 -16.900 -4.141 1.00 2.04 H new ATOM 906 N GLY A 63 8.374 -10.980 -4.494 1.00 0.26 N ATOM 907 CA GLY A 63 7.798 -10.013 -5.411 1.00 0.28 C ATOM 908 C GLY A 63 7.731 -8.645 -4.789 1.00 0.24 C ATOM 909 O GLY A 63 6.662 -8.039 -4.709 1.00 0.24 O ATOM 0 H GLY A 63 7.775 -11.220 -3.704 1.00 0.26 H new ATOM 0 HA2 GLY A 63 8.395 -9.972 -6.322 1.00 0.28 H new ATOM 0 HA3 GLY A 63 6.797 -10.333 -5.700 1.00 0.28 H new ATOM 913 N ILE A 64 8.880 -8.156 -4.354 1.00 0.21 N ATOM 914 CA ILE A 64 8.951 -6.868 -3.691 1.00 0.17 C ATOM 915 C ILE A 64 9.624 -5.788 -4.510 1.00 0.17 C ATOM 916 O ILE A 64 10.563 -6.030 -5.269 1.00 0.19 O ATOM 917 CB ILE A 64 9.618 -7.017 -2.308 1.00 0.15 C ATOM 918 CG1 ILE A 64 8.712 -7.825 -1.392 1.00 0.17 C ATOM 919 CG2 ILE A 64 9.927 -5.677 -1.670 1.00 0.14 C ATOM 920 CD1 ILE A 64 7.235 -7.641 -1.676 1.00 0.17 C ATOM 0 H ILE A 64 9.776 -8.633 -4.449 1.00 0.21 H new ATOM 0 HA ILE A 64 7.922 -6.531 -3.564 1.00 0.17 H new ATOM 0 HB ILE A 64 10.567 -7.534 -2.454 1.00 0.15 H new ATOM 0 HG12 ILE A 64 8.962 -8.881 -1.489 1.00 0.17 H new ATOM 0 HG13 ILE A 64 8.912 -7.543 -0.358 1.00 0.17 H new ATOM 0 HG21 ILE A 64 10.395 -5.836 -0.699 1.00 0.14 H new ATOM 0 HG22 ILE A 64 10.605 -5.116 -2.313 1.00 0.14 H new ATOM 0 HG23 ILE A 64 9.003 -5.114 -1.539 1.00 0.14 H new ATOM 0 HD11 ILE A 64 6.653 -8.248 -0.983 1.00 0.17 H new ATOM 0 HD12 ILE A 64 6.968 -6.592 -1.551 1.00 0.17 H new ATOM 0 HD13 ILE A 64 7.020 -7.951 -2.699 1.00 0.17 H new ATOM 932 N LEU A 65 9.074 -4.594 -4.339 1.00 0.17 N ATOM 933 CA LEU A 65 9.514 -3.380 -4.997 1.00 0.18 C ATOM 934 C LEU A 65 11.029 -3.307 -5.164 1.00 0.18 C ATOM 935 O LEU A 65 11.772 -4.039 -4.513 1.00 0.21 O ATOM 936 CB LEU A 65 9.029 -2.202 -4.168 1.00 0.18 C ATOM 937 CG LEU A 65 8.908 -2.485 -2.680 1.00 0.14 C ATOM 938 CD1 LEU A 65 10.273 -2.404 -2.018 1.00 0.16 C ATOM 939 CD2 LEU A 65 7.929 -1.528 -2.026 1.00 0.16 C ATOM 0 H LEU A 65 8.281 -4.443 -3.715 1.00 0.17 H new ATOM 0 HA LEU A 65 9.095 -3.363 -6.003 1.00 0.18 H new ATOM 0 HB2 LEU A 65 9.714 -1.367 -4.311 1.00 0.18 H new ATOM 0 HB3 LEU A 65 8.057 -1.885 -4.545 1.00 0.18 H new ATOM 0 HG LEU A 65 8.521 -3.496 -2.549 1.00 0.14 H new ATOM 0 HD11 LEU A 65 10.173 -2.609 -0.952 1.00 0.16 H new ATOM 0 HD12 LEU A 65 10.940 -3.140 -2.468 1.00 0.16 H new ATOM 0 HD13 LEU A 65 10.687 -1.405 -2.159 1.00 0.16 H new ATOM 0 HD21 LEU A 65 7.859 -1.750 -0.961 1.00 0.16 H new ATOM 0 HD22 LEU A 65 8.276 -0.504 -2.161 1.00 0.16 H new ATOM 0 HD23 LEU A 65 6.947 -1.642 -2.485 1.00 0.16 H new ATOM 951 N GLU A 66 11.485 -2.397 -6.024 1.00 0.23 N ATOM 952 CA GLU A 66 12.917 -2.233 -6.272 1.00 0.29 C ATOM 953 C GLU A 66 13.186 -0.876 -6.896 1.00 0.40 C ATOM 954 O GLU A 66 12.760 -0.602 -8.017 1.00 0.46 O ATOM 955 CB GLU A 66 13.441 -3.354 -7.168 1.00 0.30 C ATOM 956 CG GLU A 66 14.239 -4.398 -6.407 1.00 0.39 C ATOM 957 CD GLU A 66 15.670 -3.966 -6.155 1.00 1.02 C ATOM 958 OE1 GLU A 66 15.876 -3.044 -5.339 1.00 1.41 O ATOM 959 OE2 GLU A 66 16.584 -4.551 -6.772 1.00 1.54 O ATOM 0 H GLU A 66 10.888 -1.766 -6.558 1.00 0.23 H new ATOM 0 HA GLU A 66 13.445 -2.289 -5.320 1.00 0.29 H new ATOM 0 HB2 GLU A 66 12.600 -3.838 -7.664 1.00 0.30 H new ATOM 0 HB3 GLU A 66 14.068 -2.924 -7.949 1.00 0.30 H new ATOM 0 HG2 GLU A 66 13.751 -4.600 -5.454 1.00 0.39 H new ATOM 0 HG3 GLU A 66 14.239 -5.332 -6.969 1.00 0.39 H new ATOM 966 N GLY A 67 13.903 -0.025 -6.164 1.00 0.46 N ATOM 967 CA GLY A 67 14.166 1.313 -6.650 1.00 0.57 C ATOM 968 C GLY A 67 12.872 2.094 -6.710 1.00 0.52 C ATOM 969 O GLY A 67 12.835 3.251 -7.130 1.00 0.60 O ATOM 0 H GLY A 67 14.302 -0.239 -5.250 1.00 0.46 H new ATOM 0 HA2 GLY A 67 14.876 1.816 -5.994 1.00 0.57 H new ATOM 0 HA3 GLY A 67 14.622 1.269 -7.639 1.00 0.57 H new ATOM 973 N LYS A 68 11.807 1.426 -6.276 1.00 0.38 N ATOM 974 CA LYS A 68 10.472 1.983 -6.256 1.00 0.32 C ATOM 975 C LYS A 68 9.744 1.520 -4.999 1.00 0.20 C ATOM 976 O LYS A 68 9.997 0.426 -4.519 1.00 0.18 O ATOM 977 CB LYS A 68 9.717 1.481 -7.485 1.00 0.37 C ATOM 978 CG LYS A 68 9.153 0.085 -7.312 1.00 0.44 C ATOM 979 CD LYS A 68 7.635 0.097 -7.250 1.00 0.48 C ATOM 980 CE LYS A 68 7.092 -1.295 -6.997 1.00 0.47 C ATOM 981 NZ LYS A 68 7.055 -2.113 -8.240 1.00 0.83 N ATOM 0 H LYS A 68 11.855 0.470 -5.925 1.00 0.38 H new ATOM 0 HA LYS A 68 10.524 3.072 -6.262 1.00 0.32 H new ATOM 0 HB2 LYS A 68 8.902 2.170 -7.709 1.00 0.37 H new ATOM 0 HB3 LYS A 68 10.388 1.491 -8.344 1.00 0.37 H new ATOM 0 HG2 LYS A 68 9.479 -0.544 -8.140 1.00 0.44 H new ATOM 0 HG3 LYS A 68 9.551 -0.358 -6.399 1.00 0.44 H new ATOM 0 HD2 LYS A 68 7.305 0.770 -6.458 1.00 0.48 H new ATOM 0 HD3 LYS A 68 7.232 0.484 -8.186 1.00 0.48 H new ATOM 0 HE2 LYS A 68 7.710 -1.796 -6.252 1.00 0.47 H new ATOM 0 HE3 LYS A 68 6.087 -1.222 -6.581 1.00 0.47 H new ATOM 0 HZ1 LYS A 68 6.677 -3.057 -8.023 1.00 0.83 H new ATOM 0 HZ2 LYS A 68 6.445 -1.649 -8.943 1.00 0.83 H new ATOM 0 HZ3 LYS A 68 8.017 -2.205 -8.624 1.00 0.83 H new ATOM 995 N PHE A 69 8.903 2.360 -4.425 1.00 0.16 N ATOM 996 CA PHE A 69 8.131 1.944 -3.262 1.00 0.18 C ATOM 997 C PHE A 69 6.640 2.025 -3.554 1.00 0.23 C ATOM 998 O PHE A 69 6.188 2.956 -4.210 1.00 0.34 O ATOM 999 CB PHE A 69 8.422 2.802 -2.021 1.00 0.31 C ATOM 1000 CG PHE A 69 7.160 3.346 -1.414 1.00 1.13 C ATOM 1001 CD1 PHE A 69 6.354 2.561 -0.604 1.00 1.76 C ATOM 1002 CD2 PHE A 69 6.759 4.628 -1.695 1.00 1.32 C ATOM 1003 CE1 PHE A 69 5.181 3.067 -0.086 1.00 2.54 C ATOM 1004 CE2 PHE A 69 5.585 5.128 -1.186 1.00 2.09 C ATOM 1005 CZ PHE A 69 4.797 4.350 -0.378 1.00 2.69 C ATOM 0 H PHE A 69 8.736 3.317 -4.735 1.00 0.16 H new ATOM 0 HA PHE A 69 8.429 0.917 -3.053 1.00 0.18 H new ATOM 0 HB2 PHE A 69 8.953 2.203 -1.281 1.00 0.31 H new ATOM 0 HB3 PHE A 69 9.079 3.627 -2.295 1.00 0.31 H new ATOM 0 HD1 PHE A 69 6.647 1.547 -0.377 1.00 1.76 H new ATOM 0 HD2 PHE A 69 7.375 5.253 -2.325 1.00 1.32 H new ATOM 0 HE1 PHE A 69 4.563 2.451 0.551 1.00 2.54 H new ATOM 0 HE2 PHE A 69 5.282 6.137 -1.423 1.00 2.09 H new ATOM 0 HZ PHE A 69 3.877 4.746 0.027 1.00 2.69 H new ATOM 1015 N THR A 70 5.886 1.047 -3.086 1.00 0.20 N ATOM 1016 CA THR A 70 4.440 1.102 -3.213 1.00 0.24 C ATOM 1017 C THR A 70 3.773 0.300 -2.112 1.00 0.24 C ATOM 1018 O THR A 70 3.931 -0.919 -2.035 1.00 0.34 O ATOM 1019 CB THR A 70 3.920 0.609 -4.566 1.00 0.26 C ATOM 1020 OG1 THR A 70 4.891 0.858 -5.591 1.00 0.29 O ATOM 1021 CG2 THR A 70 2.611 1.328 -4.904 1.00 0.28 C ATOM 0 H THR A 70 6.245 0.214 -2.620 1.00 0.20 H new ATOM 0 HA THR A 70 4.183 2.158 -3.129 1.00 0.24 H new ATOM 0 HB THR A 70 3.740 -0.464 -4.508 1.00 0.26 H new ATOM 0 HG1 THR