USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 899 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 95 THR OG1 : rot -169:sc= 0.207 USER MOD Set 1.2: A 128 ASN : amide:sc= -0.662 K(o=-0.46,f=-4.6!) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 35 ASN : amide:sc= -0.0434 K(o=-0.043,f=-1.1) USER MOD Set 3.1: A 11 HIS : no HE2:sc= 0.181 K(o=2.8,f=-11!) USER MOD Set 3.2: A 54 ASN : amide:sc= 0.682 K(o=2.8,f=1.3) USER MOD Set 3.3: A 93 HIS :FLIP no HD1:sc= -0.0897 F(o=1.6,f=2.8) USER MOD Set 3.4: A 123 TYR OH : rot -144:sc= 2.01 USER MOD Set 4.1: A 1 GLN : amide:sc= 0 K(o=0.26,f=-0.94) USER MOD Set 4.2: A 63 THR OG1 : rot -160:sc= 0.257 USER MOD Single : A 1 GLN N :NH3+ 178:sc= 1.14 (180deg=1.07) USER MOD Single : A 2 ASN : amide:sc= -0.654 K(o=-0.65,f=-3.9!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 110:sc=-0.00313 USER MOD Single : A 12 ASN : amide:sc= 0.169 K(o=0.17,f=-4.9!) USER MOD Single : A 17 GLN : amide:sc= 0.893 K(o=0.89,f=-0.15) USER MOD Single : A 23 MET CE :methyl 158:sc= -0.0141 (180deg=-0.0862) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.46 X(o=-0.46,f=0) USER MOD Single : A 34 GLN : amide:sc= 0.761 K(o=0.76,f=-0.093) USER MOD Single : A 36 TYR OH : rot 165:sc= -0.386 USER MOD Single : A 38 ASN : amide:sc= -0.0256 K(o=-0.026,f=-0.59) USER MOD Single : A 39 SER OG : rot -2:sc= 1 USER MOD Single : A 45 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.74) USER MOD Single : A 57 LYS NZ :NH3+ -109:sc= 0.0128 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.7!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.133 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0195 X(o=-0.019,f=0.029) USER MOD Single : A 80 TYR OH : rot 69:sc= 0.105 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0728 USER MOD Single : A 83 ASN : amide:sc= 0.172 K(o=0.17,f=-2.1!) USER MOD Single : A 84 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.2!) USER MOD Single : A 94 TYR OH : rot 90:sc= 0.672 USER MOD Single : A 96 GLN : amide:sc= -0.0997 K(o=-0.1,f=-2.1!) USER MOD Single : A 101 ASN : amide:sc= 0.58 K(o=0.58,f=-0.017) USER MOD Single : A 102 SER OG : rot 27:sc= 0.391 USER MOD Single : A 120 SER OG : rot -98:sc= 1.18 USER MOD Single : A 122 ASN : amide:sc= 0.157 X(o=0.16,f=-0.1) USER MOD Single : A 132 GLN : amide:sc= 0.752 K(o=0.75,f=-4.8!) USER MOD Single : A 135 TYR OH : rot 169:sc= 0.964 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -7.019 9.642 5.686 1.00 1.90 N ATOM 2 CA GLN A 1 -6.523 9.283 4.352 1.00 1.51 C ATOM 3 C GLN A 1 -5.059 8.810 4.404 1.00 1.38 C ATOM 4 O GLN A 1 -4.477 8.510 3.360 1.00 1.46 O ATOM 5 CB GLN A 1 -6.748 10.389 3.313 1.00 1.54 C ATOM 6 CG GLN A 1 -8.234 10.595 2.984 1.00 2.53 C ATOM 7 CD GLN A 1 -8.470 11.634 1.896 1.00 3.16 C ATOM 8 OE1 GLN A 1 -7.540 12.255 1.394 1.00 3.49 O ATOM 9 NE2 GLN A 1 -9.724 11.854 1.527 1.00 4.16 N ATOM 0 H1 GLN A 1 -7.997 9.988 5.611 1.00 1.90 H new ATOM 0 H2 GLN A 1 -6.994 8.805 6.302 1.00 1.90 H new ATOM 0 H3 GLN A 1 -6.418 10.388 6.091 1.00 1.90 H new ATOM 0 HA GLN A 1 -7.122 8.438 4.011 1.00 1.51 H new ATOM 0 HB2 GLN A 1 -6.329 11.324 3.686 1.00 1.54 H new ATOM 0 HB3 GLN A 1 -6.208 10.140 2.399 1.00 1.54 H new ATOM 0 HG2 GLN A 1 -8.665 9.645 2.669 1.00 2.53 H new ATOM 0 HG3 GLN A 1 -8.761 10.900 3.888 1.00 2.53 H new ATOM 0 HE21 GLN A 1 -10.483 11.326 1.958 1.00 4.16 H new ATOM 0 HE22 GLN A 1 -9.930 12.552 0.812 1.00 4.16 H new ATOM 20 N ASN A 2 -4.433 8.710 5.579 1.00 1.44 N ATOM 21 CA ASN A 2 -3.066 8.219 5.706 1.00 1.53 C ATOM 22 C ASN A 2 -2.929 7.225 6.861 1.00 1.45 C ATOM 23 O ASN A 2 -1.807 6.892 7.235 1.00 2.14 O ATOM 24 CB ASN A 2 -2.097 9.408 5.831 1.00 2.06 C ATOM 25 CG ASN A 2 -2.368 10.255 7.069 1.00 2.37 C ATOM 26 OD1 ASN A 2 -2.705 9.737 8.127 1.00 3.38 O ATOM 27 ND2 ASN A 2 -2.258 11.571 6.961 1.00 2.66 N ATOM 0 H ASN A 2 -4.863 8.968 6.467 1.00 1.44 H new ATOM 0 HA ASN A 2 -2.803 7.666 4.804 1.00 1.53 H new ATOM 0 HB2 ASN A 2 -1.073 9.036 5.867 1.00 2.06 H new ATOM 0 HB3 ASN A 2 -2.178 10.034 4.942 1.00 2.06 H new ATOM 0 HD21 ASN A 2 -2.455 12.167 7.765 1.00 2.66 H new ATOM 0 HD22 ASN A 2 -1.976 11.988 6.074 1.00 2.66 H new ATOM 34 N SER A 3 -4.027 6.712 7.414 1.00 1.60 N ATOM 35 CA SER A 3 -3.951 5.682 8.443 1.00 1.42 C ATOM 36 C SER A 3 -3.568 4.347 7.792 1.00 1.19 C ATOM 37 O SER A 3 -3.792 4.168 6.597 1.00 1.31 O ATOM 38 CB SER A 3 -5.315 5.581 9.136 1.00 1.52 C ATOM 39 OG SER A 3 -5.793 6.867 9.477 1.00 2.11 O ATOM 0 H SER A 3 -4.976 6.993 7.166 1.00 1.60 H new ATOM 0 HA SER A 3 -3.194 5.933 9.185 1.00 1.42 H new ATOM 0 HB2 SER A 3 -6.028 5.084 8.478 1.00 1.52 H new ATOM 0 HB3 SER A 3 -5.229 4.969 10.034 1.00 1.52 H new ATOM 0 HG SER A 3 -6.665 6.786 9.917 1.00 2.11 H new ATOM 45 N PRO A 4 -3.050 3.367 8.540 1.00 1.11 N ATOM 46 CA PRO A 4 -2.875 2.021 8.013 1.00 1.10 C ATOM 47 C PRO A 4 -4.238 1.468 7.571 1.00 0.75 C ATOM 48 O PRO A 4 -4.392 0.981 6.447 1.00 0.68 O ATOM 49 CB PRO A 4 -2.221 1.241 9.154 1.00 1.37 C ATOM 50 CG PRO A 4 -2.648 1.981 10.422 1.00 1.26 C ATOM 51 CD PRO A 4 -2.727 3.434 9.956 1.00 1.23 C ATOM 0 HA PRO A 4 -2.247 1.962 7.124 1.00 1.10 H new ATOM 0 HB2 PRO A 4 -2.556 0.204 9.168 1.00 1.37 H new ATOM 0 HB3 PRO A 4 -1.136 1.224 9.051 1.00 1.37 H new ATOM 0 HG2 PRO A 4 -3.608 1.623 10.795 1.00 1.26 H new ATOM 0 HG3 PRO A 4 -1.925 1.853 11.228 1.00 1.26 H new ATOM 0 HD2 PRO A 4 -3.490 3.983 10.508 1.00 1.23 H new ATOM 0 HD3 PRO A 4 -1.782 3.951 10.120 1.00 1.23 H new ATOM 59 N GLN A 5 -5.255 1.642 8.423 1.00 0.63 N ATOM 60 CA GLN A 5 -6.642 1.321 8.114 1.00 0.49 C ATOM 61 C GLN A 5 -7.074 1.951 6.790 1.00 0.40 C ATOM 62 O GLN A 5 -7.930 1.398 6.114 1.00 0.48 O ATOM 63 CB GLN A 5 -7.571 1.761 9.250 1.00 0.56 C ATOM 64 CG GLN A 5 -8.948 1.075 9.169 1.00 2.04 C ATOM 65 CD GLN A 5 -9.941 1.682 10.154 1.00 2.57 C ATOM 66 OE1 GLN A 5 -10.209 1.130 11.215 1.00 3.23 O ATOM 67 NE2 GLN A 5 -10.487 2.844 9.834 1.00 3.37 N ATOM 0 H GLN A 5 -5.128 2.017 9.363 1.00 0.63 H new ATOM 0 HA GLN A 5 -6.716 0.238 8.011 1.00 0.49 H new ATOM 0 HB2 GLN A 5 -7.106 1.529 10.208 1.00 0.56 H new ATOM 0 HB3 GLN A 5 -7.702 2.842 9.213 1.00 0.56 H new ATOM 0 HG2 GLN A 5 -9.340 1.165 8.156 1.00 2.04 H new ATOM 0 HG3 GLN A 5 -8.837 0.010 9.375 1.00 2.04 H new ATOM 0 HE21 GLN A 5 -10.253 3.290 8.947 1.00 3.37 H new ATOM 0 HE22 GLN A 5 -11.141 3.294 10.474 1.00 3.37 H new ATOM 76 N ASP A 6 -6.519 3.104 6.397 1.00 0.46 N ATOM 77 CA ASP A 6 -6.941 3.730 5.155 1.00 0.54 C ATOM 78 C ASP A 6 -6.567 2.854 3.969 1.00 0.49 C ATOM 79 O ASP A 6 -7.392 2.661 3.077 1.00 0.57 O ATOM 80 CB ASP A 6 -6.397 5.152 4.967 1.00 0.83 C ATOM 81 CG ASP A 6 -7.187 6.200 5.710 1.00 1.09 C ATOM 82 OD1 ASP A 6 -8.427 6.179 5.591 1.00 2.33 O ATOM 83 OD2 ASP A 6 -6.574 7.090 6.329 1.00 1.58 O ATOM 0 H ASP A 6 -5.795 3.606 6.911 1.00 0.46 H new ATOM 0 HA ASP A 6 -8.025 3.827 5.213 1.00 0.54 H new ATOM 0 HB2 ASP A 6 -5.360 5.184 5.303 1.00 0.83 H new ATOM 0 HB3 ASP A 6 -6.395 5.395 3.904 1.00 0.83 H new ATOM 88 N TYR A 7 -5.340 2.331 3.936 1.00 0.45 N ATOM 89 CA TYR A 7 -4.963 1.420 2.870 1.00 0.45 C ATOM 90 C TYR A 7 -5.856 0.185 2.943 1.00 0.38 C ATOM 91 O TYR A 7 -6.480 -0.193 1.949 1.00 0.38 O ATOM 92 CB TYR A 7 -3.489 1.024 2.972 1.00 0.52 C ATOM 93 CG TYR A 7 -2.504 2.108 2.596 1.00 0.68 C ATOM 94 CD1 TYR A 7 -2.060 3.010 3.577 1.00 2.04 C ATOM 95 CD2 TYR A 7 -1.847 2.051 1.352 1.00 1.77 