A 70 4.548 0.537 -6.451 1.00 0.29 H new ATOM 0 HG21 THR A 70 2.241 0.977 -5.867 1.00 0.28 H new ATOM 0 HG22 THR A 70 1.871 1.117 -4.132 1.00 0.28 H new ATOM 0 HG23 THR A 70 2.788 2.402 -4.953 1.00 0.28 H new ATOM 1029 N LEU A 71 3.024 0.986 -1.261 1.00 0.16 N ATOM 1030 CA LEU A 71 2.307 0.322 -0.186 1.00 0.15 C ATOM 1031 C LEU A 71 0.817 0.377 -0.446 1.00 0.14 C ATOM 1032 O LEU A 71 0.302 1.390 -0.918 1.00 0.15 O ATOM 1033 CB LEU A 71 2.606 0.967 1.164 1.00 0.16 C ATOM 1034 CG LEU A 71 3.973 0.655 1.782 1.00 0.20 C ATOM 1035 CD1 LEU A 71 3.797 0.148 3.197 1.00 0.39 C ATOM 1036 CD2 LEU A 71 4.773 -0.344 0.953 1.00 0.25 C ATOM 0 H LEU A 71 2.898 1.998 -1.295 1.00 0.16 H new ATOM 0 HA LEU A 71 2.641 -0.715 -0.156 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.521 2.048 1.052 1.00 0.16 H new ATOM 0 HB3 LEU A 71 1.834 0.657 1.869 1.00 0.16 H new ATOM 0 HG LEU A 71 4.544 1.583 1.796 1.00 0.20 H new ATOM 0 HD11 LEU A 71 4.773 -0.071 3.629 1.00 0.39 H new ATOM 0 HD12 LEU A 71 3.298 0.909 3.797 1.00 0.39 H new ATOM 0 HD13 LEU A 71 3.193 -0.759 3.186 1.00 0.39 H new ATOM 0 HD21 LEU A 71 5.733 -0.530 1.435 1.00 0.25 H new ATOM 0 HD22 LEU A 71 4.218 -1.279 0.875 1.00 0.25 H new ATOM 0 HD23 LEU A 71 4.940 0.062 -0.044 1.00 0.25 H new ATOM 1048 N LYS A 72 0.125 -0.706 -0.141 1.00 0.18 N ATOM 1049 CA LYS A 72 -1.308 -0.743 -0.345 1.00 0.18 C ATOM 1050 C LYS A 72 -2.042 -0.732 0.974 1.00 0.20 C ATOM 1051 O LYS A 72 -1.670 -1.416 1.929 1.00 0.36 O ATOM 1052 CB LYS A 72 -1.740 -1.954 -1.165 1.00 0.24 C ATOM 1053 CG LYS A 72 -3.252 -2.080 -1.259 1.00 0.30 C ATOM 1054 CD LYS A 72 -3.675 -3.056 -2.346 1.00 1.09 C ATOM 1055 CE LYS A 72 -3.441 -2.483 -3.734 1.00 2.45 C ATOM 1056 NZ LYS A 72 -4.274 -1.274 -3.985 1.00 3.31 N ATOM 0 H LYS A 72 0.527 -1.561 0.244 1.00 0.18 H new ATOM 0 HA LYS A 72 -1.567 0.154 -0.907 1.00 0.18 H new ATOM 0 HB2 LYS A 72 -1.321 -1.878 -2.169 1.00 0.24 H new ATOM 0 HB3 LYS A 72 -1.330 -2.859 -0.716 1.00 0.24 H new ATOM 0 HG2 LYS A 72 -3.649 -2.412 -0.299 1.00 0.30 H new ATOM 0 HG3 LYS A 72 -3.686 -1.101 -1.462 1.00 0.30 H new ATOM 0 HD2 LYS A 72 -3.118 -3.987 -2.237 1.00 1.09 H new ATOM 0 HD3 LYS A 72 -4.730 -3.300 -2.226 1.00 1.09 H new ATOM 0 HE2 LYS A 72 -2.387 -2.228 -3.848 1.00 2.45 H new ATOM 0 HE3 LYS A 72 -3.668 -3.242 -4.483 1.00 2.45 H new ATOM 0 HZ1 LYS A 72 -4.860 -1.426 -4.831 1.00 3.31 H new ATOM 0 HZ2 LYS A 72 -4.889 -1.100 -3.164 1.00 3.31 H new ATOM 0 HZ3 LYS A 72 -3.656 -0.451 -4.135 1.00 3.31 H new ATOM 1070 N ALA A 73 -3.090 0.059 1.003 1.00 0.12 N ATOM 1071 CA ALA A 73 -3.916 0.204 2.172 1.00 0.11 C ATOM 1072 C ALA A 73 -5.260 -0.470 1.959 1.00 0.10 C ATOM 1073 O ALA A 73 -5.726 -0.582 0.829 1.00 0.12 O ATOM 1074 CB ALA A 73 -4.099 1.677 2.443 1.00 0.10 C ATOM 0 H ALA A 73 -3.393 0.623 0.208 1.00 0.12 H new ATOM 0 HA ALA A 73 -3.438 -0.273 3.027 1.00 0.11 H new ATOM 0 HB1 ALA A 73 -4.723 1.810 3.327 1.00 0.10 H new ATOM 0 HB2 ALA A 73 -3.127 2.139 2.613 1.00 0.10 H new ATOM 0 HB3 ALA A 73 -4.580 2.148 1.585 1.00 0.10 H new ATOM 1080 N VAL A 74 -5.885 -0.903 3.044 1.00 0.09 N ATOM 1081 CA VAL A 74 -7.171 -1.573 2.965 1.00 0.09 C ATOM 1082 C VAL A 74 -8.132 -1.059 4.023 1.00 0.10 C ATOM 1083 O VAL A 74 -7.800 -0.991 5.203 1.00 0.19 O ATOM 1084 CB VAL A 74 -6.999 -3.088 3.115 1.00 0.12 C ATOM 1085 CG1 VAL A 74 -8.316 -3.760 3.482 1.00 0.13 C ATOM 1086 CG2 VAL A 74 -6.443 -3.662 1.830 1.00 0.13 C ATOM 0 H VAL A 74 -5.520 -0.801 3.991 1.00 0.09 H new ATOM 0 HA VAL A 74 -7.593 -1.354 1.984 1.00 0.09 H new ATOM 0 HB VAL A 74 -6.298 -3.282 3.927 1.00 0.12 H new ATOM 0 HG11 VAL A 74 -8.161 -4.834 3.581 1.00 0.13 H new ATOM 0 HG12 VAL A 74 -8.679 -3.357 4.427 1.00 0.13 H new ATOM 0 HG13 VAL A 74 -9.052 -3.570 2.700 1.00 0.13 H new ATOM 0 HG21 VAL A 74 -6.320 -4.740 1.936 1.00 0.13 H new ATOM 0 HG22 VAL A 74 -7.131 -3.454 1.011 1.00 0.13 H new ATOM 0 HG23 VAL A 74 -5.476 -3.206 1.616 1.00 0.13 H new ATOM 1096 N ALA A 75 -9.339 -0.734 3.591 1.00 0.10 N ATOM 1097 CA ALA A 75 -10.356 -0.214 4.486 1.00 0.11 C ATOM 1098 C ALA A 75 -10.509 -1.077 5.725 1.00 0.11 C ATOM 1099 O ALA A 75 -10.572 -2.300 5.651 1.00 0.19 O ATOM 1100 CB ALA A 75 -11.684 -0.112 3.759 1.00 0.12 C ATOM 0 H ALA A 75 -9.638 -0.822 2.620 1.00 0.10 H new ATOM 0 HA ALA A 75 -10.039 0.778 4.808 1.00 0.11 H new ATOM 0 HB1 ALA A 75 -12.442 0.279 4.438 1.00 0.12 H new ATOM 0 HB2 ALA A 75 -11.581 0.558 2.906 1.00 0.12 H new ATOM 0 HB3 ALA A 75 -11.985 -1.100 3.410 1.00 0.12 H new ATOM 1106 N LEU A 76 -10.533 -0.422 6.870 1.00 0.11 N ATOM 1107 CA LEU A 76 -10.718 -1.105 8.129 1.00 0.11 C ATOM 1108 C LEU A 76 -12.152 -1.603 8.170 1.00 0.12 C ATOM 1109 O LEU A 76 -12.464 -2.636 8.758 1.00 0.15 O ATOM 1110 CB LEU A 76 -10.404 -0.145 9.271 1.00 0.12 C ATOM 1111 CG LEU A 76 -9.038 0.528 9.130 1.00 0.14 C ATOM 1112 CD1 LEU A 76 -8.893 1.696 10.089 1.00 0.16 C ATOM 1113 CD2 LEU A 76 -7.926 -0.487 9.347 1.00 0.18 C ATOM 0 H LEU A 76 -10.426 0.589 6.950 1.00 0.11 H new ATOM 0 HA LEU A 76 -10.047 -1.957 8.234 1.00 0.11 H new ATOM 0 HB2 LEU A 76 -11.177 0.622 9.316 1.00 0.12 H new ATOM 0 HB3 LEU A 76 -10.439 -0.689 10.215 1.00 0.12 H new ATOM 0 HG LEU A 76 -8.960 0.923 8.117 1.00 0.14 H new ATOM 0 HD11 LEU A 76 -7.911 2.151 9.962 1.00 0.16 H new ATOM 0 HD12 LEU A 76 -9.666 2.436 9.880 1.00 0.16 H new ATOM 0 HD13 LEU A 76 -8.998 1.340 11.114 1.00 0.16 H new ATOM 0 HD21 LEU A 76 -6.959 0.005 9.244 1.00 0.18 H new ATOM 0 HD22 LEU A 76 -8.012 -0.912 10.347 1.00 0.18 H new ATOM 0 HD23 LEU A 76 -8.009 -1.282 8.606 1.00 0.18 H new ATOM 1125 N ASP A 77 -13.020 -0.823 7.535 1.00 0.13 N ATOM 1126 CA ASP A 77 -14.429 -1.167 7.402 1.00 0.17 C ATOM 1127 C ASP A 77 -14.650 -1.797 6.035 1.00 0.17 C ATOM 1128 O ASP A 77 -15.742 -1.722 5.481 1.00 0.21 O ATOM 1129 CB ASP A 77 -15.326 0.064 7.546 1.00 0.22 C ATOM 1130 CG ASP A 77 -14.838 1.020 8.617 1.00 0.24 C ATOM 1131 OD1 ASP A 77 -14.041 1.924 8.287 1.00 0.26 O ATOM 1132 OD2 ASP A 77 -15.253 0.866 9.784 1.00 0.28 O ATOM 0 H ASP A 77 -12.766 0.064 7.099 1.00 0.13 H new ATOM 0 HA ASP A 77 -14.692 -1.865 8.197 1.00 0.17 H new ATOM 0 HB2 ASP A 77 -15.374 0.588 6.591 1.00 0.22 H new ATOM 0 HB3 ASP A 77 -16.340 -0.256 7.785 1.00 0.22 H new ATOM 1137 N ARG A 78 -13.586 -2.379 5.486 1.00 0.15 N ATOM 1138 CA ARG A 78 -13.627 -2.998 4.171 1.00 0.17 C ATOM 1139 C ARG A 78 -14.792 -3.964 4.010 1.00 0.23 C ATOM 1140 O ARG A 78 -15.264 -4.178 2.893 1.00 0.25 O ATOM 1141 CB ARG A 78 -12.315 -3.686 3.886 1.00 0.21 C ATOM 1142 CG ARG A 78 -12.017 -4.853 4.789 1.00 0.33 C ATOM 1143 CD ARG A 78 -11.234 -5.863 4.005 1.00 0.47 C ATOM 1144 NE ARG A 78 -11.177 -7.163 4.666 1.00 0.47 N ATOM 1145 CZ ARG A 78 -11.080 -8.319 4.016 1.00 0.67 C ATOM 1146 NH1 ARG A 78 -11.030 -8.335 2.689 1.00 1.10 N ATOM 1147 NH2 ARG A 78 -11.033 -9.458 4.691 1.00 0.79 N ATOM 0 H ARG A 78 -12.675 -2.433 5.942 1.00 0.15 H new ATOM 0 HA ARG A 78 -13.785 -2.203 3.442 1.00 0.17 H new ATOM 0 HB2 ARG A 78 -12.317 -4.033 2.853 1.00 0.21 H new ATOM 0 HB3 ARG A 78 -11.509 -2.957 3.976 1.00 0.21 H new ATOM 0 HG2 ARG A 78 -11.450 -4.525 5.660 1.00 0.33 H new ATOM 0 HG3 ARG A 78 -12.943 -5.294 5.159 1.00 0.33 H new ATOM 0 HD2 ARG A 78 -11.683 -5.980 3.019 1.00 0.47 H new ATOM 0 HD3 ARG A 78 -10.220 -5.492 3.852 1.00 0.47 H new ATOM 0 HE ARG A 78 -11.214 -7.186 5.685 1.00 0.47 H new ATOM 0 HH11 ARG A 78 -11.066 -7.460 2.167 1.00 1.10 H new ATOM 0 HH12 ARG A 78 -10.956 -9.223 2.192 1.00 1.10 H new ATOM 0 HH21 ARG A 78 -11.071 -9.449 5.710 1.00 0.79 H new ATOM 0 HH22 ARG A 78 -10.959 -10.344 4.191 1.00 0.79 H new ATOM 1161 N GLU A 79 -15.248 -4.557 5.110 1.00 0.27 N ATOM 1162 CA GLU A 79 -16.391 -5.461 5.050 1.00 0.34 C ATOM 1163 C GLU A 79 -17.523 -4.740 4.337 1.00 0.35 C ATOM 1164 O GLU A 79 -18.401 -5.347 3.723 1.00 0.40 O ATOM 1165 CB GLU A 79 -16.832 -5.861 6.456 1.00 0.38 C ATOM 1166 CG GLU A 79 -15.681 -6.240 7.372 1.00 0.37 C ATOM 1167 CD GLU A 79 -16.138 -6.559 8.781 1.00 0.45 C ATOM 1168 OE1 GLU A 79 -16.524 -7.720 9.032 1.00 0.53 O ATOM 1169 OE2 GLU A 79 -16.112 -5.647 9.635 1.00 0.48 O ATOM 0 H GLU A 79 -14.850 -4.430 6.041 1.00 0.27 H new ATOM 0 HA GLU A 79 -16.118 -6.369 4.512 1.00 0.34 H new ATOM 0 HB2 GLU A 79 -17.384 -5.034 6.903 1.00 0.38 H new ATOM 0 HB3 GLU A 79 -17.521 -6.703 6.386 1.00 0.38 H new ATOM 0 HG2 GLU A 79 -15.162 -7.104 6.958 1.00 0.37 H new ATOM 0 HG3 GLU A 79 -14.962 -5.421 7.404 1.00 0.37 H new ATOM 1176 N ALA A 80 -17.462 -3.423 4.448 1.00 0.31 N ATOM 1177 CA ALA A 80 -18.414 -2.520 3.840 1.00 0.33 C ATOM 1178 C ALA A 80 -17.788 -1.783 2.652 1.00 0.29 C ATOM 1179 O ALA A 80 -18.492 -1.350 1.739 1.00 0.31 O ATOM 1180 CB ALA A 80 -18.879 -1.518 4.885 1.00 0.34 C ATOM 0 H ALA A 80 -16.731 -2.946 4.976 1.00 0.31 H new ATOM 0 HA ALA A 80 -19.263 -3.095 3.470 1.00 0.33 H new ATOM 0 HB1 ALA A 80 -19.598 -0.832 4.437 1.00 0.34 H new ATOM 0 HB2 ALA A 80 -19.351 -2.048 5.713 1.00 0.34 H new ATOM 0 HB3 ALA A 80 -18.022 -0.955 5.256 1.00 0.34 H new ATOM 1186 N GLU A 81 -16.459 -1.648 2.670 1.00 0.24 N ATOM 1187 CA GLU A 81 -15.741 -0.937 1.610 1.00 0.20 C ATOM 1188 C GLU A 81 -14.626 -1.793 0.993 1.00 0.17 C ATOM 1189 O GLU A 81 -13.482 -1.736 1.441 1.00 0.16 O ATOM 1190 CB GLU A 81 -15.131 0.342 2.181 1.00 0.19 C ATOM 1191 CG GLU A 81 -15.986 1.018 3.241 1.00 0.26 C ATOM 1192 CD GLU A 81 -17.258 1.618 2.675 1.00 1.21 C ATOM 1193 OE1 GLU A 81 -17.168 2.656 1.985 1.00 1.14 O ATOM 1194 OE2 GLU A 81 -18.344 1.055 2.924 1.00 2.18 O ATOM 0 H GLU A 81 -15.860 -2.021 3.406 1.00 0.24 H new ATOM 0 HA GLU A 81 -16.459 -0.704 0.824 1.00 0.20 H new ATOM 0 HB2 GLU A 81 -14.157 0.107 2.611 1.00 0.19 H new ATOM 0 HB3 GLU A 81 -14.959 1.045 1.366 1.00 0.19 H new ATOM 0 HG2 GLU A 81 -16.244 0.291 4.011 1.00 0.26 H new ATOM 0 HG3 GLU A 81 -15.404 1.802 3.725 1.00 0.26 H new ATOM 1201 N PRO A 82 -14.934 -2.585 -0.053 1.00 0.23 N ATOM 1202 CA PRO A 82 -13.930 -3.429 -0.717 1.00 0.23 C ATOM 1203 C PRO A 82 -12.831 -2.598 -1.372 1.00 0.18 C ATOM 1204 O PRO A 82 -11.779 -3.120 -1.742 1.00 0.19 O ATOM 1205 CB PRO A 82 -14.733 -4.190 -1.780 1.00 0.30 C ATOM 1206 CG PRO A 82 -15.965 -3.380 -1.990 1.00 0.35 C ATOM 1207 CD PRO A 82 -16.264 -2.725 -0.669 1.00 0.34 C ATOM 0 HA PRO A 82 -13.419 -4.084 -0.012 1.00 0.23 H new ATOM 0 HB2 PRO A 82 -14.165 -4.291 -2.705 1.00 0.30 H new ATOM 0 HB3 PRO A 82 -14.976 -5.198 -1.443 1.00 0.30 H new ATOM 0 HG2 PRO A 82 -15.812 -2.633 -2.769 1.00 0.35 H new ATOM 0 HG3 PRO A 82 -16.795 -4.009 -2.310 1.00 0.35 H new ATOM 0 HD2 PRO A 82 -16.751 -1.758 -0.800 1.00 0.34 H new ATOM 0 HD3 PRO A 82 -16.928 -3.336 -0.058 1.00 0.34 H new ATOM 1215 N ARG A 83 -13.089 -1.299 -1.510 1.00 0.15 N ATOM 1216 CA ARG A 83 -12.130 -0.380 -2.118 1.00 0.13 C ATOM 1217 C ARG A 83 -10.770 -0.450 -1.434 1.00 0.12 C ATOM 1218 O ARG A 83 -10.672 -0.571 -0.213 1.00 0.18 O ATOM 1219 CB ARG A 83 -12.659 1.052 -2.086 1.00 0.14 C ATOM 1220 CG ARG A 83 -13.604 1.368 -3.233 1.00 0.19 C ATOM 1221 CD ARG A 83 -13.989 2.836 -3.250 1.00 0.26 C ATOM 1222 NE ARG A 83 -14.747 3.190 -4.447 1.00 0.50 N ATOM 1223 CZ ARG A 83 -14.510 4.275 -5.179 1.00 0.59 C ATOM 1224 NH1 ARG A 83 -13.528 5.105 -4.846 1.00 0.60 N ATOM 1225 NH2 ARG A 83 -15.254 4.531 -6.246 1.00 0.89 N ATOM 0 H ARG A 83 -13.958 -0.858 -1.208 1.00 0.15 H new ATOM 0 HA ARG A 83 -12.001 -0.688 -3.156 1.00 0.13 H new ATOM 0 HB2 ARG A 83 -13.176 1.220 -1.141 1.00 0.14 H new ATOM 0 HB3 ARG A 83 -11.817 1.744 -2.116 1.00 0.14 H new ATOM 0 HG2 ARG A 83 -13.131 1.104 -4.179 1.00 0.19 H new ATOM 0 HG3 ARG A 83 -14.502 0.757 -3.145 1.00 0.19 H new ATOM 0 HD2 ARG A 83 -14.582 3.065 -2.365 1.00 0.26 H new ATOM 0 HD3 ARG A 83 -13.088 3.447 -3.198 1.00 0.26 H new ATOM 0 HE ARG A 83 -15.502 2.569 -4.739 1.00 0.50 H new ATOM 0 HH11 ARG A 83 -12.952 4.911 -4.026 1.00 0.60 H new ATOM 0 HH12 ARG A 83 -13.349 5.936 -5.410 1.00 0.60 H new ATOM 0 HH21 ARG A 83 -16.009 3.896 -6.506 1.00 0.89 H new ATOM 0 HH22 ARG A 83 -15.072 5.363 -6.807 1.00 0.89 H new ATOM 1239 N VAL A 84 -9.727 -0.365 -2.249 1.00 0.09 N ATOM 1240 CA VAL A 84 -8.350 -0.413 -1.773 1.00 0.09 C ATOM 1241 C VAL A 84 -7.548 0.732 -2.389 1.00 0.08 C ATOM 1242 O VAL A 84 -7.981 1.328 -3.369 1.00 0.09 O ATOM 1243 CB VAL A 84 -7.680 -1.758 -2.137 1.00 0.11 C ATOM 1244 CG1 VAL A 84 -7.070 -2.393 -0.913 1.00 0.12 C ATOM 1245 CG2 VAL A 84 -8.677 -2.716 -2.770 1.00 0.12 C ATOM 0 H VAL A 84 -9.811 -0.261 -3.260 1.00 0.09 H new ATOM 0 HA VAL A 84 -8.365 -0.315 -0.688 1.00 0.09 H new ATOM 0 HB VAL A 84 -6.893 -1.550 -2.862 1.00 0.11 H new ATOM 0 HG11 VAL A 84 -6.603 -3.339 -1.188 1.00 0.12 H new ATOM 0 HG12 VAL A 84 -6.318 -1.725 -0.493 1.00 0.12 H new ATOM 0 HG13 VAL A 84 -7.848 -2.575 -0.171 1.00 0.12 H new ATOM 0 HG21 VAL A 84 -8.176 -3.653 -3.015 1.00 0.12 H new ATOM 0 HG22 VAL A 84 -9.489 -2.911 -2.070 1.00 0.12 H new ATOM 0 HG23 VAL A 84 -9.081 -2.272 -3.680 1.00 0.12 H new ATOM 1255 N LEU A 85 -6.392 1.059 -1.815 1.00 0.10 N ATOM 1256 CA LEU A 85 -5.575 2.141 -2.363 1.00 0.09 C ATOM 1257 C LEU A 85 -4.088 1.825 -2.285 1.00 0.10 C ATOM 1258 O LEU A 85 -3.659 0.954 -1.536 1.00 0.11 O ATOM 1259 CB LEU A 85 -5.845 3.455 -1.628 1.00 0.09 C ATOM 1260 