C ATOM 96 CE1 TYR A 7 -0.921 3.795 3.343 1.00 2.34 C ATOM 97 CE2 TYR A 7 -0.723 2.853 1.110 1.00 1.76 C ATOM 98 CZ TYR A 7 -0.238 3.694 2.125 1.00 1.32 C ATOM 99 OH TYR A 7 0.929 4.369 1.961 1.00 1.79 O ATOM 0 H TYR A 7 -4.609 2.521 4.622 1.00 0.45 H new ATOM 0 HA TYR A 7 -5.097 1.919 1.910 1.00 0.45 H new ATOM 0 HB2 TYR A 7 -3.284 0.708 3.995 1.00 0.52 H new ATOM 0 HB3 TYR A 7 -3.316 0.160 2.331 1.00 0.52 H new ATOM 0 HD1 TYR A 7 -2.595 3.099 4.511 1.00 2.04 H new ATOM 0 HD2 TYR A 7 -2.210 1.387 0.582 1.00 1.77 H new ATOM 0 HE1 TYR A 7 -0.571 4.478 4.103 1.00 2.34 H new ATOM 0 HE2 TYR A 7 -0.233 2.824 0.148 1.00 1.76 H new ATOM 0 HH TYR A 7 1.674 3.733 1.932 1.00 1.79 H new ATOM 109 N LEU A 8 -5.902 -0.438 4.120 1.00 0.35 N ATOM 110 CA LEU A 8 -6.683 -1.645 4.354 1.00 0.31 C ATOM 111 C LEU A 8 -8.123 -1.477 3.879 1.00 0.31 C ATOM 112 O LEU A 8 -8.670 -2.376 3.254 1.00 0.36 O ATOM 113 CB LEU A 8 -6.638 -2.026 5.840 1.00 0.33 C ATOM 114 CG LEU A 8 -5.546 -3.049 6.183 1.00 0.36 C ATOM 115 CD1 LEU A 8 -5.560 -3.263 7.697 1.00 0.44 C ATOM 116 CD2 LEU A 8 -5.763 -4.410 5.513 1.00 0.50 C ATOM 0 H LEU A 8 -5.393 -0.114 4.942 1.00 0.35 H new ATOM 0 HA LEU A 8 -6.240 -2.454 3.773 1.00 0.31 H new ATOM 0 HB2 LEU A 8 -6.478 -1.125 6.432 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -7.607 -2.431 6.131 1.00 0.33 H new ATOM 0 HG LEU A 8 -4.598 -2.651 5.821 1.00 0.36 H new ATOM 0 HD11 LEU A 8 -4.792 -3.987 7.969 1.00 0.44 H new ATOM 0 HD12 LEU A 8 -5.361 -2.317 8.200 1.00 0.44 H new ATOM 0 HD13 LEU A 8 -6.537 -3.638 8.002 1.00 0.44 H new ATOM 0 HD21 LEU A 8 -4.957 -5.087 5.796 1.00 0.50 H new ATOM 0 HD22 LEU A 8 -6.717 -4.826 5.836 1.00 0.50 H new ATOM 0 HD23 LEU A 8 -5.769 -4.286 4.430 1.00 0.50 H new ATOM 128 N ALA A 9 -8.739 -0.333 4.157 1.00 0.32 N ATOM 129 CA ALA A 9 -10.102 -0.030 3.766 1.00 0.34 C ATOM 130 C ALA A 9 -10.252 -0.140 2.253 1.00 0.34 C ATOM 131 O ALA A 9 -11.075 -0.913 1.775 1.00 0.39 O ATOM 132 CB ALA A 9 -10.474 1.370 4.253 1.00 0.40 C ATOM 0 H ALA A 9 -8.290 0.424 4.673 1.00 0.32 H new ATOM 0 HA ALA A 9 -10.780 -0.750 4.224 1.00 0.34 H new ATOM 0 HB1 ALA A 9 -11.499 1.597 3.959 1.00 0.40 H new ATOM 0 HB2 ALA A 9 -10.391 1.412 5.339 1.00 0.40 H new ATOM 0 HB3 ALA A 9 -9.798 2.101 3.809 1.00 0.40 H new ATOM 138 N VAL A 10 -9.460 0.624 1.498 1.00 0.32 N ATOM 139 CA VAL A 10 -9.592 0.667 0.045 1.00 0.32 C ATOM 140 C VAL A 10 -9.386 -0.741 -0.529 1.00 0.32 C ATOM 141 O VAL A 10 -10.128 -1.178 -1.411 1.00 0.34 O ATOM 142 CB VAL A 10 -8.624 1.708 -0.553 1.00 0.35 C ATOM 143 CG1 VAL A 10 -8.812 1.840 -2.072 1.00 0.40 C ATOM 144 CG2 VAL A 10 -8.836 3.111 0.030 1.00 0.39 C ATOM 0 H VAL A 10 -8.721 1.220 1.871 1.00 0.32 H new ATOM 0 HA VAL A 10 -10.597 0.988 -0.230 1.00 0.32 H new ATOM 0 HB VAL A 10 -7.627 1.343 -0.305 1.00 0.35 H new ATOM 0 HG11 VAL A 10 -8.115 2.582 -2.462 1.00 0.40 H new ATOM 0 HG12 VAL A 10 -8.622 0.878 -2.547 1.00 0.40 H new ATOM 0 HG13 VAL A 10 -9.833 2.155 -2.286 1.00 0.40 H new ATOM 0 HG21 VAL A 10 -8.129 3.805 -0.425 1.00 0.39 H new ATOM 0 HG22 VAL A 10 -9.854 3.441 -0.178 1.00 0.39 H new ATOM 0 HG23 VAL A 10 -8.676 3.085 1.108 1.00 0.39 H new ATOM 154 N HIS A 11 -8.381 -1.460 -0.020 1.00 0.31 N ATOM 155 CA HIS A 11 -8.137 -2.838 -0.421 1.00 0.30 C ATOM 156 C HIS A 11 -9.365 -3.704 -0.142 1.00 0.30 C ATOM 157 O HIS A 11 -9.886 -4.351 -1.042 1.00 0.31 O ATOM 158 CB HIS A 11 -6.909 -3.400 0.301 1.00 0.32 C ATOM 159 CG HIS A 11 -5.613 -2.856 -0.233 1.00 0.37 C ATOM 160 ND1 HIS A 11 -5.105 -1.596 -0.034 1.00 0.40 N ATOM 161 CD2 HIS A 11 -4.757 -3.516 -1.066 1.00 0.49 C ATOM 162 CE1 HIS A 11 -3.963 -1.504 -0.735 1.00 0.54 C ATOM 163 NE2 HIS A 11 -3.725 -2.639 -1.407 1.00 0.61 N ATOM 0 H HIS A 11 -7.724 -1.103 0.673 1.00 0.31 H new ATOM 0 HA HIS A 11 -7.942 -2.853 -1.493 1.00 0.30 H new ATOM 0 HB2 HIS A 11 -6.983 -3.170 1.364 1.00 0.32 H new ATOM 0 HB3 HIS A 11 -6.906 -4.486 0.209 1.00 0.32 H new ATOM 0 HD1 HIS A 11 -5.520 -0.863 0.542 1.00 0.40 H new ATOM 0 HD2 HIS A 11 -4.860 -4.537 -1.402 1.00 0.49 H new ATOM 0 HE1 HIS A 11 -3.324 -0.634 -0.755 1.00 0.54 H new ATOM 171 N ASN A 12 -9.810 -3.728 1.111 1.00 0.39 N ATOM 172 CA ASN A 12 -10.922 -4.545 1.583 1.00 0.51 C ATOM 173 C ASN A 12 -12.187 -4.242 0.782 1.00 0.57 C ATOM 174 O ASN A 12 -12.973 -5.146 0.508 1.00 0.70 O ATOM 175 CB ASN A 12 -11.170 -4.325 3.084 1.00 0.62 C ATOM 176 CG ASN A 12 -10.146 -5.005 3.994 1.00 0.78 C ATOM 177 OD1 ASN A 12 -9.593 -6.052 3.674 1.00 1.44 O ATOM 178 ND2 ASN A 12 -9.892 -4.444 5.174 1.00 0.78 N ATOM 0 H ASN A 12 -9.393 -3.161 1.849 1.00 0.39 H new ATOM 0 HA ASN A 12 -10.658 -5.592 1.434 1.00 0.51 H new ATOM 0 HB2 ASN A 12 -11.167 -3.254 3.288 1.00 0.62 H new ATOM 0 HB3 ASN A 12 -12.164 -4.694 3.335 1.00 0.62 H new ATOM 0 HD21 ASN A 12 -9.235 -4.885 5.817 1.00 0.78 H new ATOM 0 HD22 ASN A 12 -10.355 -3.573 5.435 1.00 0.78 H new ATOM 185 N ASP A 13 -12.389 -2.983 0.390 1.00 0.56 N ATOM 186 CA ASP A 13 -13.402 -2.604 -0.584 1.00 0.68 C ATOM 187 C ASP A 13 -13.247 -3.287 -1.929 1.00 0.66 C ATOM 188 O ASP A 13 -14.142 -4.003 -2.363 1.00 0.76 O ATOM 189 CB ASP A 13 -13.478 -1.085 -0.759 1.00 0.74 C ATOM 190 CG ASP A 13 -14.897 -0.584 -0.822 1.00 0.98 C ATOM 191 OD1 ASP A 13 -15.700 -0.927 0.069 1.00 2.30 O ATOM 192 OD2 ASP A 13 -15.174 0.170 -1.781 1.00 1.34 O ATOM 0 H ASP A 13 -11.848 -2.195 0.745 1.00 0.56 H new ATOM 0 HA ASP A 13 -14.344 -2.958 -0.166 1.00 0.68 H new ATOM 0 HB2 ASP A 13 -12.961 -0.600 0.069 1.00 0.74 H new ATOM 0 HB3 ASP A 13 -12.954 -0.801 -1.672 1.00 0.74 H new ATOM 197 N ALA A 14 -12.143 -3.028 -2.626 1.00 0.54 N ATOM 198 CA ALA A 14 -11.908 -3.616 -3.942 1.00 0.58 C ATOM 199 C ALA A 14 -12.084 -5.134 -3.879 1.00 0.59 C ATOM 200 O ALA A 14 -12.721 -5.735 -4.738 1.00 0.73 O ATOM 201 CB ALA A 14 -10.508 -3.236 -4.431 1.00 0.57 C ATOM 0 H ALA A 14 -11.396 -2.414 -2.301 1.00 0.54 H new ATOM 0 HA ALA A 14 -12.637 -3.226 -4.653 1.00 0.58 H new ATOM 0 HB1 ALA A 14 -10.334 -3.675 -5.413 1.00 0.57 H new ATOM 0 HB2 ALA A 14 -10.429 -2.151 -4.500 1.00 0.57 H new ATOM 0 HB3 ALA A 14 -9.763 -3.611 -3.729 1.00 0.57 H new ATOM 207 N ARG A 15 -11.539 -5.749 -2.837 1.00 0.49 N ATOM 208 CA ARG A 15 -11.662 -7.169 -2.589 1.00 0.56 C ATOM 209 C ARG A 15 -13.134 -7.555 -2.424 1.00 0.69 C ATOM 210 O ARG A 15 -13.614 -8.439 -3.133 1.00 0.71 O ATOM 211 CB ARG A 15 -10.757 -7.545 -1.407 1.00 0.50 C ATOM 212 CG ARG A 15 -9.292 -7.451 -1.853 1.00 0.46 C ATOM 213 CD ARG A 15 -8.281 -7.527 -0.705 1.00 0.79 C ATOM 214 NE ARG A 15 -8.315 -8.817 0.003 1.00 1.29 N ATOM 215 CZ ARG A 15 -7.364 -9.762 -0.054 1.00 1.87 C ATOM 216 NH1 ARG A 15 -6.537 -9.812 -1.095 1.00 2.91 N ATOM 217 NH2 ARG A 15 -7.227 -10.645 0.934 1.00 2.91 N ATOM 0 H ARG A 15 -10.990 -5.260 -2.130 1.00 0.49 H new ATOM 0 HA ARG A 15 -11.315 -7.754 -3.441 1.00 0.56 H new ATOM 0 HB2 ARG A 15 -10.939 -6.876 -0.566 1.00 0.50 H new ATOM 0 HB3 ARG A 15 -10.983 -8.555 -1.066 1.00 0.50 H new ATOM 0 HG2 ARG A 15 -9.086 -8.257 -2.558 1.00 0.46 H new ATOM 0 HG3 ARG A 15 -9.146 -6.513 -2.389 1.00 0.46 H new ATOM 0 HD2 ARG A 15 -7.278 -7.361 -1.099 1.00 0.79 H new ATOM 0 HD3 ARG A 15 -8.482 -6.724 0.004 1.00 0.79 H new ATOM 0 HE ARG A 15 -9.130 -9.009 0.586 1.00 1.29 H new ATOM 0 HH11 ARG A 15 -6.626 -9.132 -1.850 1.00 2.91 H new ATOM 0 HH12 ARG A 15 -5.814 -10.530 -1.138 1.00 2.91 H new ATOM 0 HH21 ARG A 15 -7.848 -10.606 1.742 1.00 