CG LEU A 85 -5.281 4.711 -2.304 1.00 0.09 C ATOM 1261 CD1 LEU A 85 -6.172 5.154 -3.463 1.00 0.09 C ATOM 1262 CD2 LEU A 85 -5.107 5.834 -1.290 1.00 0.09 C ATOM 0 H LEU A 85 -6.006 0.602 -0.989 1.00 0.10 H new ATOM 0 HA LEU A 85 -5.855 2.243 -3.412 1.00 0.09 H new ATOM 0 HB2 LEU A 85 -6.923 3.575 -1.516 1.00 0.09 H new ATOM 0 HB3 LEU A 85 -5.426 3.384 -0.624 1.00 0.09 H new ATOM 0 HG LEU A 85 -4.300 4.467 -2.712 1.00 0.09 H new ATOM 0 HD11 LEU A 85 -5.750 6.046 -3.926 1.00 0.09 H new ATOM 0 HD12 LEU A 85 -6.231 4.355 -4.202 1.00 0.09 H new ATOM 0 HD13 LEU A 85 -7.171 5.377 -3.089 1.00 0.09 H new ATOM 0 HD21 LEU A 85 -4.706 6.716 -1.789 1.00 0.09 H new ATOM 0 HD22 LEU A 85 -6.073 6.076 -0.846 1.00 0.09 H new ATOM 0 HD23 LEU A 85 -4.418 5.515 -0.508 1.00 0.09 H new ATOM 1274 N ARG A 86 -3.316 2.552 -3.075 1.00 0.10 N ATOM 1275 CA ARG A 86 -1.866 2.403 -3.110 1.00 0.11 C ATOM 1276 C ARG A 86 -1.240 3.745 -3.449 1.00 0.11 C ATOM 1277 O ARG A 86 -1.839 4.536 -4.158 1.00 0.10 O ATOM 1278 CB ARG A 86 -1.435 1.341 -4.140 1.00 0.13 C ATOM 1279 CG ARG A 86 -0.610 1.880 -5.296 1.00 0.33 C ATOM 1280 CD ARG A 86 -0.194 0.768 -6.246 1.00 0.32 C ATOM 1281 NE ARG A 86 0.568 1.280 -7.382 1.00 0.71 N ATOM 1282 CZ ARG A 86 0.869 0.559 -8.458 1.00 1.08 C ATOM 1283 NH1 ARG A 86 0.463 -0.701 -8.552 1.00 1.24 N ATOM 1284 NH2 ARG A 86 1.576 1.098 -9.442 1.00 1.41 N ATOM 0 H ARG A 86 -3.675 3.264 -3.712 1.00 0.10 H new ATOM 0 HA ARG A 86 -1.524 2.068 -2.131 1.00 0.11 H new ATOM 0 HB2 ARG A 86 -0.859 0.570 -3.628 1.00 0.13 H new ATOM 0 HB3 ARG A 86 -2.327 0.859 -4.541 1.00 0.13 H new ATOM 0 HG2 ARG A 86 -1.187 2.628 -5.839 1.00 0.33 H new ATOM 0 HG3 ARG A 86 0.277 2.381 -4.909 1.00 0.33 H new ATOM 0 HD2 ARG A 86 0.406 0.035 -5.707 1.00 0.32 H new ATOM 0 HD3 ARG A 86 -1.081 0.249 -6.608 1.00 0.32 H new ATOM 0 HE ARG A 86 0.888 2.248 -7.348 1.00 0.71 H new ATOM 0 HH11 ARG A 86 -0.082 -1.119 -7.798 1.00 1.24 H new ATOM 0 HH12 ARG A 86 0.696 -1.251 -9.379 1.00 1.24 H new ATOM 0 HH21 ARG A 86 1.889 2.066 -9.374 1.00 1.41 H new ATOM 0 HH22 ARG A 86 1.806 0.544 -10.267 1.00 1.41 H new ATOM 1298 N LEU A 87 -0.048 4.001 -2.936 1.00 0.12 N ATOM 1299 CA LEU A 87 0.650 5.251 -3.213 1.00 0.11 C ATOM 1300 C LEU A 87 2.148 5.006 -3.190 1.00 0.13 C ATOM 1301 O LEU A 87 2.673 4.447 -2.232 1.00 0.16 O ATOM 1302 CB LEU A 87 0.261 6.325 -2.189 1.00 0.11 C ATOM 1303 CG LEU A 87 0.700 7.759 -2.498 1.00 0.11 C ATOM 1304 CD1 LEU A 87 0.566 8.051 -3.980 1.00 0.09 C ATOM 1305 CD2 LEU A 87 -0.131 8.741 -1.685 1.00 0.11 C ATOM 0 H LEU A 87 0.459 3.361 -2.325 1.00 0.12 H new ATOM 0 HA LEU A 87 0.362 5.611 -4.201 1.00 0.11 H new ATOM 0 HB2 LEU A 87 -0.824 6.317 -2.082 1.00 0.11 H new ATOM 0 HB3 LEU A 87 0.679 6.042 -1.223 1.00 0.11 H new ATOM 0 HG LEU A 87 1.749 7.871 -2.223 1.00 0.11 H new ATOM 0 HD11 LEU A 87 0.883 9.075 -4.179 1.00 0.09 H new ATOM 0 HD12 LEU A 87 1.193 7.361 -4.545 1.00 0.09 H new ATOM 0 HD13 LEU A 87 -0.474 7.928 -4.283 1.00 0.09 H new ATOM 0 HD21 LEU A 87 0.186 9.759 -1.910 1.00 0.11 H new ATOM 0 HD22 LEU A 87 -1.184 8.625 -1.940 1.00 0.11 H new ATOM 0 HD23 LEU A 87 0.009 8.543 -0.622 1.00 0.11 H new ATOM 1317 N ASN A 88 2.832 5.413 -4.250 1.00 0.11 N ATOM 1318 CA ASN A 88 4.274 5.200 -4.341 1.00 0.13 C ATOM 1319 C ASN A 88 5.067 6.458 -3.972 1.00 0.12 C ATOM 1320 O ASN A 88 4.494 7.515 -3.714 1.00 0.11 O ATOM 1321 CB ASN A 88 4.655 4.717 -5.743 1.00 0.14 C ATOM 1322 CG ASN A 88 4.074 5.582 -6.837 1.00 0.61 C ATOM 1323 OD1 ASN A 88 3.857 6.774 -6.645 1.00 1.44 O ATOM 1324 ND2 ASN A 88 3.819 4.985 -7.994 1.00 1.32 N ATOM 0 H ASN A 88 2.419 5.888 -5.053 1.00 0.11 H new ATOM 0 HA ASN A 88 4.535 4.429 -3.616 1.00 0.13 H new ATOM 0 HB2 ASN A 88 5.741 4.703 -5.835 1.00 0.14 H new ATOM 0 HB3 ASN A 88 4.311 3.691 -5.875 1.00 0.14 H new ATOM 0 HD21 ASN A 88 3.427 5.520 -8.768 1.00 1.32 H new ATOM 0 HD22 ASN A 88 4.015 3.991 -8.109 1.00 1.32 H new ATOM 1331 N GLU A 89 6.397 6.321 -3.944 1.00 0.16 N ATOM 1332 CA GLU A 89 7.300 7.419 -3.594 1.00 0.19 C ATOM 1333 C GLU A 89 7.150 8.594 -4.564 1.00 0.18 C ATOM 1334 O GLU A 89 7.689 9.677 -4.329 1.00 0.24 O ATOM 1335 CB GLU A 89 8.750 6.918 -3.597 1.00 0.24 C ATOM 1336 CG GLU A 89 9.414 6.939 -4.967 1.00 0.27 C ATOM 1337 CD GLU A 89 8.751 6.001 -5.957 1.00 1.25 C ATOM 1338 OE1 GLU A 89 9.111 4.806 -5.974 1.00 1.94 O ATOM 1339 OE2 GLU A 89 7.875 6.461 -6.717 1.00 1.67 O ATOM 0 H GLU A 89 6.875 5.447 -4.163 1.00 0.16 H new ATOM 0 HA GLU A 89 7.037 7.771 -2.597 1.00 0.19 H new ATOM 0 HB2 GLU A 89 9.336 7.531 -2.912 1.00 0.24 H new ATOM 0 HB3 GLU A 89 8.771 5.899 -3.211 1.00 0.24 H new ATOM 0 HG2 GLU A 89 9.388 7.954 -5.362 1.00 0.27 H new ATOM 0 HG3 GLU A 89 10.464 6.665 -4.861 1.00 0.27 H new ATOM 1346 N SER A 90 6.416 8.373 -5.652 1.00 0.16 N ATOM 1347 CA SER A 90 6.201 9.408 -6.661 1.00 0.17 C ATOM 1348 C SER A 90 4.827 10.018 -6.494 1.00 0.13 C ATOM 1349 O SER A 90 4.316 10.707 -7.377 1.00 0.15 O ATOM 1350 CB SER A 90 6.358 8.838 -8.069 1.00 0.22 C ATOM 1351 OG SER A 90 5.525 7.710 -8.265 1.00 1.37 O ATOM 0 H SER A 90 5.959 7.485 -5.858 1.00 0.16 H new ATOM 0 HA SER A 90 6.954 10.184 -6.522 1.00 0.17 H new ATOM 0 HB2 SER A 90 6.113 9.605 -8.803 1.00 0.22 H new ATOM 0 HB3 SER A 90 7.398 8.558 -8.236 1.00 0.22 H new ATOM 0 HG SER A 90 4.815 7.706 -7.589 1.00 1.37 H new ATOM 1357 N LEU A 91 4.248 9.747 -5.342 1.00 0.10 N ATOM 1358 CA LEU A 91 2.940 10.256 -4.988 1.00 0.09 C ATOM 1359 C LEU A 91 1.873 9.874 -6.007 1.00 0.11 C ATOM 1360 O LEU A 91 0.851 10.549 -6.142 1.00 0.16 O ATOM 1361 CB LEU A 91 3.027 11.753 -4.794 1.00 0.09 C ATOM 1362 CG LEU A 91 3.693 12.189 -3.482 1.00 0.10 C ATOM 1363 CD1 LEU A 91 2.659 12.734 -2.512 1.00 0.14 C ATOM 1364 CD2 LEU A 91 4.476 11.046 -2.831 1.00 0.09 C ATOM 0 H LEU A 91 4.674 9.164 -4.622 1.00 0.10 H new ATOM 0 HA LEU A 91 2.629 9.793 -4.052 1.00 0.09 H new ATOM 0 HB2 LEU A 91 3.582 12.183 -5.628 1.00 0.09 H new ATOM 0 HB3 LEU A 91 2.021 12.170 -4.832 1.00 0.09 H new ATOM 0 HG LEU A 91 4.402 12.979 -3.728 1.00 0.10 H new ATOM 0 HD11 LEU A 91 3.151 13.038 -1.588 1.00 0.14 H new ATOM 0 HD12 LEU A 91 2.160 13.595 -2.957 1.00 0.14 H new ATOM 0 HD13 LEU A 91 1.922 11.961 -2.293 1.00 0.14 H new ATOM 0 HD21 LEU A 91 4.931 11.398 -1.905 1.00 0.09 H new ATOM 0 HD22 LEU A 91 3.799 10.220 -2.612 1.00 0.09 H new ATOM 0 HD23 LEU A 91 5.256 10.705 -3.512 1.00 0.09 H new ATOM 1376 N THR A 92 2.126 8.783 -6.721 1.00 0.12 N ATOM 1377 CA THR A 92 1.176 8.252 -7.691 1.00 0.14 C ATOM 1378 C THR A 92 0.359 7.154 -7.029 1.00 0.11 C ATOM 1379 O THR A 92 0.896 6.112 -6.653 