2.91 H new ATOM 0 HH22 ARG A 15 -6.501 -11.360 0.882 1.00 2.91 H new ATOM 231 N ALA A 16 -13.876 -6.859 -1.561 1.00 0.78 N ATOM 232 CA ALA A 16 -15.310 -7.070 -1.413 1.00 0.89 C ATOM 233 C ALA A 16 -16.020 -7.032 -2.763 1.00 0.96 C ATOM 234 O ALA A 16 -16.883 -7.869 -3.029 1.00 1.08 O ATOM 235 CB ALA A 16 -15.929 -6.024 -0.482 1.00 0.93 C ATOM 0 H ALA A 16 -13.498 -6.136 -0.949 1.00 0.78 H new ATOM 0 HA ALA A 16 -15.443 -8.059 -0.974 1.00 0.89 H new ATOM 0 HB1 ALA A 16 -17.000 -6.206 -0.391 1.00 0.93 H new ATOM 0 HB2 ALA A 16 -15.464 -6.092 0.502 1.00 0.93 H new ATOM 0 HB3 ALA A 16 -15.765 -5.028 -0.893 1.00 0.93 H new ATOM 241 N GLN A 17 -15.676 -6.061 -3.613 1.00 0.90 N ATOM 242 CA GLN A 17 -16.335 -5.884 -4.898 1.00 0.99 C ATOM 243 C GLN A 17 -16.353 -7.188 -5.697 1.00 1.11 C ATOM 244 O GLN A 17 -17.396 -7.540 -6.247 1.00 1.56 O ATOM 245 CB GLN A 17 -15.726 -4.731 -5.712 1.00 1.01 C ATOM 246 CG GLN A 17 -15.794 -3.341 -5.066 1.00 1.19 C ATOM 247 CD GLN A 17 -16.994 -3.125 -4.158 1.00 2.56 C ATOM 248 OE1 GLN A 17 -18.101 -2.873 -4.627 1.00 3.61 O ATOM 249 NE2 GLN A 17 -16.797 -3.177 -2.853 1.00 3.33 N ATOM 0 H GLN A 17 -14.937 -5.383 -3.427 1.00 0.90 H new ATOM 0 HA GLN A 17 -17.369 -5.607 -4.690 1.00 0.99 H new ATOM 0 HB2 GLN A 17 -14.681 -4.966 -5.911 1.00 1.01 H new ATOM 0 HB3 GLN A 17 -16.232 -4.687 -6.676 1.00 1.01 H new ATOM 0 HG2 GLN A 17 -14.884 -3.178 -4.489 1.00 1.19 H new ATOM 0 HG3 GLN A 17 -15.811 -2.588 -5.854 1.00 1.19 H new ATOM 0 HE21 GLN A 17 -15.869 -3.388 -2.485 1.00 3.33 H new ATOM 0 HE22 GLN A 17 -17.573 -3.006 -2.213 1.00 3.33 H new ATOM 258 N VAL A 18 -15.226 -7.899 -5.733 1.00 0.82 N ATOM 259 CA VAL A 18 -15.092 -9.158 -6.456 1.00 0.84 C ATOM 260 C VAL A 18 -15.187 -10.384 -5.530 1.00 0.90 C ATOM 261 O VAL A 18 -14.842 -11.498 -5.938 1.00 1.07 O ATOM 262 CB VAL A 18 -13.816 -9.132 -7.318 1.00 0.73 C ATOM 263 CG1 VAL A 18 -14.016 -8.243 -8.551 1.00 0.86 C ATOM 264 CG2 VAL A 18 -12.587 -8.619 -6.561 1.00 0.61 C ATOM 0 H VAL A 18 -14.372 -7.611 -5.255 1.00 0.82 H new ATOM 0 HA VAL A 18 -15.940 -9.264 -7.132 1.00 0.84 H new ATOM 0 HB VAL A 18 -13.635 -10.168 -7.606 1.00 0.73 H new ATOM 0 HG11 VAL A 18 -13.104 -8.237 -9.147 1.00 0.86 H new ATOM 0 HG12 VAL A 18 -14.839 -8.632 -9.150 1.00 0.86 H new ATOM 0 HG13 VAL A 18 -14.248 -7.227 -8.233 1.00 0.86 H new ATOM 0 HG21 VAL A 18 -11.722 -8.626 -7.224 1.00 0.61 H new ATOM 0 HG22 VAL A 18 -12.771 -7.602 -6.215 1.00 0.61 H new ATOM 0 HG23 VAL A 18 -12.392 -9.264 -5.704 1.00 0.61 H new ATOM 274 N GLY A 19 -15.734 -10.235 -4.322 1.00 0.90 N ATOM 275 CA GLY A 19 -15.968 -11.351 -3.409 1.00 0.97 C ATOM 276 C GLY A 19 -14.664 -12.057 -3.032 1.00 0.93 C ATOM 277 O GLY A 19 -14.591 -13.290 -2.965 1.00 1.17 O ATOM 0 H GLY A 19 -16.028 -9.332 -3.950 1.00 0.90 H new ATOM 0 HA2 GLY A 19 -16.458 -10.986 -2.506 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -16.647 -12.065 -3.874 1.00 0.97 H new ATOM 281 N VAL A 20 -13.621 -11.264 -2.808 1.00 0.73 N ATOM 282 CA VAL A 20 -12.337 -11.686 -2.285 1.00 0.66 C ATOM 283 C VAL A 20 -12.343 -11.367 -0.789 1.00 0.62 C ATOM 284 O VAL A 20 -12.816 -10.301 -0.402 1.00 0.57 O ATOM 285 CB VAL A 20 -11.228 -10.937 -3.033 1.00 0.58 C ATOM 286 CG1 VAL A 20 -9.869 -11.197 -2.389 1.00 0.71 C ATOM 287 CG2 VAL A 20 -11.181 -11.347 -4.508 1.00 0.64 C ATOM 0 H VAL A 20 -13.655 -10.262 -2.997 1.00 0.73 H new ATOM 0 HA VAL A 20 -12.157 -12.752 -2.424 1.00 0.66 H new ATOM 0 HB VAL A 20 -11.455 -9.873 -2.972 1.00 0.58 H new ATOM 0 HG11 VAL A 20 -9.097 -10.656 -2.936 1.00 0.71 H new ATOM 0 HG12 VAL A 20 -9.886 -10.857 -1.354 1.00 0.71 H new ATOM 0 HG13 VAL A 20 -9.652 -12.265 -2.416 1.00 0.71 H new ATOM 0 HG21 VAL A 20 -10.385 -10.799 -5.013 1.00 0.64 H new ATOM 0 HG22 VAL A 20 -10.989 -12.417 -4.582 1.00 0.64 H new ATOM 0 HG23 VAL A 20 -12.136 -11.116 -4.980 1.00 0.64 H new ATOM 297 N GLY A 21 -11.850 -12.273 0.056 1.00 0.73 N ATOM 298 CA GLY A 21 -11.824 -12.057 1.500 1.00 0.77 C ATOM 299 C GLY A 21 -10.896 -10.905 1.902 1.00 0.71 C ATOM 300 O GLY A 21 -10.006 -10.543 1.133 1.00 0.75 O ATOM 0 H GLY A 21 -11.461 -13.169 -0.239 1.00 0.73 H new ATOM 0 HA2 GLY A 21 -12.834 -11.846 1.851 1.00 0.77 H new ATOM 0 HA3 GLY A 21 -11.499 -12.972 1.996 1.00 0.77 H new ATOM 304 N PRO A 22 -11.075 -10.326 3.097 1.00 0.76 N ATOM 305 CA PRO A 22 -10.364 -9.130 3.539 1.00 0.77 C ATOM 306 C PRO A 22 -8.903 -9.421 3.901 1.00 0.83 C ATOM 307 O PRO A 22 -8.343 -10.449 3.506 1.00 0.96 O ATOM 308 CB PRO A 22 -11.203 -8.593 4.710 1.00 0.90 C ATOM 309 CG PRO A 22 -11.826 -9.855 5.298 1.00 1.01 C ATOM 310 CD PRO A 22 -12.083 -10.719 4.066 1.00 0.90 C ATOM 0 HA PRO A 22 -10.274 -8.382 2.751 1.00 0.77 H new ATOM 0 HB2 PRO A 22 -10.586 -8.070 5.441 1.00 0.90 H new ATOM 0 HB3 PRO A 22 -11.963 -7.889 4.372 1.00 0.90 H new ATOM 0 HG2 PRO A 22 -11.154 -10.346 6.002 1.00 1.01 H new ATOM 0 HG3 PRO A 22 -12.748 -9.636 5.837 1.00 1.01 H new ATOM 0 HD2 PRO A 22 -12.003 -11.779 4.307 1.00 0.90 H new ATOM 0 HD3 PRO A 22 -13.087 -10.556 3.675 1.00 0.90 H new ATOM 318 N MET A 23 -8.268 -8.492 4.614 1.00 0.85 N ATOM 319 CA MET A 23 -6.894 -8.552 5.086 1.00 0.90 C ATOM 320 C MET A 23 -6.773 -7.713 6.367 1.00 0.93 C ATOM 321 O MET A 23 -7.686 -6.946 6.689 1.00 0.99 O ATOM 322 CB MET A 23 -5.936 -8.080 3.977 1.00 0.85 C ATOM 323 CG MET A 23 -6.522 -6.987 3.072 1.00 0.86 C ATOM 324 SD MET A 23 -5.355 -6.144 1.976 1.00 1.16 S ATOM 325 CE MET A 23 -4.454 -7.528 1.246 1.00 0.87 C ATOM 0 H MET A 23 -8.731 -7.627 4.892 1.00 0.85 H new ATOM 0 HA MET A 23 -6.614 -9.577 5.328 1.00 0.90 H new ATOM 0 HB2 MET A 23 -5.021 -7.706 4.436 1.00 0.85 H new ATOM 0 HB3 MET A 23 -5.657 -8.936 3.362 1.00 0.85 H new ATOM 0 HG2 MET A 23 -7.305 -7.433 2.460 1.00 0.86 H new ATOM 0 HG3 MET A 23 -6.999 -6.239 3.704 1.00 0.86 H new ATOM 0 HE1 MET A 23 -4.003 -7.213 0.305 1.00 0.87 H new ATOM 0 HE2 MET A 23 -3.672 -7.855 1.932 1.00 0.87 H new ATOM 0 HE3 MET A 23 -5.142 -8.353 1.060 1.00 0.87 H new ATOM 335 N SER A 24 -5.665 -7.871 7.095 1.00 0.98 N ATOM 336 CA SER A 24 -5.318 -7.123 8.301 1.00 1.00 C ATOM 337 C SER A 24 -3.870 -6.645 8.216 1.00 0.79 C ATOM 338 O SER A 24 -3.190 -6.924 7.229 1.00 0.77 O ATOM 339 CB SER A 24 -5.656 -7.941 9.562 1.00 1.39 C ATOM 340 OG SER A 24 -4.531 -8.530 10.189 1.00 1.43 O ATOM 0 H SER A 24 -4.953 -8.557 6.846 1.00 0.98 H new ATOM 0 HA SER A 24 -5.925 -6.221 8.378 1.00 1.00 H new ATOM 0 HB2 SER A 24 -6.159 -7.292 10.279 1.00 1.39 H new ATOM 0 HB3 SER A 24 -6.362 -8.727 9.293 1.00 1.39 H new ATOM 0 HG SER A 24 -4.822 -9.030 10.980 1.00 1.43 H new ATOM 346 N TRP A 25 -3.415 -5.911 9.230 1.00 0.75 N ATOM 347 CA TRP A 25 -2.092 -5.293 9.225 1.00 0.68 C ATOM 348 C TRP A 25 -1.028 -6.312 9.642 1.00 0.64 C ATOM 349 O TRP A 25 -1.338 -7.362 10.210 1.00 0.80 O ATOM 350 CB TRP A 25 -2.056 -4.088 10.180 1.00 0.72 C ATOM 351 CG TRP A 25 -1.066 -3.035 9.778 1.00 0.63 C ATOM 352 CD1 TRP A 25 0.086 -2.695 10.399 1.00 0.59 C ATOM 353 CD2 TRP A 25 -1.119 -2.219 8.580 1.00 0.60 C ATOM 354 NE1 TRP A 25 0.712 -1.687 9.691 1.00 0.53 N ATOM 355 CE2 TRP A 25 0.018 -1.362 8.542 1.00 0.49 C ATOM 356 CE3 TRP A 25 -2.026 -2.136 7.514 1.00 0.72 C ATOM 357 CZ2 TRP A 25 0.226 -0.444 7.498 1.00 0.46 C ATOM 358 CZ3 TRP A 25 -1.823 -1.242 6.458 1.00 0.69 C ATOM 359 CH2 TRP A 25 -0.728 -0.361 6.467 1.00 0.54 C ATOM 0 H TRP A 25 -3.953 -5.729 10.077 1.00 0.75 H new ATOM 0 HA TRP A 25 -1.880 -4.948 8.213 1.00 0.68 H new ATOM 0 HB2 TRP A 25 -3.050 -3.642 10.227 1.00 0.72 H new ATOM 0 HB3 TRP A 25 -1.815 -4.437 11.184 1.00 0.72 H new ATOM 0 HD1 TRP A 25 0.459 -3.142 11.308 1.00 0.59 H new ATOM 0 HE1 TRP A 25 1.580 -1.238 9.981 1.00 0.53 H new ATOM 0 HE3 TRP A 25 -2.897 -2.774 7.508 1.00 0.72 H new ATOM 0 HZ2 TRP A 25 1.103 0.187 7.487 1.00 0.46 H new ATOM 0 HZ3 TRP A 25 -2.514 -1.228 5.628 1.00 0.69 H new ATOM 0 HH2 TRP A 25 -0.619 0.377 5.686 1.00 0.54 H new ATOM 370 N ASP A 26 0.238 -5.968 9.443 1.00 1.04 N ATOM 371 CA ASP A 26 1.414 -6.788 9.660 1.00 0.78 C ATOM 372 C ASP A 26 2.558 -5.856 10.048 1.00 0.87 C ATOM 373 O ASP A 26 3.124 -5.145 9.220 1.00 1.34 O ATOM 374 CB ASP A 26 1.773 -7.530 8.365 1.00 0.80 C ATOM 375 CG ASP A 26 1.210 -6.828 7.146 1.00 2.82 C ATOM 376 OD1 ASP A 26 1.478 -5.626 6.995 1.00 4.31 O ATOM 377 OD2 ASP A 26 0.421 -7.489 6.446 1.00 3.97 O ATOM 0 H ASP A 26 0.483 -5.039 9.100 1.00 1.04 H new ATOM 0 HA ASP A 26 1.231 -7.523 10.444 1.00 0.78 H new ATOM 0 HB2 ASP A 26 2.857 -7.603 8.275 1.00 0.80 H new ATOM 0 HB3 ASP A 26 1.387 -8.549 8.410 1.00 0.80 H new ATOM 382 N ALA A 27 2.981 -5.902 11.306 1.00 0.88 N ATOM 383 CA ALA A 27 4.047 -5.032 11.774 1.00 0.98 C ATOM 384 C ALA A 27 5.342 -5.356 11.027 1.00 0.86 C ATOM 385 O ALA A 27 6.138 -4.468 10.731 1.00 0.91 O ATOM 386 CB ALA A 27 4.229 -5.219 13.284 1.00 1.16 C ATOM 0 H ALA A 27 2.603 -6.530 12.015 1.00 0.88 H new ATOM 0 HA ALA A 27 3.788 -3.991 11.579 1.00 0.98 H new ATOM 0 HB1 ALA A 27 5.028 -4.567 13.638 1.00 1.16 H new ATOM 0 HB2 ALA A 27 3.301 -4.966 13.796 1.00 1.16 H new ATOM 0 HB3 ALA A 27 4.488 -6.257 13.494 1.00 1.16 H new ATOM 392 N ASN A 28 5.564 -6.631 10.701 1.00 0.75 N ATOM 393 CA ASN A 28 6.799 -7.069 10.067 1.00 0.77 C ATOM 394 C ASN A 28 6.876 -6.518 8.648 1.00 0.70 C ATOM 395 O ASN A 28 7.866 -5.895 8.270 1.00 0.76 O ATOM 396 CB ASN A 28 6.906 -8.599 10.046 1.00 0.81 C ATOM 397 CG ASN A 28 6.775 -9.279 11.407 1.00 1.04 C ATOM 398 OD1 ASN A 28 6.528 -10.478 11.463 1.00 2.38 O ATOM 399 ND2 ASN A 28 6.904 -8.558 12.512 1.00 1.93 N ATOM 0 H ASN A 28 4.894 -7.381 10.870 1.00 0.75 H new ATOM 0 HA ASN A 28 7.635 -6.684 10.651 1.00 0.77 H new ATOM 0 HB2 ASN A 28 6.133 -8.992 9.385 1.00 0.81 H new ATOM 0 HB3 ASN A 28 7.867 -8.874 9.611 1.00 0.81 H new ATOM 0 HD21 ASN A 28 6.798 -9.000 13.425 1.00 1.93 H new ATOM 0 HD22 ASN A 28 7.110 -7.561 12.449 1.00 1.93 H new ATOM 406 N LEU A 29 5.828 -6.739 7.856 1.00 0.63 N ATOM 407 CA LEU A 29 5.761 -6.239 6.490 1.00 0.60 C ATOM 408 C LEU A 29 5.823 -4.718 6.496 1.00 0.59 C ATOM 409 O LEU A 29 6.611 -4.137 5.754 1.00 0.68 O ATOM 410 CB LEU A 29 4.472 -6.712 5.821 1.00 0.60 C ATOM 411 CG LEU A 29 4.530 -8.184 5.401 1.00 0.66 C ATOM 412 CD1 LEU A 29 3.140 -8.807 5.348 1.00 1.22 C ATOM 413 CD2 LEU A 29 5.060 -8.255 3.974 1.00 0.55 C ATOM 0 H LEU A 29 5.005 -7.268 8.145 1.00 0.63 H new ATOM 0 HA LEU A 29 6.609 -6.627 5.926 1.00 0.60 H new ATOM 0 HB2 LEU A 29 3.637 -6.567 6.507 1.00 0.60 H new ATOM 0 HB3 LEU A 29 4.275 -6.096 4.944 1.00 0.60 H new ATOM 0 HG LEU A 29 5.155 -8.709 6.124 1.00 0.66 H new ATOM 0 HD11 LEU A 29 3.221 -9.851 5.047 1.00 1.22 H new ATOM 0 HD12 LEU A 29 2.677 -8.748 6.333 1.00 1.22 H new ATOM 0 HD13 LEU A 29 2.527 -8.267 4.626 1.00 1.22 H new ATOM 0 HD21 LEU A 29 5.109 -9.296 3.655 1.00 0.55 H new ATOM 0 HD22 LEU A 29 4.394 -7.704 3.311 1.00 0.55 H new ATOM 0 HD23 LEU A 29 6.057 -7.816 3.934 1.00 0.55 H new ATOM 425 N ALA A 30 5.011 -4.069 7.332 1.00 0.51 N ATOM 426 CA ALA A 30 4.998 -2.618 7.434 1.00 0.51 C ATOM 427 C ALA A 30 6.399 -2.103 7.753 1.00 0.55 C ATOM 428 O ALA A 30 6.883 -1.190 7.093 1.00 0.57 O ATOM 429 CB ALA A 30 3.961 -2.180 8.468 1.00 0.52 C ATOM 0 H ALA A 30 4.349 -4.536 7.952 1.00 0.51 H new ATOM 0 HA ALA A 30 4.707 -2.180 6.479 1.00 0.51 H new ATOM 0 HB1 ALA A 30 3.956 -1.092 8.540 1.00 0.52 H new ATOM 0 HB2 ALA A 30 2.974 -2.528 8.163 1.00 0.52 H new ATOM 0 HB3 ALA A 30 4.213 -2.607 9.439 1.00 0.52 H new ATOM 435 N SER A 31 7.079 -2.730 8.715 1.00 0.60 N ATOM 436 CA SER A 31 8.476 -2.441 8.997 1.00 0.68 C ATOM 437 C SER A 31 9.322 -2.542 7.726 1.00 0.64 C ATOM 438 O SER A 31 9.996 -1.584 7.364 1.00 0.63 O ATOM 439 CB SER A 31 8.996 -3.256 10.159 1.00 0.74 C ATOM 440 OG SER A 31 10.400 -3.179 10.298 1.00 1.75 O ATOM 0 H SER A 31 6.674 -3.448 9.315 1.00 0.60 H new ATOM 0 HA SER A 31 8.558 -1.405 9.327 1.00 0.68 H new ATOM 0 HB2 SER A 31 8.525 -2.910 11.079 1.00 0.74 H new ATOM 0 HB3 SER A 31 8.706 -4.298 10.025 1.00 0.74 H new ATOM 0 HG SER A 31 10.683 -3.722 11.063 1.00 1.75 H new ATOM 446 N ARG A 32 9.284 -3.683 7.036 1.00 0.65 N ATOM 447 CA ARG A 32 10.025 -3.901 5.796 1.00 0.63 C ATOM 448 C ARG A 32 9.765 -2.766 4.802 1.00 0.55 C ATOM 449 O ARG A 32 10.694 -2.243 4.196 1.00 0.58 O ATOM 450 CB ARG A 32 9.584 -5.233 5.154 1.00 0.67 C ATOM 451 CG ARG A 32 10.739 -6.080 4.594 1.00 0.97 C ATOM 452 CD ARG A 32 11.132 -7.231 5.539 1.00 2.16 C ATOM 453 NE ARG A 32 12.489 -7.093 6.098 1.00 3.21 N ATOM 454 CZ ARG A 32 12.880 -7.670 7.247 1.00 4.26 C ATOM 455 NH1 ARG A 32 12.067 -8.527 7.870 1.00 4.71 N ATOM 456 NH2 ARG A 32 14.074 -7.398 7.780 1.00 5.30 N ATOM 0 H ARG A 32 8.731 -4.489 7.327 1.00 0.65 H new ATOM 0 HA ARG A 32 11.088 -3.931 6.035 1.00 0.63 H new ATOM 0 HB2 ARG A 32 9.046 -5.821 5.898 1.00 0.67 H new ATOM 0 HB3 ARG A 32 8.882 -5.019 4.348 1.00 0.67 H new ATOM 0 HG2 ARG A 32 10.450 -6.490 3.626 1.00 0.97 H new ATOM 0 HG3 ARG A 32 11.605 -5.441 4.423 1.00 0.97 H new ATOM 0 HD2 ARG A 32 10.414 -7.281 6.357 1.00 2.16 H new ATOM 0 HD3 ARG A 32 11.064 -8.175 4.998 1.00 2.16 H new ATOM 0 HE ARG A 32 13.167 -6.530 5.585 1.00 3.21 H new ATOM 0 HH11 ARG A 32 11.152 -8.742 7.474 1.00 4.71 H new ATOM 0 HH12 ARG A 32 12.361 -8.967 8.742 1.00 4.71 H new ATOM 0 HH21 ARG A 32 14.703 -6.744 7.314 1.00 5.30 H new ATOM 0 HH22 ARG A 32 14.356 -7.844 8.653 1.00 5.30 H new ATOM 470 N ALA A 33 8.500 -2.408 4.599 1.00 0.50 N ATOM 471 CA ALA A 33 8.103 -1.405 3.628 1.00 0.51 C ATOM 472 C ALA A 33 8.610 -0.030 4.052 1.00 0.54 C ATOM 473 O ALA A 33 9.104 0.736 3.228 1.00 0.54 O ATOM 474 CB ALA A 33 6.581 -1.413 3.483 1.00 0.50 C ATOM 0 H ALA A 33 7.717 -2.813 5.112 1.00 0.50 H new ATOM 0 HA ALA A 33 8.546 -1.638 2.660 1.00 0.51 H new ATOM 0 HB1 ALA A 33 6.281 -0.660 2.754 1.00 0.50 H new ATOM 0 HB2 ALA A 33 6.253 -2.396 3.145 1.00 0.50 H new ATOM 0 HB3 ALA A 33 6.123 -1.188 4.446 1.00 0.50 H new ATOM 480 N GLN A 34 8.467 0.301 5.334 1.00 0.61 N ATOM 481 CA GLN A 34 8.914 1.560 5.901 1.00 0.69 C ATOM 482 C GLN A 34 10.419 1.684 5.715 1.00 0.64 C ATOM 483 O GLN A 34 10.911 2.714 5.267 1.00 0.66 O ATOM 484 CB GLN A 34 8.517 1.618 7.386 1.00 0.87 C ATOM 485 CG GLN A 34 9.035 2.859 8.123 1.00 1.29 C ATOM 486 CD GLN A 34 8.468 4.146 7.544 1.00 1.05 C ATOM 487 OE1 GLN A 34 7.545 4.728 8.106 1.00 2.10 O ATOM 488 NE2 GLN A 34 8.995 4.612 6.419 1.00 1.44 N ATOM 0 H GLN A 34 8.027 -0.316 6.017 1.00 0.61 H new ATOM 0 HA GLN A 34 8.439 2.400 5.393 1.00 0.69 H new ATOM 0 HB2 GLN A 34 7.430 1.590 7.462 1.00 0.87 H new ATOM 0 HB3 GLN A 34 8.894 0.727 7.887 1.00 0.87 H new ATOM 0 HG2 GLN A 34 8.771 2.790 9.178 1.00 1.29 H new ATOM 0 HG3 GLN A 34 10.123 2.885 8.067 1.00 1.29 H new ATOM 0 HE21 GLN A 34 9.762 4.112 5.969 1.00 1.44 H new ATOM 0 HE22 GLN A 34 8.633 5.471 6.004 1.00 1.44 H new ATOM 497 N ASN A 35 11.128 0.629 6.085 1.00 