1.00 0.11 O ATOM 1380 CB THR A 92 1.880 7.674 -8.931 1.00 0.18 C ATOM 1381 OG1 THR A 92 2.539 8.720 -9.656 1.00 0.23 O ATOM 1382 CG2 THR A 92 0.885 6.963 -9.840 1.00 0.20 C ATOM 0 H THR A 92 2.989 8.245 -6.645 1.00 0.12 H new ATOM 0 HA THR A 92 0.537 9.072 -8.020 1.00 0.14 H new ATOM 0 HB THR A 92 2.620 6.948 -8.594 1.00 0.18 H new ATOM 0 HG1 THR A 92 2.985 8.342 -10.442 1.00 0.23 H new ATOM 0 HG21 THR A 92 1.407 6.563 -10.709 1.00 0.20 H new ATOM 0 HG22 THR A 92 0.412 6.147 -9.294 1.00 0.20 H new ATOM 0 HG23 THR A 92 0.123 7.670 -10.168 1.00 0.20 H new ATOM 1390 N ALA A 93 -0.936 7.388 -6.883 1.00 0.11 N ATOM 1391 CA ALA A 93 -1.804 6.422 -6.228 1.00 0.09 C ATOM 1392 C ALA A 93 -2.768 5.751 -7.176 1.00 0.09 C ATOM 1393 O ALA A 93 -3.077 6.259 -8.254 1.00 0.10 O ATOM 1394 CB ALA A 93 -2.600 7.094 -5.122 1.00 0.10 C ATOM 0 H ALA A 93 -1.407 8.233 -7.207 1.00 0.11 H new ATOM 0 HA ALA A 93 -1.147 5.653 -5.821 1.00 0.09 H new ATOM 0 HB1 ALA A 93 -3.245 6.359 -4.640 1.00 0.10 H new ATOM 0 HB2 ALA A 93 -1.916 7.514 -4.385 1.00 0.10 H new ATOM 0 HB3 ALA A 93 -3.211 7.891 -5.546 1.00 0.10 H new ATOM 1400 N VAL A 94 -3.223 4.586 -6.752 1.00 0.09 N ATOM 1401 CA VAL A 94 -4.205 3.825 -7.503 1.00 0.10 C ATOM 1402 C VAL A 94 -5.152 3.118 -6.561 1.00 0.09 C ATOM 1403 O VAL A 94 -4.742 2.455 -5.608 1.00 0.10 O ATOM 1404 CB VAL A 94 -3.576 2.800 -8.466 1.00 0.12 C ATOM 1405 CG1 VAL A 94 -2.851 1.706 -7.697 1.00 0.15 C ATOM 1406 CG2 VAL A 94 -4.653 2.200 -9.363 1.00 0.14 C ATOM 0 H VAL A 94 -2.925 4.143 -5.883 1.00 0.09 H new ATOM 0 HA VAL A 94 -4.748 4.546 -8.114 1.00 0.10 H new ATOM 0 HB VAL A 94 -2.843 3.314 -9.089 1.00 0.12 H new ATOM 0 HG11 VAL A 94 -2.416 0.995 -8.399 1.00 0.15 H new ATOM 0 HG12 VAL A 94 -2.060 2.149 -7.092 1.00 0.15 H new ATOM 0 HG13 VAL A 94 -3.557 1.189 -7.048 1.00 0.15 H new ATOM 0 HG21 VAL A 94 -4.200 1.476 -10.041 1.00 0.14 H new ATOM 0 HG22 VAL A 94 -5.403 1.702 -8.748 1.00 0.14 H new ATOM 0 HG23 VAL A 94 -5.127 2.992 -9.942 1.00 0.14 H new ATOM 1416 N VAL A 95 -6.423 3.283 -6.844 1.00 0.09 N ATOM 1417 CA VAL A 95 -7.473 2.702 -6.043 1.00 0.09 C ATOM 1418 C VAL A 95 -8.118 1.513 -6.733 1.00 0.11 C ATOM 1419 O VAL A 95 -8.202 1.461 -7.957 1.00 0.12 O ATOM 1420 CB VAL A 95 -8.546 3.757 -5.770 1.00 0.09 C ATOM 1421 CG1 VAL A 95 -8.897 4.453 -7.074 1.00 0.10 C ATOM 1422 CG2 VAL A 95 -9.781 3.135 -5.132 1.00 0.09 C ATOM 0 H VAL A 95 -6.758 3.826 -7.640 1.00 0.09 H new ATOM 0 HA VAL A 95 -7.026 2.355 -5.111 1.00 0.09 H new ATOM 0 HB VAL A 95 -8.157 4.489 -5.063 1.00 0.09 H new ATOM 0 HG11 VAL A 95 -9.662 5.207 -6.889 1.00 0.10 H new ATOM 0 HG12 VAL A 95 -8.007 4.931 -7.482 1.00 0.10 H new ATOM 0 HG13 VAL A 95 -9.275 3.720 -7.787 1.00 0.10 H new ATOM 0 HG21 VAL A 95 -10.526 3.910 -4.950 1.00 0.09 H new ATOM 0 HG22 VAL A 95 -10.197 2.382 -5.802 1.00 0.09 H new ATOM 0 HG23 VAL A 95 -9.506 2.667 -4.187 1.00 0.09 H new ATOM 1432 N CYS A 96 -8.572 0.568 -5.930 1.00 0.11 N ATOM 1433 CA CYS A 96 -9.244 -0.614 -6.428 1.00 0.13 C ATOM 1434 C CYS A 96 -10.647 -0.675 -5.860 1.00 0.13 C ATOM 1435 O CYS A 96 -10.923 -0.107 -4.808 1.00 0.14 O ATOM 1436 CB CYS A 96 -8.458 -1.879 -6.068 1.00 0.14 C ATOM 1437 SG CYS A 96 -7.046 -2.204 -7.166 1.00 0.17 S ATOM 0 H CYS A 96 -8.484 0.600 -4.914 1.00 0.11 H new ATOM 0 HA CYS A 96 -9.302 -0.557 -7.515 1.00 0.13 H new ATOM 0 HB2 CYS A 96 -8.097 -1.792 -5.043 1.00 0.14 H new ATOM 0 HB3 CYS A 96 -9.133 -2.735 -6.096 1.00 0.14 H new ATOM 1442 N GLY A 97 -11.531 -1.340 -6.575 1.00 0.15 N ATOM 1443 CA GLY A 97 -12.898 -1.459 -6.132 1.00 0.16 C ATOM 1444 C GLY A 97 -13.190 -2.857 -5.660 1.00 0.16 C ATOM 1445 O GLY A 97 -14.313 -3.185 -5.276 1.00 0.17 O ATOM 0 H GLY A 97 -11.326 -1.803 -7.460 1.00 0.15 H new ATOM 0 HA2 GLY A 97 -13.085 -0.752 -5.324 1.00 0.16 H new ATOM 0 HA3 GLY A 97 -13.573 -1.198 -6.947 1.00 0.16 H new ATOM 1449 N LYS A 98 -12.154 -3.679 -5.696 1.00 0.16 N ATOM 1450 CA LYS A 98 -12.247 -5.063 -5.282 1.00 0.16 C ATOM 1451 C LYS A 98 -10.898 -5.557 -4.792 1.00 0.16 C ATOM 1452 O LYS A 98 -9.901 -5.484 -5.508 1.00 0.19 O ATOM 1453 CB LYS A 98 -12.722 -5.927 -6.447 1.00 0.20 C ATOM 1454 CG LYS A 98 -13.585 -7.104 -6.029 1.00 0.20 C ATOM 1455 CD LYS A 98 -12.877 -8.007 -5.029 1.00 0.21 C ATOM 1456 CE LYS A 98 -13.427 -7.805 -3.629 1.00 0.43 C ATOM 1457 NZ LYS A 98 -14.829 -8.291 -3.510 1.00 0.66 N ATOM 0 H LYS A 98 -11.225 -3.402 -6.014 1.00 0.16 H new ATOM 0 HA LYS A 98 -12.967 -5.135 -4.467 1.00 0.16 H new ATOM 0 HB2 LYS A 98 -13.286 -5.305 -7.142 1.00 0.20 H new ATOM 0 HB3 LYS A 98 -11.852 -6.301 -6.987 1.00 0.20 H new ATOM 0 HG2 LYS A 98 -14.512 -6.735 -5.591 1.00 0.20 H new ATOM 0 HG3 LYS A 98 -13.858 -7.684 -6.911 1.00 0.20 H new ATOM 0 HD2 LYS A 98 -12.999 -9.049 -5.325 1.00 0.21 H new ATOM 0 HD3 LYS A 98 -11.808 -7.797 -5.037 1.00 0.21 H new ATOM 0 HE2 LYS A 98 -12.798 -8.332 -2.912 1.00 0.43 H new ATOM 0 HE3 LYS A 98 -13.386 -6.747 -3.372 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 -15.034 -8.520 -2.516 1.00 0.66 H new ATOM 0 HZ2 LYS A 98 -15.482 -7.550 -3.837 1.00 0.66 H new ATOM 0 HZ3 LYS A 98 -14.952 -9.143 -4.094 1.00 0.66 H new ATOM 1471 N MET A 99 -10.867 -6.054 -3.566 1.00 0.17 N ATOM 1472 CA MET A 99 -9.640 -6.570 -2.997 1.00 0.20 C ATOM 1473 C MET A 99 -9.788 -8.061 -2.743 1.00 0.22 C ATOM 1474 O MET A 99 -10.505 -8.484 -1.837 1.00 0.23 O ATOM 1475 CB MET A 99 -9.292 -5.827 -1.712 1.00 0.22 C ATOM 1476 CG MET A 99 -7.800 -5.753 -1.462 1.00 0.27 C ATOM 1477 SD MET A 99 -7.349 -6.406 0.144 1.00 0.97 S ATOM 1478 CE MET A 99 -7.961 -8.063 -0.076 1.00 1.36 C ATOM 0 H MET A 99 -11.678 -6.110 -2.949 1.00 0.17 H new ATOM 0 HA MET A 99 -8.822 -6.413 -3.701 1.00 0.20 H new ATOM 0 HB2 MET A 99 -9.698 -4.817 -1.761 1.00 0.22 H new ATOM 0 HB3 MET A 99 -9.773 -6.324 -0.869 1.00 0.22 H new ATOM 0 HG2 MET A 99 -7.275 -6.309 -2.239 1.00 0.27 H new ATOM 0 HG3 MET A 99 -7.472 -4.716 -1.536 1.00 0.27 H new ATOM 0 HE1 MET A 99 -7.521 -8.716 0.677 1.00 1.36 H new ATOM 0 HE2 MET A 99 -9.046 -8.067 0.029 1.00 1.36 H new ATOM 0 HE3 MET A 99 -7.692 -8.421 -1.069 1.00 1.36 H new ATOM 1488 N LYS A 100 -9.105 -8.852 -3.559 1.00 0.25 N ATOM 1489 CA LYS A 100 -9.175 -10.304 -3.449 1.00 0.28 C ATOM 1490 C LYS A 100 -8.067 -10.860 -2.560 1.00 0.25 C ATOM 1491 O LYS A 100 -8.327 -11.350 -1.461 1.00 0.28 O ATOM 1492 CB LYS A 100 -9.101 -10.937 -4.839 1.00 0.34 C ATOM 1493 CG LYS A 100 -10.077 -10.324 -5.828 1.00 0.39 C ATOM 1494 CD LYS A 100 -9.947 -10.955 -7.205 1.00 0.47 C ATOM 1495 CE LYS A 100 -10.901 -10.316 -8.202 1.00 0.54 C ATOM 1496 NZ LYS A 100 -12.323 -10.488 -7.798 1.00 1.25 N ATOM 0 H LYS A 100 -8.496 -8.514 -4.304 1.00 0.25 H new ATOM 0 HA LYS A 100 -10.128 -10.556 -2.984 1.00 0.28 H new ATOM 0 HB2 LYS A 100 -8.087 -10.831 -5.226 1.00 0.34 H new ATOM 0 HB3 LYS A 100 -9.301 -12.005 -4.756 1.00 0.34 H new ATOM 0 HG2 LYS A 100 -11.096 -10.453 -5.463 1.00 0.39 H new ATOM 0 HG3 LYS A 100 -9.898 -9.251 -5.900 1.00 0.39 H new ATOM 0 HD2 LYS A 100 -8.922 -10.848 -7.560 1.00 0.47 H new ATOM 0 HD3 LYS A 100 -10.151 -12.024 -7.138 1.00 0.47 H new ATOM 0 HE2 LYS A 100 -10.675 -9.253 -8.291 1.00 0.54 H new ATOM 0 HE3 LYS A 100 -10.747 -10.758 -9.186 1.00 0.54 H new ATOM 0 HZ1 LYS A 100 -12.892 -10.744 -8.630 1.00 1.25 H new ATOM 0 HZ2 LYS A 100 -12.393 -11.242 -7.085 1.00 1.25 H new ATOM 0 HZ3 LYS A 100 -12.680 -9.598 -7.396 1.00 1.25 H new ATOM 1510 N GLY A 101 -6.829 -10.780 -3.040 1.00 0.25 N ATOM 1511 CA GLY A 101 -5.702 -11.289 -2.279 1.00 0.28 C ATOM 1512 C GLY A 101 -5.147 -10.269 -1.306 1.00 0.24 C ATOM 1513 O GLY A 101 -5.774 -9.969 -0.291 1.00 0.33 O ATOM 0 H GLY A 101 -6.586 -10.372 -3.943 1.00 0.25 H new ATOM 0 HA2 GLY A 101 -6.011 -12.178 -1.730 1.00 0.28 H new ATOM 0 HA3 GLY A 101 -4.914 -11.597 -2.966 1.00 0.28 H new ATOM 1517 N LYS A 102 -3.966 -9.739 -1.625 1.00 0.31 N ATOM 1518 CA LYS A 102 -3.303 -8.736 -0.789 1.00 0.31 C ATOM 1519 C LYS A 102 -3.476 -9.053 0.699 1.00 0.30 C ATOM 1520 O LYS A 102 -3.485 -10.218 1.099 1.00 0.61 O ATOM 1521 CB LYS A 102 -3.846 -7.330 -1.093 1.00 0.36 C ATOM 1522 CG LYS A 102 -4.814 -7.263 -2.264 1.00 0.70 C ATOM 1523 CD LYS A 102 -4.130 -6.876 -3.567 1.00 0.56 C ATOM 1524 CE LYS A 102 -3.356 -8.037 -4.161 1.00 1.01 C ATOM 1525 NZ LYS A 102 -2.932 -7.770 -5.563 1.00 2.08 N ATOM 0 H LYS A 102 -3.444 -9.990 -2.465 1.00 0.31 H new ATOM 0 HA LYS A 102 -2.239 -8.762 -1.024 1.00 0.31 H new ATOM 0 HB2 LYS A 102 -4.346 -6.948 -0.203 1.00 0.36 H new ATOM 0 HB3 LYS A 102 -3.005 -6.666 -1.295 1.00 0.36 H new ATOM 0 HG2 LYS A 102 -5.298 -8.232 -2.386 1.00 0.70 H new ATOM 0 HG3 LYS A 102 -5.599 -6.540 -2.041 1.00 0.70 H new ATOM 0 HD2 LYS A 102 -4.877 -6.533 -4.282 1.00 0.56 H new ATOM 0 HD3 LYS A 102 -3.453 -6.041 -3.388 1.00 0.56 H new ATOM 0 HE2 LYS A 102 -2.477 -8.237 -3.549 1.00 1.01 H new ATOM 0 HE3 LYS A 102 -3.973 -8.935 -4.134 1.00 1.01 H new ATOM 0 HZ1 LYS A 102 -2.481 -8.620 -5.957 1.00 2.08 H new ATOM 0 HZ2 LYS A 102 -3.764 -7.522 -6.136 1.00 2.08 H new ATOM 0 HZ3 LYS A 102 -2.254 -6.981 -5.577 1.00 2.08 H new ATOM 1539 N GLY A 103 -3.606 -8.007 1.511 1.00 0.37 N ATOM 1540 CA GLY A 103 -3.802 -8.176 2.939 1.00 0.38 C ATOM 1541 C GLY A 103 -4.813 -7.182 3.459 1.00 0.44 C ATOM 1542 O GLY A 103 -4.895 -6.063 2.955 1.00 0.49 O ATOM 0 H GLY A 103 -3.578 -7.036 1.200 1.00 0.37 H new ATOM 0 HA2 GLY A 103 -4.142 -9.191 3.147 1.00 0.38 H new ATOM 0 HA3 GLY A 103 -2.854 -8.044 3.460 1.00 0.38 H new ATOM 1546 N SER A 104 -5.578 -7.571 4.468 1.00 0.48 N ATOM 1547 CA SER A 104 -6.597 -6.690 5.014 1.00 0.56 C ATOM 1548 C SER A 104 -6.613 -6.702 6.533 1.00 0.49 C ATOM 1549 O SER A 104 -6.448 -7.747 7.164 1.00 0.39 O ATOM 1550 CB SER A 104 -7.964 -7.102 4.497 1.00 0.64 C ATOM 1551 OG SER A 104 -7.992 -7.132 3.080 1.00 1.20 O ATOM 0 H SER A 104 -5.513 -8.482 4.921 1.00 0.48 H new ATOM 0 HA SER A 104 -6.357 -5.677 4.689 1.00 0.56 H new ATOM 0 HB2 SER A 104 -8.222 -8.086 4.889 1.00 0.64 H new ATOM 0 HB3 SER A 104 -8.718 -6.406 4.863 1.00 0.64 H new ATOM 0 HG SER A 104 -7.285 -6.553 2.727 1.00 1.20 H new ATOM 1557 N CYS A 105 -6.816 -5.525 7.112 1.00 0.62 N ATOM 1558 CA CYS A 105 -6.891 -5.391 8.558 1.00 0.62 C ATOM 1559 C CYS A 105 -8.151 -6.078 9.061 1.00 0.51 C ATOM 1560 O CYS A 105 -8.872 -6.694 8.276 1.00 0.50 O ATOM 1561 CB CYS A 105 -6.866 -3.921 8.997 1.00 0.85 C ATOM 1562 SG CYS A 105 -5.398 -3.493 9.999 1.00 1.95 S ATOM 0 H CYS A 105 -6.931 -4.650 6.600 1.00 0.62 H new ATOM 0 HA CYS A 105 -6.013 -5.869 8.994 1.00 0.62 H new ATOM 0 HB2 CYS A 105 -6.893 -3.284 8.113 1.00 0.85 H new ATOM 0 HB3 CYS A 105 -7.766 -3.705 9.573 1.00 0.85 H new ATOM 1567 N THR A 106 -8.406 -5.986 10.364 1.00 0.50 N ATOM 1568 CA THR A 106 -9.579 -6.618 10.972 1.00 0.46 C ATOM 1569 C THR A 106 -9.400 -8.131 11.004 1.00 0.60 C ATOM 1570 O THR A 106 -10.235 -8.858 11.541 1.00 0.95 O ATOM 1571 CB THR A 106 -10.899 -6.288 10.230 1.00 0.59 C ATOM 1572 OG1 THR A 106 -11.122 -7.234 9.178 1.00 1.21 O ATOM 1573 CG2 THR A 106 -10.880 -4.880 9.648 1.00 0.57 C ATOM 0 H THR A 106 -7.815 -5.479 11.023 1.00 0.50 H new ATOM 0 HA THR A 106 -9.656 -6.215 11.982 1.00 0.46 H new ATOM 0 HB THR A 106 -11.708 -6.346 10.958 1.00 0.59 H new ATOM 0 HG1 THR A 106 -10.516 -7.043 8.432 1.00 1.21 H new ATOM 0 HG21 THR A 106 -11.822 -4.685 9.136 1.00 0.57 H new ATOM 0 HG22 THR A 106 -10.748 -4.156 10.452 1.00 0.57 H new ATOM 0 HG23 THR A 106 -10.056 -4.790 8.940 1.00 0.57 H new ATOM 1581 N ASP A 107 -8.298 -8.594 10.421 1.00 0.51 N ATOM 1582 CA ASP A 107 -7.990 -10.016 10.371 1.00 0.75 C ATOM 1583 C ASP A 107 -6.507 -10.261 10.636 1.00 0.84 C ATOM 1584 O ASP A 107 -6.144 -11.145 11.413 1.00 1.21 O ATOM 1585 CB ASP A 107 -8.381 -10.597 9.012 1.00 0.89 C ATOM 1586 CG ASP A 107 -9.873 -10.517 8.758 1.00 1.46 C ATOM 1587 OD1 ASP A 107 -10.610 -11.384 9.273 1.00 1.50 O ATOM 1588 OD2 ASP A 107 -10.305 -9.588 8.042 1.00 2.19 O ATOM 0 H ASP A 107 -7.600 -7.999 9.974 1.00 0.51 H new ATOM 0 HA ASP A 107 -8.567 -10.515 11.150 1.00 0.75 H new ATOM 0 HB2 ASP A 107 -7.852 -10.061 8.225 1.00 0.89 H new ATOM 0 HB3 ASP A 107 -8.061 -11.638 8.959 1.00 0.89 H new ATOM 1593 N GLY A 108 -5.652 -9.473 9.987 1.00 0.62 N ATOM 1594 CA GLY A 108 -4.220 -9.622 10.176 1.00 0.72 C ATOM 1595 C GLY A 108 -3.417 -9.291 8.931 1.00 0.58 C ATOM 1596 O GLY A 108 -2.859 -10.184 8.292 1.00 0.67 O ATOM 0 H GLY A 108 -5.925 -8.737 9.336 1.00 0.62 H new ATOM 0 HA2 GLY A 108 -3.898 -8.974 10.992 1.00 0.72 H new ATOM 0 HA3 GLY A 108 -4.004 -10.647 10.478 1.00 0.72 H new ATOM 1600 N GLU A 109 -3.356 -8.007 8.585 1.00 0.45 N ATOM 1601 CA GLU A 109 -2.607 -7.563 7.415 1.00 0.35 C ATOM 1602 C GLU A 109 -1.135 -7.943 7.527 1.00 0.36 C ATOM 1603 O GLU A 109 -0.616 -8.144 8.625 1.00 0.52 O ATOM 1604 CB GLU A 109 -2.722 -6.052 7.259 1.00 0.39 C ATOM 1605 CG GLU A 109 -3.480 -5.623 6.021 1.00 1.51 C ATOM 1606 CD GLU A 109 -3.228 -4.174 5.652 1.00 2.07 C ATOM 1607 OE1 GLU A 109 -2.717 -3.425 6.511 1.00 2.76 O ATOM 1608 OE2 GLU A 109 -3.542 -3.788 4.507 1.00 2.32 O ATOM 0 H GLU A 109 -3.817 -7.257 9.099 1.00 0.45 H new ATOM 0 HA GLU A 109 -3.032 -8.058 6.542 1.00 0.35 H new ATOM 0 HB2 GLU A 109 -3.219 -5.642 8.138 