0.63 N ATOM 498 CA ASN A 35 12.570 0.475 6.009 1.00 0.73 C ATOM 499 C ASN A 35 13.024 0.595 4.567 1.00 0.72 C ATOM 500 O ASN A 35 13.979 1.309 4.271 1.00 0.82 O ATOM 501 CB ASN A 35 12.924 -0.907 6.573 1.00 0.82 C ATOM 502 CG ASN A 35 12.872 -0.931 8.094 1.00 1.15 C ATOM 503 OD1 ASN A 35 12.635 0.074 8.762 1.00 1.64 O ATOM 504 ND2 ASN A 35 13.097 -2.092 8.680 1.00 2.28 N ATOM 0 H ASN A 35 10.678 -0.200 6.473 1.00 0.63 H new ATOM 0 HA ASN A 35 13.072 1.252 6.585 1.00 0.73 H new ATOM 0 HB2 ASN A 35 12.232 -1.649 6.175 1.00 0.82 H new ATOM 0 HB3 ASN A 35 13.922 -1.190 6.240 1.00 0.82 H new ATOM 0 HD21 ASN A 35 13.075 -2.162 9.697 1.00 2.28 H new ATOM 0 HD22 ASN A 35 13.292 -2.919 8.116 1.00 2.28 H new ATOM 511 N TYR A 36 12.336 -0.079 3.653 1.00 0.65 N ATOM 512 CA TYR A 36 12.636 0.022 2.241 1.00 0.69 C ATOM 513 C TYR A 36 12.484 1.478 1.818 1.00 0.73 C ATOM 514 O TYR A 36 13.445 2.081 1.365 1.00 0.89 O ATOM 515 CB TYR A 36 11.740 -0.925 1.438 1.00 0.71 C ATOM 516 CG TYR A 36 11.919 -0.879 -0.069 1.00 0.77 C ATOM 517 CD1 TYR A 36 13.201 -0.850 -0.656 1.00 2.04 C ATOM 518 CD2 TYR A 36 10.783 -0.913 -0.894 1.00 1.92 C ATOM 519 CE1 TYR A 36 13.342 -0.905 -2.055 1.00 2.16 C ATOM 520 CE2 TYR A 36 10.930 -0.925 -2.288 1.00 2.09 C ATOM 521 CZ TYR A 36 12.202 -0.988 -2.866 1.00 1.35 C ATOM 522 OH TYR A 36 12.302 -1.006 -4.226 1.00 1.75 O ATOM 0 H TYR A 36 11.561 -0.705 3.873 1.00 0.65 H new ATOM 0 HA TYR A 36 13.662 -0.285 2.041 1.00 0.69 H new ATOM 0 HB2 TYR A 36 11.924 -1.945 1.777 1.00 0.71 H new ATOM 0 HB3 TYR A 36 10.700 -0.695 1.669 1.00 0.71 H new ATOM 0 HD1 TYR A 36 14.078 -0.785 -0.029 1.00 2.04 H new ATOM 0 HD2 TYR A 36 9.797 -0.930 -0.455 1.00 1.92 H new ATOM 0 HE1 TYR A 36 14.325 -0.883 -2.502 1.00 2.16 H new ATOM 0 HE2 TYR A 36 10.055 -0.885 -2.920 1.00 2.09 H new ATOM 0 HH TYR A 36 11.452 -1.305 -4.613 1.00 1.75 H new ATOM 532 N ALA A 37 11.308 2.069 2.013 1.00 0.66 N ATOM 533 CA ALA A 37 11.045 3.449 1.631 1.00 0.71 C ATOM 534 C ALA A 37 12.127 4.391 2.191 1.00 0.73 C ATOM 535 O ALA A 37 12.723 5.179 1.457 1.00 0.83 O ATOM 536 CB ALA A 37 9.634 3.839 2.086 1.00 0.70 C ATOM 0 H ALA A 37 10.510 1.601 2.442 1.00 0.66 H new ATOM 0 HA ALA A 37 11.089 3.545 0.546 1.00 0.71 H new ATOM 0 HB1 ALA A 37 9.433 4.872 1.802 1.00 0.70 H new ATOM 0 HB2 ALA A 37 8.904 3.183 1.611 1.00 0.70 H new ATOM 0 HB3 ALA A 37 9.560 3.740 3.169 1.00 0.70 H new ATOM 542 N ASN A 38 12.400 4.268 3.489 1.00 0.69 N ATOM 543 CA ASN A 38 13.446 4.986 4.214 1.00 0.76 C ATOM 544 C ASN A 38 14.775 4.875 3.467 1.00 0.73 C ATOM 545 O ASN A 38 15.346 5.871 3.022 1.00 0.73 O ATOM 546 CB ASN A 38 13.620 4.388 5.616 1.00 0.81 C ATOM 547 CG ASN A 38 12.674 4.893 6.698 1.00 1.16 C ATOM 548 OD1 ASN A 38 12.146 6.006 6.665 1.00 1.52 O ATOM 549 ND2 ASN A 38 12.492 4.070 7.721 1.00 1.86 N ATOM 0 H ASN A 38 11.873 3.636 4.091 1.00 0.69 H new ATOM 0 HA ASN A 38 13.153 6.033 4.292 1.00 0.76 H new ATOM 0 HB2 ASN A 38 13.505 3.307 5.541 1.00 0.81 H new ATOM 0 HB3 ASN A 38 14.642 4.578 5.942 1.00 0.81 H new ATOM 0 HD21 ASN A 38 11.904 4.353 8.505 1.00 1.86 H new ATOM 0 HD22 ASN A 38 12.940 3.154 7.724 1.00 1.86 H new ATOM 556 N SER A 39 15.288 3.652 3.336 1.00 0.80 N ATOM 557 CA SER A 39 16.585 3.399 2.725 1.00 0.86 C ATOM 558 C SER A 39 16.621 3.943 1.297 1.00 0.90 C ATOM 559 O SER A 39 17.615 4.512 0.851 1.00 1.09 O ATOM 560 CB SER A 39 16.901 1.900 2.780 1.00 0.98 C ATOM 561 OG SER A 39 15.868 1.114 2.221 1.00 1.67 O ATOM 0 H SER A 39 14.811 2.808 3.653 1.00 0.80 H new ATOM 0 HA SER A 39 17.359 3.924 3.285 1.00 0.86 H new ATOM 0 HB2 SER A 39 17.831 1.707 2.246 1.00 0.98 H new ATOM 0 HB3 SER A 39 17.061 1.602 3.816 1.00 0.98 H new ATOM 0 HG SER A 39 15.131 1.695 1.938 1.00 1.67 H new ATOM 567 N ARG A 40 15.491 3.829 0.605 1.00 0.95 N ATOM 568 CA ARG A 40 15.341 4.148 -0.798 1.00 1.14 C ATOM 569 C ARG A 40 15.346 5.664 -0.986 1.00 1.11 C ATOM 570 O ARG A 40 15.688 6.132 -2.067 1.00 1.66 O ATOM 571 CB ARG A 40 14.010 3.552 -1.273 1.00 1.53 C ATOM 572 CG ARG A 40 13.908 3.454 -2.789 1.00 1.81 C ATOM 573 CD ARG A 40 12.433 3.375 -3.203 1.00 3.15 C ATOM 574 NE ARG A 40 12.368 3.036 -4.626 1.00 3.66 N ATOM 575 CZ ARG A 40 11.879 1.880 -5.079 1.00 4.86 C ATOM 576 NH1 ARG A 40 10.821 1.320 -4.490 1.00 6.00 N ATOM 577 NH2 ARG A 40 12.505 1.272 -6.083 1.00 5.29 N ATOM 0 H ARG A 40 14.625 3.498 1.030 1.00 0.95 H new ATOM 0 HA ARG A 40 16.164 3.733 -1.379 1.00 1.14 H new ATOM 0 HB2 ARG A 40 13.889 2.558 -0.841 1.00 1.53 H new ATOM 0 HB3 ARG A 40 13.190 4.164 -0.898 1.00 1.53 H new ATOM 0 HG2 ARG A 40 14.380 4.321 -3.252 1.00 1.81 H new ATOM 0 HG3 ARG A 40 14.443 2.573 -3.143 1.00 1.81 H new ATOM 0 HD2 ARG A 40 11.913 2.623 -2.610 1.00 3.15 H new ATOM 0 HD3 ARG A 40 11.936 4.327 -3.017 1.00 3.15 H new ATOM 0 HE ARG A 40 12.713 3.716 -5.303 1.00 3.66 H new ATOM 0 HH11 ARG A 40 10.382 1.776 -3.690 1.00 6.00 H new ATOM 0 HH12 ARG A 40 10.451 0.436 -4.840 1.00 6.00 H new ATOM 0 HH21 ARG A 40 13.341 1.690 -6.491 1.00 5.29 H new ATOM 0 HH22 ARG A 40 12.149 0.387 -6.445 1.00 5.29 H new ATOM 591 N ALA A 41 14.978 6.440 0.036 1.00 1.25 N ATOM 592 CA ALA A 41 14.754 7.879 -0.065 1.00 1.20 C ATOM 593 C ALA A 41 15.944 8.712 -0.550 1.00 1.33 C ATOM 594 O ALA A 41 15.772 9.898 -0.838 1.00 1.96 O ATOM 595 CB ALA A 41 14.190 8.401 1.256 1.00 1.36 C ATOM 0 H ALA A 41 14.825 6.075 0.976 1.00 1.25 H new ATOM 0 HA ALA A 41 14.026 8.009 -0.865 1.00 1.20 H new ATOM 0 HB1 ALA A 41 14.023 9.475 1.181 1.00 1.36 H new ATOM 0 HB2 ALA A 41 13.246 7.901 1.471 1.00 1.36 H new ATOM 0 HB3 ALA A 41 14.899 8.199 2.059 1.00 1.36 H new ATOM 601 N GLY A 42 17.126 8.117 -0.691 1.00 1.57 N ATOM 602 CA GLY A 42 18.200 8.723 -1.452 1.00 1.64 C ATOM 603 C GLY A 42 17.800 8.858 -2.918 1.00 1.45 C ATOM 604 O GLY A 42 17.813 9.956 -3.486 1.00 1.62 O ATOM 0 H GLY A 42 17.359 7.211 -0.284 1.00 1.57 H new ATOM 0 HA2 GLY A 42 18.437 9.704 -1.041 1.00 1.64 H new ATOM 0 HA3 GLY A 42 19.101 8.116 -1.368 1.00 1.64 H new ATOM 608 N ASP A 43 17.446 7.732 -3.537 1.00 1.35 N ATOM 609 CA ASP A 43 17.299 7.589 -4.985 1.00 1.47 C ATOM 610 C ASP A 43 15.825 7.571 -5.354 1.00 1.42 C ATOM 611 O ASP A 43 15.385 8.335 -6.205 1.00 2.12 O ATOM 612 CB ASP A 43 18.086 6.377 -5.514 1.00 1.80 C ATOM 613 CG ASP A 43 17.290 5.095 -5.673 1.00 2.64 C ATOM 614 OD1 ASP A 43 16.375 5.061 -6.521 1.00 3.40 O ATOM 615 OD2 ASP A 43 17.671 4.103 -5.019 1.00 3.89 O ATOM 0 H ASP A 43 17.248 6.869 -3.030 1.00 1.35 H new ATOM 0 HA ASP A 43 17.740 8.453 -5.482 1.00 1.47 H new ATOM 0 HB2 ASP A 43 18.515 6.639 -6.481 1.00 1.80 H new ATOM 0 HB3 ASP A 43 18.919 6.184 -4.838 1.00 1.80 H new ATOM 620 N CYS A 44 15.060 6.752 -4.641 1.00 1.35 N ATOM 621 CA CYS A 44 13.612 6.793 -4.607 1.00 1.23 C ATOM 622 C CYS A 44 12.954 6.701 -5.978 1.00 1.10 C ATOM 623 O CYS A 44 11.844 7.190 -6.179 1.00 1.69 O ATOM 624 CB CYS A 44 13.182 8.026 -3.831 1.00 1.62 C ATOM 625 SG CYS A 44 11.484 7.902 -3.273 1.00 1.78 S ATOM 0 H CYS A 44 15.450 6.017 -4.051 1.00 1.35 H new ATOM 0 HA CYS A 44 13.260 5.897 -4.096 1.00 1.23 H new ATOM 0 HB2 CYS A 44 13.838 8.162 -2.971 1.00 1.62 H new ATOM 0 HB3 CYS A 44 13.294 8.909 -4.460 1.00 1.62 H new ATOM 630 N ASN A 45 13.616 6.051 -6.935 1.00 1.37 N ATOM 631 CA ASN A 45 13.031 5.912 -8.257 1.00 1.68 C ATOM 632 C ASN A 45 11.920 4.871 -8.230 1.00 1.48 C ATOM 633 O ASN A 45 11.988 3.876 -7.505 1.00 2.07 O ATOM 634 CB ASN A 45 14.083 5.535 -9.313 1.00 2.33 C ATOM 635 CG ASN A 45 14.604 6.745 -10.077 1.00 3.30 C ATOM 636 OD1 ASN A 45 13.832 7.623 -10.463 1.00 4.11 O ATOM 637 ND2 ASN A 45 15.902 6.794 -10.332 1.00 3.88 N ATOM 0 H ASN A 45 14.535 5.624 -6.820 1.00 1.37 H new ATOM 0 HA ASN A 45 12.616 6.880 -8.537 1.00 1.68 H new ATOM 0 HB2 ASN A 45 14.917 5.031 -8.826 1.00 2.33 H new ATOM 0 HB3 ASN A 45 13.648 4.825 -10.017 1.00 2.33 H new ATOM 0 HD21 ASN A 45 16.288 7.575 -10.862 1.00 3.88 H new ATOM 0 HD22 ASN A 45 16.516 6.051 -9.998 1.00 3.88 H new ATOM 644 N LEU A 46 10.912 5.041 -9.083 1.00 1.57 N ATOM 645 CA LEU A 46 9.998 3.961 -9.411 1.00 1.54 C ATOM 646 C LEU A 46 10.765 2.932 -10.247 1.00 1.97 C ATOM 647 O LEU A 46 10.611 2.862 -11.464 1.00 2.51 O ATOM 648 CB LEU A 46 8.772 4.509 -10.158 1.00 1.61 C ATOM 649 CG LEU A 46 7.850 5.382 -9.288 1.00 1.29 C ATOM 650 CD1 LEU A 46 6.806 6.049 -10.188 1.00 1.74 C ATOM 651 CD2 LEU A 46 7.108 4.555 -8.232 1.00 1.23 C ATOM 0 H LEU A 46 10.711 5.921 -9.558 1.00 1.57 H new ATOM 0 HA LEU A 46 9.625 3.480 -8.507 1.00 1.54 H new ATOM 0 HB2 LEU A 46 9.111 5.095 -11.012 1.00 1.61 H new ATOM 0 HB3 LEU A 46 8.196 3.672 -10.554 1.00 1.61 H new ATOM 0 HG LEU A 46 8.472 6.118 -8.779 1.00 1.29 H new ATOM 0 HD11 LEU A 46 6.147 6.670 -9.582 1.00 1.74 H new ATOM 0 HD12 LEU A 46 7.308 6.669 -10.930 1.00 1.74 H new ATOM 0 HD13 LEU A 46 6.219 5.283 -10.694 1.00 1.74 H new ATOM 0 HD21 LEU A 46 6.469 5.210 -7.640 1.00 1.23 H new ATOM 0 HD22 LEU A 46 6.496 3.800 -8.725 1.00 1.23 H new ATOM 0 HD23 LEU A 46 7.831 4.066 -7.579 1.00 1.23 H new ATOM 718 N ALA A 51 7.896 -8.691 -6.629 1.00 1.64 N ATOM 719 CA ALA A 51 6.661 -9.121 -7.263 1.00 1.36 C ATOM 720 C ALA A 51 5.506 -9.122 -6.260 1.00 1.22 C ATOM 721 O ALA A 51 4.561 -9.883 -6.416 1.00 2.66 O ATOM 722 CB ALA A 51 6.857 -10.511 -7.882 1.00 1.90 C ATOM 0 HA ALA A 51 6.405 -8.418 -8.056 1.00 1.36 H new ATOM 0 HB1 ALA A 51 5.930 -10.832 -8.357 1.00 1.90 H new ATOM 0 HB2 ALA A 51 7.651 -10.469 -8.628 1.00 1.90 H new ATOM 0 HB3 ALA A 51 7.130 -11.222 -7.102 1.00 1.90 H new ATOM 728 N GLY A 52 5.572 -8.301 -5.217 1.00 1.07 N ATOM 729 CA GLY A 52 4.594 -8.261 -4.142 1.00 0.70 C ATOM 730 C GLY A 52 4.535 -6.855 -3.561 1.00 0.69 C ATOM 731 O GLY A 52 4.583 -6.685 -2.344 1.00 1.53 O ATOM 0 H GLY A 52 6.329 -7.628 -5.095 1.00 1.07 H new ATOM 0 HA2 GLY A 52 3.613 -8.552 -4.518 1.00 0.70 H new ATOM 0 HA3 GLY A 52 4.863 -8.976 -3.365 1.00 0.70 H new ATOM 735 N GLU A 53 4.474 -5.840 -4.429 1.00 0.73 N ATOM 736 CA GLU A 53 4.458 -4.438 -4.033 1.00 0.71 C ATOM 737 C GLU A 53 3.806 -3.583 -5.126 1.00 0.73 C ATOM 738 O GLU A 53 4.053 -3.806 -6.312 1.00 0.99 O ATOM 739 CB GLU A 53 5.892 -3.981 -3.741 1.00 0.78 C ATOM 740 CG GLU A 53 5.947 -2.951 -2.609 1.00 1.80 C ATOM 741 CD GLU A 53 7.367 -2.498 -2.363 1.00 2.55 C ATOM 742 OE1 GLU A 53 8.127 -3.253 -1.724 1.00 2.79 O ATOM 743 OE2 GLU A 53 7.701 -1.413 -2.872 1.00 3.81 O ATOM 0 H GLU A 53 4.434 -5.977 -5.439 1.00 0.73 H new ATOM 0 HA GLU A 53 3.864 -4.316 -3.127 1.00 0.71 H new ATOM 0 HB2 GLU A 53 6.501 -4.845 -3.475 1.00 0.78 H new ATOM 0 HB3 GLU A 53 6.326 -3.551 -4.644 1.00 0.78 H new ATOM 0 HG2 GLU A 53 5.326 -2.092 -2.862 1.00 1.80 H new ATOM 0 HG3 GLU A 53 5.536 -3.384 -1.697 1.00 1.80 H new ATOM 750 N ASN A 54 3.008 -2.593 -4.732 1.00 0.74 N ATOM 751 CA ASN A 54 2.499 -1.513 -5.578 1.00 0.77 C ATOM 752 C ASN A 54 3.251 -0.269 -5.110 1.00 0.65 C ATOM 753 O ASN A 54 3.312 -0.046 -3.901 1.00 0.84 O ATOM 754 CB ASN A 54 1.001 -1.290 -5.314 1.00 1.00 C ATOM 755 CG ASN A 54 0.080 -2.169 -6.152 1.00 1.31 C ATOM 756 OD1 ASN A 54 0.336 -2.409 -7.325 1.00 2.83 O ATOM 757 ND2 ASN A 54 -1.026 -2.636 -5.589 1.00 1.35 N ATOM 0 H ASN A 54 2.683 -2.517 -3.768 1.00 0.74 H new ATOM 0 HA ASN A 54 2.633 -1.735 -6.637 1.00 0.77 H new ATOM 0 HB2 ASN A 54 0.798 -1.474 -4.259 1.00 1.00 H new ATOM 0 HB3 ASN A 54 0.761 -0.244 -5.507 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -1.676 -3.203 -6.134 1.00 1.35 H new ATOM 0 HD22 ASN A 54 -1.227 -2.429 -4.611 1.00 1.35 H new ATOM 764 N LEU A 55 3.824 0.526 -6.021 1.00 0.59 N ATOM 765 CA LEU A 55 4.530 1.758 -5.665 1.00 0.62 C ATOM 766 C LEU A 55 3.686 2.980 -6.015 1.00 0.53 C ATOM 767 O LEU A 55 2.820 2.889 -6.890 1.00 0.54 O ATOM 768 CB LEU A 55 5.862 1.880 -6.426 1.00 0.81 C ATOM 769 CG LEU A 55 6.865 0.742 -6.215 1.00 0.85 C ATOM 770 CD1 LEU A 55 8.063 0.905 -7.160 1.00 1.04 C ATOM 771 CD2 LEU A 55 7.357 0.782 -4.775 1.00 1.01 C ATOM 0 H LEU A 55 3.810 0.333 -7.022 1.00 0.59 H new ATOM 0 HA LEU A 55 4.718 1.715 -4.592 1.00 0.62 H new ATOM 0 HB2 LEU A 55 5.643 1.951 -7.491 1.00 0.81 H new ATOM 0 HB3 LEU A 55 6.339 2.816 -6.135 1.00 0.81 H new ATOM 0 HG LEU A 55 6.377 -0.210 -6.424 1.00 0.85 H new ATOM 0 HD11 LEU A 55 8.767 0.089 -6.999 1.00 1.04 H new ATOM 0 HD12 LEU A 55 7.717 0.886 -8.193 1.00 1.04 H new ATOM 0 HD13 LEU A 55 8.557 1.856 -6.960 1.00 1.04 H new ATOM 0 HD21 LEU A 55 8.072 -0.024 -4.612 1.00 1.01 H new ATOM 0 HD22 LEU A 55 7.840 1.740 -4.582 1.00 1.01 H new ATOM 0 HD23 LEU A 55 6.512 0.659 -4.098 1.00 1.01 H new ATOM 783 N ALA A 56 4.001 4.132 -5.422 1.00 0.57 N ATOM 784 CA ALA A 56 3.576 5.439 -5.902 1.00 0.64 C ATOM 785 C ALA A 56 4.583 6.503 -5.468 1.00 0.64 C ATOM 786 O ALA A 56 5.378 6.250 -4.568 1.00 0.91 O ATOM 787 CB ALA A 56 2.193 5.775 -5.354 1.00 0.73 C ATOM 0 H ALA A 56 4.571 4.179 -4.577 1.00 0.57 H new ATOM 0 HA ALA A 56 3.527 5.418 -6.991 1.00 0.64 H new ATOM 0 HB1 ALA A 56 1.885 6.755 -5.719 1.00 0.73 H new ATOM 0 HB2 ALA A 56 1.478 5.023 -5.686 1.00 0.73 H new ATOM 0 HB3 ALA A 56 2.227 5.788 -4.265 1.00 0.73 H new ATOM 793 N LYS A 57 4.512 7.682 -6.086 1.00 0.65 N ATOM 794 CA LYS A 57 5.265 8.889 -5.757 1.00 0.68 C ATOM 795 C LYS A 57 4.302 10.056 -5.954 1.00 0.88 C ATOM 796 O LYS A 57 3.380 9.908 -6.757 1.00 1.24 O ATOM 797 CB LYS A 57 6.503 8.999 -6.672 1.00 0.94 C ATOM 798 CG LYS A 57 6.190 9.144 -8.171 1.00 1.32 C ATOM 799 CD LYS A 57 5.988 10.595 -8.650 1.00 2.14 C ATOM 800 CE LYS A 57 7.307 11.311 -8.981 1.00 2.83 C ATOM 801 NZ LYS A 57 7.073 12.516 -9.804 1.00 3.80 N ATOM 0 H LYS A 57 3.887 7.827 -6.879 1.00 0.65 H new ATOM 0 HA LYS A 57 5.638 8.879 -4.733 1.00 0.68 H new ATOM 0 HB2 LYS A 57 7.096 9.857 -6.355 1.00 0.94 H new ATOM 0 HB3 LYS A 57 7.122 8.113 -6.529 1.00 0.94 H new ATOM 0 HG2 LYS A 57 7.003 8.697 -8.743 1.00 1.32 H new ATOM 0 HG3 LYS A 57 5.290 8.573 -8.397 1.00 1.32 H new ATOM 0 HD2 LYS A 57 5.351 10.594 -9.534 1.00 2.14 H new ATOM 0 HD3 LYS A 57 5.461 11.156 -7.878 1.00 2.14 H new ATOM 0 HE2 LYS A 57 7.812 11.592 -8.057 1.00 2.83 H new ATOM 0 HE3 LYS A 57 7.970 10.628 -9.512 1.00 2.83 H new ATOM 0 HZ1 LYS A 57 7.415 12.347 -10.772 1.00 3.80 H new ATOM 0 HZ2 LYS A 57 6.055 12.727 -9.829 1.00 3.80 H new ATOM 0 HZ3 LYS A 57 7.584 13.323 -9.392 1.00 3.80 H new ATOM 815 N GLY A 58 4.502 11.201 -5.307 1.00 0.86 N ATOM 816 CA GLY A 58 3.668 12.374 -5.551 1.00 1.15 C ATOM 817 C GLY A 58 3.885 13.418 -4.462 1.00 0.88 C ATOM 818 O GLY A 58 4.007 13.053 -3.296 1.00 2.22 O ATOM 0 H GLY A 58 5.234 11.341 -4.610 1.00 0.86 H new ATOM 0 HA2 GLY A 58 3.906 12.801 -6.525 1.00 1.15 H new ATOM 0 HA3 GLY A 58 2.618 12.082 -5.579 1.00 1.15 H new ATOM 822 N GLY A 59 3.990 14.700 -4.814 1.00 1.33 N ATOM 823 CA GLY A 59 4.287 15.768 -3.868 1.00 1.27 C ATOM 824 C GLY A 59 3.143 16.773 -3.807 1.00 1.53 C ATOM 825 O GLY A 59 2.726 