1.00 0.39 H new ATOM 0 HB3 GLU A 109 -1.721 -5.622 7.228 1.00 0.39 H new ATOM 0 HG2 GLU A 109 -3.193 -6.261 5.185 1.00 1.51 H new ATOM 0 HG3 GLU A 109 -4.547 -5.772 6.184 1.00 1.51 H new ATOM 1615 N GLU A 110 -0.468 -8.038 6.382 1.00 0.33 N ATOM 1616 CA GLU A 110 0.948 -8.374 6.346 1.00 0.36 C ATOM 1617 C GLU A 110 1.618 -7.738 5.135 1.00 0.30 C ATOM 1618 O GLU A 110 2.602 -7.012 5.276 1.00 0.29 O ATOM 1619 CB GLU A 110 1.150 -9.886 6.343 1.00 0.45 C ATOM 1620 CG GLU A 110 0.461 -10.569 5.191 1.00 1.00 C ATOM 1621 CD GLU A 110 0.572 -12.081 5.247 1.00 1.22 C ATOM 1622 OE1 GLU A 110 -0.276 -12.714 5.910 1.00 1.31 O ATOM 1623 OE2 GLU A 110 1.505 -12.631 4.625 1.00 1.55 O ATOM 0 H GLU A 110 -0.888 -7.886 5.465 1.00 0.33 H new ATOM 0 HA GLU A 110 1.415 -7.974 7.246 1.00 0.36 H new ATOM 0 HB2 GLU A 110 2.217 -10.104 6.302 1.00 0.45 H new ATOM 0 HB3 GLU A 110 0.776 -10.299 7.280 1.00 0.45 H new ATOM 0 HG2 GLU A 110 -0.592 -10.287 5.186 1.00 1.00 H new ATOM 0 HG3 GLU A 110 0.891 -10.213 4.255 1.00 1.00 H new ATOM 1630 N ILE A 111 1.074 -8.002 3.948 1.00 0.27 N ATOM 1631 CA ILE A 111 1.620 -7.446 2.715 1.00 0.23 C ATOM 1632 C ILE A 111 0.573 -7.373 1.612 1.00 0.24 C ATOM 1633 O ILE A 111 -0.568 -7.806 1.784 1.00 0.28 O ATOM 1634 CB ILE A 111 2.831 -8.237 2.198 1.00 0.25 C ATOM 1635 CG1 ILE A 111 2.517 -9.725 2.130 1.00 0.31 C ATOM 1636 CG2 ILE A 111 4.053 -7.973 3.059 1.00 0.26 C ATOM 1637 CD1 ILE A 111 2.062 -10.169 0.773 1.00 0.34 C ATOM 0 H ILE A 111 0.256 -8.597 3.816 1.00 0.27 H new ATOM 0 HA ILE A 111 1.945 -6.438 2.971 1.00 0.23 H new ATOM 0 HB ILE A 111 3.054 -7.897 1.187 1.00 0.25 H new ATOM 0 HG12 ILE A 111 3.405 -10.291 2.412 1.00 0.31 H new ATOM 0 HG13 ILE A 111 1.744 -9.961 2.861 1.00 0.31 H new ATOM 0 HG21 ILE A 111 4.899 -8.543 2.675 1.00 0.26 H new ATOM 0 HG22 ILE A 111 4.292 -6.910 3.036 1.00 0.26 H new ATOM 0 HG23 ILE A 111 3.847 -8.276 4.086 1.00 0.26 H new ATOM 0 HD11 ILE A 111 1.854 -11.239 0.791 1.00 0.34 H new ATOM 0 HD12 ILE A 111 1.157 -9.628 0.498 1.00 0.34 H new ATOM 0 HD13 ILE A 111 2.844 -9.963 0.042 1.00 0.34 H new ATOM 1649 N PHE A 112 0.980 -6.815 0.478 1.00 0.24 N ATOM 1650 CA PHE A 112 0.095 -6.640 -0.666 1.00 0.29 C ATOM 1651 C PHE A 112 0.450 -7.589 -1.827 1.00 0.36 C ATOM 1652 O PHE A 112 1.070 -7.190 -2.814 1.00 0.41 O ATOM 1653 CB PHE A 112 0.139 -5.146 -1.071 1.00 0.31 C ATOM 1654 CG PHE A 112 -0.157 -4.812 -2.513 1.00 0.39 C ATOM 1655 CD1 PHE A 112 -1.191 -5.421 -3.193 1.00 0.59 C ATOM 1656 CD2 PHE A 112 0.605 -3.863 -3.178 1.00 0.45 C ATOM 1657 CE1 PHE A 112 -1.460 -5.097 -4.510 1.00 0.72 C ATOM 1658 CE2 PHE A 112 0.337 -3.534 -4.492 1.00 0.56 C ATOM 1659 CZ PHE A 112 -0.696 -4.153 -5.159 1.00 0.66 C ATOM 0 H PHE A 112 1.929 -6.473 0.326 1.00 0.24 H new ATOM 0 HA PHE A 112 -0.926 -6.910 -0.395 1.00 0.29 H new ATOM 0 HB2 PHE A 112 -0.573 -4.606 -0.446 1.00 0.31 H new ATOM 0 HB3 PHE A 112 1.130 -4.760 -0.832 1.00 0.31 H new ATOM 0 HD1 PHE A 112 -1.798 -6.160 -2.691 1.00 0.59 H new ATOM 0 HD2 PHE A 112 1.418 -3.375 -2.662 1.00 0.45 H new ATOM 0 HE1 PHE A 112 -2.271 -5.585 -5.031 1.00 0.72 H new ATOM 0 HE2 PHE A 112 0.938 -2.791 -4.996 1.00 0.56 H new ATOM 0 HZ PHE A 112 -0.906 -3.899 -6.187 1.00 0.66 H new ATOM 1669 N ARG A 113 0.086 -8.869 -1.679 1.00 0.42 N ATOM 1670 CA ARG A 113 0.317 -9.859 -2.727 1.00 0.50 C ATOM 1671 C ARG A 113 -0.998 -10.530 -3.122 1.00 0.93 C ATOM 1672 O ARG A 113 -1.783 -10.921 -2.259 1.00 1.16 O ATOM 1673 CB ARG A 113 1.311 -10.921 -2.260 1.00 0.46 C ATOM 1674 CG ARG A 113 0.698 -11.980 -1.362 1.00 0.76 C ATOM 1675 CD ARG A 113 1.738 -12.981 -0.909 1.00 1.11 C ATOM 1676 NE ARG A 113 1.138 -14.181 -0.335 1.00 1.60 N ATOM 1677 CZ ARG A 113 1.838 -15.146 0.254 1.00 2.10 C ATOM 1678 NH1 ARG A 113 3.157 -15.046 0.357 1.00 2.30 N ATOM 1679 NH2 ARG A 113 1.219 -16.212 0.744 1.00 2.76 N ATOM 0 H ARG A 113 -0.368 -9.238 -0.844 1.00 0.42 H new ATOM 0 HA ARG A 113 0.733 -9.343 -3.592 1.00 0.50 H new ATOM 0 HB2 ARG A 113 1.747 -11.406 -3.133 1.00 0.46 H new ATOM 0 HB3 ARG A 113 2.126 -10.433 -1.726 1.00 0.46 H new ATOM 0 HG2 ARG A 113 0.244 -11.505 -0.493 1.00 0.76 H new ATOM 0 HG3 ARG A 113 -0.099 -12.496 -1.896 1.00 0.76 H new ATOM 0 HD2 ARG A 113 2.364 -13.260 -1.757 1.00 1.11 H new ATOM 0 HD3 ARG A 113 2.391 -12.515 -0.171 1.00 1.11 H new ATOM 0 HE ARG A 113 0.125 -14.285 -0.389 1.00 1.60 H new ATOM 0 HH11 ARG A 113 3.637 -14.227 -0.016 1.00 2.30 H new ATOM 0 HH12 ARG A 113 3.691 -15.788 0.809 1.00 2.30 H new ATOM 0 HH21 ARG A 113 0.205 -16.292 0.669 1.00 2.76 H new ATOM 0 HH22 ARG A 113 1.757 -16.952 1.196 1.00 2.76 H new ATOM 1693 N GLY A 114 -1.238 -10.669 -4.422 1.00 1.20 N ATOM 1694 CA GLY A 114 -2.464 -11.304 -4.875 1.00 1.68 C ATOM 1695 C GLY A 114 -3.032 -10.664 -6.124 1.00 0.77 C ATOM 1696 O GLY A 114 -2.333 -10.521 -7.128 1.00 0.38 O ATOM 0 H GLY A 114 -0.612 -10.357 -5.165 1.00 1.20 H new ATOM 0 HA2 GLY A 114 -2.271 -12.359 -5.069 1.00 1.68 H new ATOM 0 HA3 GLY A 114 -3.207 -11.257 -4.079 1.00 1.68 H new ATOM 1700 N ASN A 115 -4.303 -10.273 -6.059 1.00 0.78 N ATOM 1701 CA ASN A 115 -4.969 -9.649 -7.197 1.00 0.50 C ATOM 1702 C ASN A 115 -6.148 -8.786 -6.763 1.00 0.37 C ATOM 1703 O ASN A 115 -6.890 -9.137 -5.848 1.00 0.44 O ATOM 1704 CB ASN A 115 -5.453 -10.721 -8.177 1.00 1.43 C ATOM 1705 CG ASN A 115 -4.362 -11.190 -9.121 1.00 1.80 C ATOM 1706 OD1 ASN A 115 -3.485 -10.275 -9.521 1.00 2.12 O flip ATOM 1707 ND2 ASN A 115 -4.311 -12.363 -9.493 1.00 2.44 N flip ATOM 0 H ASN A 115 -4.890 -10.378 -5.232 1.00 0.78 H new ATOM 0 HA ASN A 115 -4.240 -9.002 -7.686 1.00 0.50 H new ATOM 0 HB2 ASN A 115 -5.833 -11.575 -7.616 1.00 1.43 H new ATOM 0 HB3 ASN A 115 -6.285 -10.326 -8.759 1.00 1.43 H new ATOM 0 HD21 ASN A 115 -5.004 -13.034 -9.162 1.00 2.44 H new ATOM 0 HD22 ASN A 115 -3.575 -12.664 -10.132 1.00 2.44 H new ATOM 1714 N ASP A 116 -6.302 -7.646 -7.430 1.00 0.38 N ATOM 1715 CA ASP A 116 -7.397 -6.725 -7.152 1.00 0.28 C ATOM 1716 C ASP A 116 -8.207 -6.480 -8.421 1.00 0.29 C ATOM 1717 O ASP A 116 -7.729 -6.734 -9.527 1.00 0.40 O ATOM 1718 CB ASP A 116 -6.868 -5.394 -6.611 1.00 0.23 C ATOM 1719 CG ASP A 116 -5.432 -5.131 -7.019 1.00 0.26 C ATOM 1720 OD1 ASP A 116 -5.218 -4.609 -8.133 1.00 0.44 O ATOM 1721 OD2 ASP A 116 -4.521 -5.450 -6.227 1.00 0.61 O ATOM 0 H ASP A 116 -5.676 -7.337 -8.173 1.00 0.38 H new ATOM 0 HA ASP A 116 -8.038 -7.176 -6.394 1.00 0.28 H new ATOM 0 HB2 ASP A 116 -7.499 -4.582 -6.972 1.00 0.23 H new ATOM 0 HB3 ASP A 116 -6.939 -5.394 -5.523 1.00 0.23 H new ATOM 1726 N ALA A 117 -9.429 -5.988 -8.259 1.00 0.25 N ATOM 1727 CA