17.295 -4.838 1.00 3.30 O ATOM 0 H GLY A 59 3.870 15.026 -5.773 1.00 1.33 H new ATOM 0 HA2 GLY A 59 4.458 15.345 -2.878 1.00 1.27 H new ATOM 0 HA3 GLY A 59 5.206 16.275 -4.162 1.00 1.27 H new ATOM 829 N GLY A 60 2.674 17.061 -2.594 1.00 1.15 N ATOM 830 CA GLY A 60 1.471 17.826 -2.313 1.00 1.66 C ATOM 831 C GLY A 60 0.626 16.963 -1.381 1.00 1.75 C ATOM 832 O GLY A 60 1.174 16.093 -0.691 1.00 1.88 O ATOM 0 H GLY A 60 3.147 16.751 -1.745 1.00 1.15 H new ATOM 0 HA2 GLY A 60 1.716 18.779 -1.845 1.00 1.66 H new ATOM 0 HA3 GLY A 60 0.930 18.052 -3.232 1.00 1.66 H new ATOM 836 N ASP A 61 -0.689 17.164 -1.336 1.00 2.55 N ATOM 837 CA ASP A 61 -1.611 16.354 -0.547 1.00 2.83 C ATOM 838 C ASP A 61 -1.869 14.996 -1.200 1.00 2.57 C ATOM 839 O ASP A 61 -3.004 14.522 -1.250 1.00 2.92 O ATOM 840 CB ASP A 61 -2.916 17.110 -0.243 1.00 3.47 C ATOM 841 CG ASP A 61 -3.810 17.357 -1.446 1.00 3.71 C ATOM 842 OD1 ASP A 61 -3.455 18.239 -2.253 1.00 4.23 O ATOM 843 OD2 ASP A 61 -4.888 16.731 -1.544 1.00 4.24 O ATOM 0 H ASP A 61 -1.151 17.909 -1.857 1.00 2.55 H new ATOM 0 HA ASP A 61 -1.132 16.157 0.412 1.00 2.83 H new ATOM 0 HB2 ASP A 61 -3.480 16.546 0.500 1.00 3.47 H new ATOM 0 HB3 ASP A 61 -2.665 18.070 0.208 1.00 3.47 H new ATOM 848 N PHE A 62 -0.818 14.323 -1.658 1.00 2.09 N ATOM 849 CA PHE A 62 -0.927 12.968 -2.154 1.00 1.64 C ATOM 850 C PHE A 62 -0.967 12.074 -0.927 1.00 1.39 C ATOM 851 O PHE A 62 0.033 12.012 -0.215 1.00 1.62 O ATOM 852 CB PHE A 62 0.285 12.629 -3.029 1.00 1.44 C ATOM 853 CG PHE A 62 0.274 11.208 -3.554 1.00 0.97 C ATOM 854 CD1 PHE A 62 -0.921 10.651 -4.049 1.00 1.66 C ATOM 855 CD2 PHE A 62 1.434 10.417 -3.477 1.00 1.74 C ATOM 856 CE1 PHE A 62 -0.971 9.299 -4.412 1.00 1.54 C ATOM 857 CE2 PHE A 62 1.398 9.076 -3.890 1.00 2.01 C ATOM 858 CZ PHE A 62 0.192 8.516 -4.346 1.00 1.24 C ATOM 0 H PHE A 62 0.127 14.706 -1.693 1.00 2.09 H new ATOM 0 HA PHE A 62 -1.817 12.834 -2.769 1.00 1.64 H new ATOM 0 HB2 PHE A 62 0.319 13.319 -3.872 1.00 1.44 H new ATOM 0 HB3 PHE A 62 1.196 12.787 -2.451 1.00 1.44 H new ATOM 0 HD1 PHE A 62 -1.802 11.268 -4.149 1.00 1.66 H new ATOM 0 HD2 PHE A 62 2.353 10.841 -3.100 1.00 1.74 H new ATOM 0 HE1 PHE A 62 -1.901 8.861 -4.742 1.00 1.54 H new ATOM 0 HE2 PHE A 62 2.295 8.476 -3.857 1.00 2.01 H new ATOM 0 HZ PHE A 62 0.160 7.479 -4.647 1.00 1.24 H new ATOM 868 N THR A 63 -2.101 11.451 -0.618 1.00 1.39 N ATOM 869 CA THR A 63 -2.246 10.623 0.570 1.00 1.09 C ATOM 870 C THR A 63 -2.062 9.140 0.212 1.00 1.14 C ATOM 871 O THR A 63 -2.123 8.759 -0.955 1.00 1.86 O ATOM 872 CB THR A 63 -3.609 10.915 1.205 1.00 0.80 C ATOM 873 OG1 THR A 63 -4.657 10.612 0.303 1.00 0.95 O ATOM 874 CG2 THR A 63 -3.718 12.365 1.691 1.00 1.01 C ATOM 0 H THR A 63 -2.945 11.508 -1.187 1.00 1.39 H new ATOM 0 HA THR A 63 -1.473 10.860 1.301 1.00 1.09 H new ATOM 0 HB THR A 63 -3.702 10.271 2.079 1.00 0.80 H new ATOM 0 HG1 THR A 63 -5.471 11.083 0.578 1.00 0.95 H new ATOM 0 HG21 THR A 63 -4.701 12.527 2.134 1.00 1.01 H new ATOM 0 HG22 THR A 63 -2.947 12.558 2.437 1.00 1.01 H new ATOM 0 HG23 THR A 63 -3.584 13.042 0.848 1.00 1.01 H new ATOM 882 N GLY A 64 -1.844 8.268 1.198 1.00 0.73 N ATOM 883 CA GLY A 64 -1.742 6.837 0.930 1.00 0.68 C ATOM 884 C GLY A 64 -3.103 6.272 0.503 1.00 0.50 C ATOM 885 O GLY A 64 -3.172 5.446 -0.403 1.00 0.48 O ATOM 0 H GLY A 64 -1.736 8.526 2.179 1.00 0.73 H new ATOM 0 HA2 GLY A 64 -1.006 6.659 0.146 1.00 0.68 H new ATOM 0 HA3 GLY A 64 -1.390 6.318 1.822 1.00 0.68 H new ATOM 889 N ARG A 65 -4.201 6.734 1.115 1.00 0.44 N ATOM 890 CA ARG A 65 -5.552 6.368 0.688 1.00 0.38 C ATOM 891 C ARG A 65 -5.715 6.737 -0.785 1.00 0.42 C ATOM 892 O ARG A 65 -6.146 5.907 -1.585 1.00 0.45 O ATOM 893 CB ARG A 65 -6.593 7.055 1.590 1.00 0.44 C ATOM 894 CG ARG A 65 -7.957 6.360 1.723 1.00 0.90 C ATOM 895 CD ARG A 65 -9.036 6.918 0.785 1.00 1.58 C ATOM 896 NE ARG A 65 -10.281 6.129 0.862 1.00 1.98 N ATOM 897 CZ ARG A 65 -11.253 6.235 1.787 1.00 2.19 C ATOM 898 NH1 ARG A 65 -11.212 7.142 2.761 1.00 2.75 N ATOM 899 NH2 ARG A 65 -12.274 5.389 1.769 1.00 2.99 N ATOM 0 H ARG A 65 -4.176 7.367 1.914 1.00 0.44 H new ATOM 0 HA ARG A 65 -5.712 5.294 0.787 1.00 0.38 H new ATOM 0 HB2 ARG A 65 -6.165 7.157 2.587 1.00 0.44 H new ATOM 0 HB3 ARG A 65 -6.760 8.063 1.210 1.00 0.44 H new ATOM 0 HG2 ARG A 65 -7.832 5.296 1.524 1.00 0.90 H new ATOM 0 HG3 ARG A 65 -8.302 6.453 2.753 1.00 0.90 H new ATOM 0 HD2 ARG A 65 -9.245 7.956 1.046 1.00 1.58 H new ATOM 0 HD3 ARG A 65 -8.665 6.915 -0.240 1.00 1.58 H new ATOM 0 HE ARG A 65 -10.420 5.427 0.135 1.00 1.98 H new ATOM 0 HH11 ARG A 65 -10.425 7.787 2.824 1.00 2.75 H new ATOM 0 HH12 ARG A 65 -11.968 7.192 3.444 1.00 2.75 H new ATOM 0 HH21 ARG A 65 -12.321 4.661 1.056 1.00 2.99 H new ATOM 0 HH22 ARG A 65 -13.013 5.466 2.468 1.00 2.99 H new ATOM 913 N ALA A 66 -5.331 7.964 -1.151 1.00 0.48 N ATOM 914 CA ALA A 66 -5.289 8.372 -2.546 1.00 0.54 C ATOM 915 C ALA A 66 -4.398 7.445 -3.365 1.00 0.53 C ATOM 916 O ALA A 66 -4.763 7.112 -4.479 1.00 0.57 O ATOM 917 CB ALA A 66 -4.802 9.808 -2.695 1.00 0.64 C ATOM 0 H ALA A 66 -5.045 8.689 -0.493 1.00 0.48 H new ATOM 0 HA ALA A 66 -6.309 8.309 -2.924 1.00 0.54 H new ATOM 0 HB1 ALA A 66 -4.784 10.078 -3.751 1.00 0.64 H new ATOM 0 HB2 ALA A 66 -5.476 10.478 -2.161 1.00 0.64 H new ATOM 0 HB3 ALA A 66 -3.798 9.897 -2.280 1.00 0.64 H new ATOM 923 N ALA A 67 -3.241 7.022 -2.856 1.00 0.53 N ATOM 924 CA ALA A 67 -2.370 6.118 -3.593 1.00 0.59 C ATOM 925 C ALA A 67 -3.140 4.863 -3.987 1.00 0.55 C ATOM 926 O ALA A 67 -3.266 4.570 -5.174 1.00 0.67 O ATOM 927 CB ALA A 67 -1.101 5.784 -2.798 1.00 0.63 C ATOM 0 H ALA A 67 -2.889 7.292 -1.938 1.00 0.53 H new ATOM 0 HA ALA A 67 -2.041 6.618 -4.504 1.00 0.59 H new ATOM 0 HB1 ALA A 67 -0.475 5.107 -3.379 1.00 0.63 H new ATOM 0 HB2 ALA A 67 -0.549 6.701 -2.591 1.00 0.63 H new ATOM 0 HB3 ALA A 67 -1.376 5.306 -1.858 1.00 0.63 H new ATOM 933 N VAL A 68 -3.697 4.143 -3.013 1.00 0.43 N ATOM 934 CA VAL A 68 -4.454 2.937 -3.333 1.00 0.39 C ATOM 935 C VAL A 68 -5.570 3.279 -4.314 1.00 0.36 C ATOM 936 O VAL A 68 -5.734 2.624 -5.339 1.00 0.42 O ATOM 937 CB VAL A 68 -5.025 2.244 -2.089 1.00 0.38 C ATOM 938 CG1 VAL A 68 -5.560 0.860 -2.490 1.00 0.39 C ATOM 939 CG2 VAL A 68 -3.956 2.061 -1.017 1.00 0.46 C ATOM 0 H VAL A 68 -3.640 4.368 -2.020 1.00 0.43 H new ATOM 0 HA VAL A 68 -3.762 2.229 -3.790 1.00 0.39 H new ATOM 0 HB VAL A 68 -5.821 2.869 -1.684 1.00 0.38 H new ATOM 0 HG11 VAL A 68 -5.968 0.359 -1.612 1.00 0.39 H new ATOM 0 HG12 VAL A 68 -6.344 0.976 -3.239 1.00 0.39 H new ATOM 0 HG13 VAL A 68 -4.748 0.262 -2.904 1.00 0.39 H new ATOM 0 HG21 VAL A 68 -4.392 1.567 -0.149 1.00 0.46 H new ATOM 0 HG22 VAL A 68 -3.145 1.450 -1.413 1.00 0.46 H new ATOM 0 HG23 VAL A 68 -3.566 3.035 -0.722 1.00 0.46 H new ATOM 949 N GLN A 69 -6.330 4.323 -4.008 1.00 0.37 N ATOM 950 CA GLN A 69 -7.408 4.782 -4.860 1.00 0.50 C ATOM 951 C GLN A 69 -6.924 5.087 -6.276 1.00 0.64 C ATOM 952 O GLN A 69 -7.673 4.848 -7.220 1.00 0.73 O ATOM 953 CB GLN A 69 -8.054 6.010 -4.212 1.00 0.61 C ATOM 954 CG GLN A 69 -8.968 5.600 -3.055 1.00 0.67 C ATOM 955 CD GLN A 69 -10.334 5.127 -3.533 1.00 1.70 C ATOM 956 OE1 GLN A 69 -10.458 4.062 -4.132 1.00 3.04 O ATOM 957 NE2 GLN A 69 -11.369 5.911 -3.279 1.00 2.16 N ATOM 0 H GLN A 69 -6.212 4.874 -3.158 1.00 0.37 H new ATOM 0 HA GLN A 69 -8.149 3.988 -4.957 1.00 0.50 H new ATOM 0 HB2 GLN A 69 -7.279 6.684 -3.847 