ALA A 117 -10.299 -5.717 -9.398 1.00 0.27 C ATOM 1728 C ALA A 117 -10.928 -4.345 -9.298 1.00 0.24 C ATOM 1729 O ALA A 117 -10.895 -3.708 -8.245 1.00 0.21 O ATOM 1730 CB ALA A 117 -11.393 -6.769 -9.489 1.00 0.30 C ATOM 0 H ALA A 117 -9.840 -5.769 -7.352 1.00 0.25 H new ATOM 0 HA ALA A 117 -9.684 -5.751 -10.297 1.00 0.27 H new ATOM 0 HB1 ALA A 117 -12.034 -6.554 -10.344 1.00 0.30 H new ATOM 0 HB2 ALA A 117 -10.942 -7.753 -9.613 1.00 0.30 H new ATOM 0 HB3 ALA A 117 -11.988 -6.755 -8.576 1.00 0.30 H new ATOM 1736 N GLU A 118 -11.505 -3.896 -10.406 1.00 0.28 N ATOM 1737 CA GLU A 118 -12.163 -2.607 -10.448 1.00 0.28 C ATOM 1738 C GLU A 118 -11.246 -1.506 -9.923 1.00 0.23 C ATOM 1739 O GLU A 118 -11.581 -0.830 -8.955 1.00 0.21 O ATOM 1740 CB GLU A 118 -13.435 -2.676 -9.602 1.00 0.30 C ATOM 1741 CG GLU A 118 -14.493 -3.613 -10.162 1.00 0.35 C ATOM 1742 CD GLU A 118 -14.888 -3.265 -11.584 1.00 1.06 C ATOM 1743 OE1 GLU A 118 -15.767 -2.395 -11.760 1.00 0.97 O ATOM 1744 OE2 GLU A 118 -14.319 -3.861 -12.522 1.00 1.88 O ATOM 0 H GLU A 118 -11.528 -4.411 -11.286 1.00 0.28 H new ATOM 0 HA GLU A 118 -12.413 -2.368 -11.482 1.00 0.28 H new ATOM 0 HB2 GLU A 118 -13.173 -2.999 -8.594 1.00 0.30 H new ATOM 0 HB3 GLU A 118 -13.858 -1.675 -9.516 1.00 0.30 H new ATOM 0 HG2 GLU A 118 -14.118 -4.636 -10.133 1.00 0.35 H new ATOM 0 HG3 GLU A 118 -15.377 -3.579 -9.525 1.00 0.35 H new ATOM 1751 N CYS A 119 -10.113 -1.282 -10.588 1.00 0.22 N ATOM 1752 CA CYS A 119 -9.174 -0.261 -10.119 1.00 0.18 C ATOM 1753 C CYS A 119 -8.925 0.832 -11.147 1.00 0.18 C ATOM 1754 O CYS A 119 -8.925 0.598 -12.356 1.00 0.21 O ATOM 1755 CB CYS A 119 -7.825 -0.878 -9.750 1.00 0.17 C ATOM 1756 SG CYS A 119 -7.921 -2.514 -8.966 1.00 0.18 S ATOM 0 H CYS A 119 -9.827 -1.779 -11.432 1.00 0.22 H new ATOM 0 HA CYS A 119 -9.645 0.183 -9.242 1.00 0.18 H new ATOM 0 HB2 CYS A 119 -7.220 -0.959 -10.653 1.00 0.17 H new ATOM 0 HB3 CYS A 119 -7.303 -0.198 -9.076 1.00 0.17 H new ATOM 1761 N ARG A 120 -8.712 2.035 -10.624 1.00 0.16 N ATOM 1762 CA ARG A 120 -8.440 3.211 -11.421 1.00 0.17 C ATOM 1763 C ARG A 120 -7.363 4.057 -10.740 1.00 0.15 C ATOM 1764 O ARG A 120 -7.120 3.903 -9.545 1.00 0.15 O ATOM 1765 CB ARG A 120 -9.722 4.013 -11.576 1.00 0.18 C ATOM 1766 CG ARG A 120 -10.011 4.914 -10.399 1.00 0.27 C ATOM 1767 CD ARG A 120 -9.887 6.371 -10.792 1.00 0.39 C ATOM 1768 NE ARG A 120 -11.053 6.834 -11.540 1.00 0.70 N ATOM 1769 CZ ARG A 120 -11.232 8.094 -11.923 1.00 0.89 C ATOM 1770 NH1 ARG A 120 -10.317 9.012 -11.644 1.00 0.82 N ATOM 1771 NH2 ARG A 120 -12.327 8.437 -12.588 1.00 1.42 N ATOM 0 H ARG A 120 -8.725 2.216 -9.620 1.00 0.16 H new ATOM 0 HA ARG A 120 -8.079 2.916 -12.406 1.00 0.17 H new ATOM 0 HB2 ARG A 120 -9.656 4.618 -12.480 1.00 0.18 H new ATOM 0 HB3 ARG A 120 -10.557 3.326 -11.712 1.00 0.18 H new ATOM 0 HG2 ARG A 120 -11.016 4.718 -10.024 1.00 0.27 H new ATOM 0 HG3 ARG A 120 -9.319 4.692 -9.587 1.00 0.27 H new ATOM 0 HD2 ARG A 120 -9.765 6.980 -9.896 1.00 0.39 H new ATOM 0 HD3 ARG A 120 -8.990 6.509 -11.396 1.00 0.39 H new ATOM 0 HE ARG A 120 -11.771 6.151 -11.782 1.00 0.70 H new ATOM 0 HH11 ARG A 120 -9.473 8.752 -11.134 1.00 0.82 H new ATOM 0 HH12 ARG A 120 -10.457 9.978 -11.939 1.00 0.82 H new ATOM 0 HH21 ARG A 120 -13.033 7.734 -12.806 1.00 1.42 H new ATOM 0 HH22 ARG A 120 -12.463 9.404 -12.881 1.00 1.42 H new ATOM 1785 N PRO A 121 -6.706 4.964 -11.480 1.00 0.14 N ATOM 1786 CA PRO A 121 -5.658 5.820 -10.922 1.00 0.13 C ATOM 1787 C PRO A 121 -6.220 6.892 -9.997 1.00 0.12 C ATOM 1788 O PRO A 121 -7.094 7.667 -10.387 1.00 0.14 O ATOM 1789 CB PRO A 121 -5.035 6.451 -12.158 1.00 0.15 C ATOM 1790 CG PRO A 121 -6.156 6.508 -13.124 1.00 0.38 C ATOM 1791 CD PRO A 121 -6.916 5.232 -12.912 1.00 0.19 C ATOM 0 HA PRO A 121 -4.951 5.262 -10.308 1.00 0.13 H new ATOM 0 HB2 PRO A 121 -4.639 7.444 -11.945 1.00 0.15 H new ATOM 0 HB3 PRO A 121 -4.207 5.853 -12.539 1.00 0.15 H new ATOM 0 HG2 PRO A 121 -6.788 7.378 -12.945 1.00 0.38 H new ATOM 0 HG3 PRO A 121 -5.791 6.585 -14.148 1.00 0.38 H new ATOM 0 HD2 PRO A 121 -7.973 5.346 -13.152 1.00 0.19 H new ATOM 0 HD3 PRO A 121 -6.533 4.424 -13.536 1.00 0.19 H new ATOM 1799 N PHE A 122 -5.708 6.932 -8.775 1.00 0.10 N ATOM 1800 CA PHE A 122 -6.163 7.896 -7.782 1.00 0.10 C ATOM 1801 C PHE A 122 -5.081 8.916 -7.455 1.00 0.11 C ATOM 1802 O PHE A 122 -3.897 8.588 -7.411 1.00 0.12 O ATOM 1803 CB PHE A 122 -6.581 7.164 -6.507 1.00 0.09 C ATOM 1804 CG PHE A 122 -7.976 7.492 -6.039 1.00 0.10 C ATOM 1805 CD1 PHE A 122 -9.008 7.725 -6.940 1.00 0.11 C ATOM 1806 CD2 PHE A 122 -8.250 7.565 -4.690 1.00 0.11 C ATOM 1807 CE1 PHE A 122 -10.281 8.026 -6.493 1.00 0.13 C ATOM 1808 CE2 PHE A 122 -9.516 7.865 -4.234 1.00 0.13 C ATOM 1809 CZ PHE A 122 -10.535 8.095 -5.138 1.00 0.13 C ATOM 0 H PHE A 122 -4.974 6.305 -8.446 1.00 0.10 H new ATOM 0 HA PHE A 122 -7.016 8.431 -8.200 1.00 0.10 H new ATOM 0 HB2 PHE A 122 -6.510 6.090 -6.677 1.00 0.09 H new ATOM 0 HB3 PHE A 122 -5.876 7.408 -5.713 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -8.813 7.670 -8.001 1.00 0.11 H new ATOM 0 HD2 PHE A 122 -7.459 7.384 -3.978 1.00 0.11 H new ATOM 0 HE1 PHE A 122 -11.075 8.207 -7.202 1.00 0.13 H new ATOM 0 HE2 PHE A 122 -9.711 7.920 -3.173 1.00 0.13 H new ATOM 0 HZ PHE A 122 -11.529 8.328 -4.785 1.00 0.13 H new ATOM 1819 N THR A 123 -5.498 10.158 -7.234 1.00 0.13 N ATOM 1820 CA THR A 123 -4.566 11.219 -6.891 1.00 0.16 C ATOM 1821 C THR A 123 -5.017 11.955 -5.635 1.00 0.17 C ATOM 1822 O THR A 123 -5.972 12.732 -5.663 1.00 0.19 O ATOM 1823 CB THR A 123 -4.412 12.227 -8.043 1.00 0.19 C ATOM 1824 OG1 THR A 123 -5.685 12.785 -8.387 1.00 0.21 O ATOM 1825 CG2 THR A 123 -3.801 11.555 -9.257 1.00 0.19 C ATOM 0 H THR A 123 -6.473 10.452 -7.287 1.00 0.13 H new ATOM 0 HA THR A 123 -3.600 10.748 -6.706 1.00 0.16 H new ATOM 0 HB THR A 123 -3.750 13.028 -7.713 1.00 0.19 H new ATOM 0 HG1 THR A 123 -6.202 12.949 -7.571 1.00 0.21 H new ATOM 0 HG21 THR A 123 -3.699 12.282 -10.063 1.00 0.19 H new ATOM 0 HG22 THR A 123 -2.819 11.160 -8.998 1.00 0.19 H new ATOM 0 HG23 THR A 123 -4.445 10.739 -9.584 1.00 0.19 H new ATOM 1833 N GLY A 124 -4.319 11.702 -4.534 1.00 0.16 N ATOM 1834 CA GLY A 124 -4.644 12.345 -3.276 1.00 0.17 C ATOM 1835 C GLY A 124 -4.376 13.837 -3.297 1.00 0.24 C ATOM 1836 O GLY A 124 -5.089 14.578 -2.587 1.00 1.05 O ATOM 1837 OXT GLY A 124 -3.454 14.265 -4.022 1.00 1.20 O ATOM 0 H GLY A 124 -3.529 11.059 -4.491 1.00 0.16 H new ATOM 0 HA2 GLY A 124 -5.695 12.172 -3.045 1.00 0.17 H new ATOM 0 HA3 GLY A 124 -4.062 11.886 -2.477 1.00 0.17 H new TER 1841 GLY A 124