1.00 0.61 H new ATOM 0 HB3 GLN A 69 -8.629 6.560 -4.958 1.00 0.61 H new ATOM 0 HG2 GLN A 69 -8.491 4.804 -2.483 1.00 0.67 H new ATOM 0 HG3 GLN A 69 -9.095 6.446 -2.379 1.00 0.67 H new ATOM 0 HE21 GLN A 69 -11.233 6.790 -2.779 1.00 2.16 H new ATOM 0 HE22 GLN A 69 -12.303 5.637 -3.583 1.00 2.16 H new ATOM 966 N LEU A 70 -5.708 5.609 -6.431 1.00 0.74 N ATOM 967 CA LEU A 70 -5.176 6.062 -7.700 1.00 1.00 C ATOM 968 C LEU A 70 -4.786 4.814 -8.489 1.00 0.96 C ATOM 969 O LEU A 70 -4.918 4.765 -9.712 1.00 1.08 O ATOM 970 CB LEU A 70 -3.997 7.010 -7.442 1.00 1.29 C ATOM 971 CG LEU A 70 -3.134 7.321 -8.671 1.00 1.63 C ATOM 972 CD1 LEU A 70 -3.979 8.073 -9.706 1.00 3.00 C ATOM 973 CD2 LEU A 70 -1.963 8.207 -8.231 1.00 2.25 C ATOM 0 H LEU A 70 -5.056 5.728 -5.655 1.00 0.74 H new ATOM 0 HA LEU A 70 -5.902 6.628 -8.283 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.385 7.947 -7.042 1.00 1.29 H new ATOM 0 HB3 LEU A 70 -3.361 6.574 -6.671 1.00 1.29 H new ATOM 0 HG LEU A 70 -2.760 6.397 -9.112 1.00 1.63 H new ATOM 0 HD11 LEU A 70 -3.369 8.296 -10.581 1.00 3.00 H new ATOM 0 HD12 LEU A 70 -4.826 7.455 -10.002 1.00 3.00 H new ATOM 0 HD13 LEU A 70 -4.343 9.004 -9.271 1.00 3.00 H new ATOM 0 HD21 LEU A 70 -1.338 8.438 -9.093 1.00 2.25 H new ATOM 0 HD22 LEU A 70 -2.348 9.133 -7.803 1.00 2.25 H new ATOM 0 HD23 LEU A 70 -1.369 7.681 -7.483 1.00 2.25 H new ATOM 985 N TRP A 71 -4.324 3.777 -7.787 1.00 0.89 N ATOM 986 CA TRP A 71 -4.098 2.477 -8.391 1.00 0.99 C ATOM 987 C TRP A 71 -5.443 1.962 -8.904 1.00 1.00 C ATOM 988 O TRP A 71 -5.632 1.791 -10.105 1.00 1.55 O ATOM 989 CB TRP A 71 -3.400 1.509 -7.422 1.00 0.99 C ATOM 990 CG TRP A 71 -2.199 2.051 -6.706 1.00 0.93 C ATOM 991 CD1 TRP A 71 -1.513 3.162 -7.051 1.00 1.01 C ATOM 992 CD2 TRP A 71 -1.605 1.597 -5.450 1.00 0.82 C ATOM 993 NE1 TRP A 71 -0.629 3.480 -6.051 1.00 0.86 N ATOM 994 CE2 TRP A 71 -0.589 2.520 -5.063 1.00 0.72 C ATOM 995 CE3 TRP A 71 -1.854 0.519 -4.577 1.00 0.89 C ATOM 996 CZ2 TRP A 71 0.157 2.365 -3.881 1.00 0.63 C ATOM 997 CZ3 TRP A 71 -1.145 0.377 -3.370 1.00 0.87 C ATOM 998 CH2 TRP A 71 -0.126 1.284 -3.033 1.00 0.75 C ATOM 0 H TRP A 71 -4.100 3.821 -6.793 1.00 0.89 H new ATOM 0 HA TRP A 71 -3.410 2.561 -9.232 1.00 0.99 H new ATOM 0 HB2 TRP A 71 -4.127 1.184 -6.677 1.00 0.99 H new ATOM 0 HB3 TRP A 71 -3.097 0.623 -7.980 1.00 0.99 H new ATOM 0 HD1 TRP A 71 -1.640 3.714 -7.971 1.00 1.01 H new ATOM 0 HE1 TRP A 71 -0.066 4.330 -6.040 1.00 0.86 H new ATOM 0 HE3 TRP A 71 -2.604 -0.213 -4.840 1.00 0.89 H new ATOM 0 HZ2 TRP A 71 0.937 3.068 -3.630 1.00 0.63 H new ATOM 0 HZ3 TRP A 71 -1.385 -0.434 -2.698 1.00 0.87 H new ATOM 0 HH2 TRP A 71 0.439 1.149 -2.122 1.00 0.75 H new ATOM 1009 N VAL A 72 -6.407 1.836 -7.992 1.00 0.55 N ATOM 1010 CA VAL A 72 -7.778 1.422 -8.266 1.00 0.49 C ATOM 1011 C VAL A 72 -8.503 2.405 -9.197 1.00 0.58 C ATOM 1012 O VAL A 72 -9.629 2.140 -9.601 1.00 0.74 O ATOM 1013 CB VAL A 72 -8.518 1.202 -6.927 1.00 0.48 C ATOM 1014 CG1 VAL A 72 -9.984 0.764 -7.076 1.00 0.52 C ATOM 1015 CG2 VAL A 72 -7.816 0.110 -6.108 1.00 0.71 C ATOM 0 H VAL A 72 -6.245 2.028 -7.003 1.00 0.55 H new ATOM 0 HA VAL A 72 -7.765 0.476 -8.808 1.00 0.49 H new ATOM 0 HB VAL A 72 -8.498 2.176 -6.437 1.00 0.48 H new ATOM 0 HG11 VAL A 72 -10.427 0.633 -6.089 1.00 0.52 H new ATOM 0 HG12 VAL A 72 -10.538 1.527 -7.623 1.00 0.52 H new ATOM 0 HG13 VAL A 72 -10.028 -0.178 -7.622 1.00 0.52 H new ATOM 0 HG21 VAL A 72 -8.346 -0.036 -5.167 1.00 0.71 H new ATOM 0 HG22 VAL A 72 -7.814 -0.823 -6.672 1.00 0.71 H new ATOM 0 HG23 VAL A 72 -6.789 0.413 -5.903 1.00 0.71 H new ATOM 1025 N SER A 73 -7.887 3.514 -9.609 1.00 0.71 N ATOM 1026 CA SER A 73 -8.450 4.350 -10.654 1.00 0.90 C ATOM 1027 C SER A 73 -8.500 3.579 -11.985 1.00 0.85 C ATOM 1028 O SER A 73 -9.214 3.976 -12.903 1.00 0.93 O ATOM 1029 CB SER A 73 -7.679 5.674 -10.751 1.00 1.25 C ATOM 1030 OG SER A 73 -8.488 6.712 -11.270 1.00 2.48 O ATOM 0 H SER A 73 -7.000 3.848 -9.232 1.00 0.71 H new ATOM 0 HA SER A 73 -9.479 4.607 -10.404 1.00 0.90 H new ATOM 0 HB2 SER A 73 -7.314 5.956 -9.763 1.00 1.25 H new ATOM 0 HB3 SER A 73 -6.805 5.541 -11.388 1.00 1.25 H new ATOM 0 HG SER A 73 -7.967 7.541 -11.317 1.00 2.48 H new ATOM 1036 N GLU A 74 -7.777 2.458 -12.083 1.00 0.84 N ATOM 1037 CA GLU A 74 -7.935 1.426 -13.094 1.00 0.85 C ATOM 1038 C GLU A 74 -9.189 0.545 -12.916 1.00 0.72 C ATOM 1039 O GLU A 74 -9.378 -0.432 -13.635 1.00 0.88 O ATOM 1040 CB GLU A 74 -6.567 0.735 -13.222 1.00 1.12 C ATOM 1041 CG GLU A 74 -6.432 -0.633 -12.541 1.00 2.00 C ATOM 1042 CD GLU A 74 -4.979 -1.054 -12.427 1.00 2.81 C ATOM 1043 OE1 GLU A 74 -4.142 -0.154 -12.231 1.00 3.29 O ATOM 1044 OE2 GLU A 74 -4.671 -2.264 -12.498 1.00 4.09 O ATOM 0 H GLU A 74 -7.030 2.242 -11.422 1.00 0.84 H new ATOM 0 HA GLU A 74 -8.184 1.842 -14.070 1.00 0.85 H new ATOM 0 HB2 GLU A 74 -6.342 0.614 -14.282 1.00 1.12 H new ATOM 0 HB3 GLU A 74 -5.808 1.399 -12.809 1.00 1.12 H new ATOM 0 HG2 GLU A 74 -6.880 -0.592 -11.548 1.00 2.00 H new ATOM 0 HG3 GLU A 74 -6.985 -1.380 -13.110 1.00 2.00 H new ATOM 1051 N ARG A 75 -10.086 0.917 -11.995 1.00 0.78 N ATOM 1052 CA ARG A 75 -11.412 0.338 -11.819 1.00 0.93 C ATOM 1053 C ARG A 75 -12.079 -0.007 -13.155 1.00 1.07 C ATOM 1054 O ARG A 75 -12.291 -1.189 -13.423 1.00 1.08 O ATOM 1055 CB ARG A 75 -12.260 1.225 -10.891 1.00 1.06 C ATOM 1056 CG ARG A 75 -13.764 0.917 -10.936 1.00 1.10 C ATOM 1057 CD ARG A 75 -14.414 1.236 -9.584 1.00 1.27 C ATOM 1058 NE ARG A 75 -14.236 0.108 -8.657 1.00 2.42 N ATOM 1059 CZ ARG A 75 -13.979 0.142 -7.341 1.00 3.72 C ATOM 1060 NH1 ARG A 75 -13.693 1.264 -6.683 1.00 4.07 N ATOM 1061 NH2 ARG A 75 -14.004 -1.001 -6.667 1.00 5.36 N ATOM 0 H ARG A 75 -9.894 1.662 -11.326 1.00 0.78 H new ATOM 0 HA ARG A 75 -11.313 -0.625 -11.318 1.00 0.93 H new ATOM 0 HB2 ARG A 75 -11.905 1.105 -9.867 1.00 1.06 H new ATOM 0 HB3 ARG A 75 -12.105 2.269 -11.162 1.00 1.06 H new ATOM 0 HG2 ARG A 75 -14.239 1.503 -11.723 1.00 1.10 H new ATOM 0 HG3 ARG A 75 -13.920 -0.133 -11.183 1.00 1.10 H new ATOM 0 HD2 ARG A 75 -13.969 2.137 -9.162 1.00 1.27 H new ATOM 0 HD3 ARG A 75 -15.476 1.439 -9.722 1.00 1.27 H new ATOM 0 HE ARG A 75 -14.319 -0.822 -9.069 1.00 2.42 H new ATOM 0 HH11 ARG A 75 -13.662 2.154 -7.181 1.00 4.07 H new ATOM 0 HH12 ARG A 75 -13.505 1.234 -5.681 1.00 4.07 H new ATOM 0 HH21 ARG A 75 -14.215 -1.874 -7.151 1.00 5.36 H new ATOM 0 HH22 ARG A 75 -13.813 -1.007 -5.665 1.00 5.36 H new ATOM 1075 N PRO A 76 -12.415 0.975 -14.005 1.00 1.33 N ATOM 1076 CA PRO A 76 -13.082 0.690 -15.261 1.00 1.56 C ATOM 1077 C PRO A 76 -12.257 -0.229 -16.168 1.00 1.47 C ATOM 1078 O PRO A 76 -12.836 -0.959 -16.973 1.00 1.84 O ATOM 1079 CB PRO A 76 -13.364 2.054 -15.899 1.00 1.93 C ATOM 1080 CG PRO A 76 -12.312 2.970 -15.275 1.00 1.69 C ATOM 1081 CD PRO A 76 -12.200 2.407 -13.861 1.00 1.51 C ATOM 0 HA PRO A 76 -14.007 0.137 -15.099 1.00 1.56 H new ATOM 0 HB2 PRO A 76 -13.269 2.016 -16.984 1.00 1.93 H new ATOM 0 HB3 PRO A 76 -14.375 2.397 -15.680 1.00 1.93 H new ATOM 0 HG2 PRO A 76 -11.363 2.924 -15.809 1.00 1.69 H new ATOM 0 HG3 PRO A 76 -12.628 4.013 -15.275 1.00 1.69 H new ATOM 0 HD2 PRO A 76 -11.221 2.617 -13.429 1.00 1.51 H new ATOM 0 HD3 PRO A 76 -12.943 2.853 -13.199 1.00 1.51 H new ATOM 1089 N SER A 77 -10.928 -0.203 -16.066 1.00 1.36 N ATOM 1090 CA SER A 77 -10.055 -1.016 -16.888 1.00 1.52 C ATOM 1091 C SER A 77 -9.862 -2.426 -16.340 1.00 1.38 C ATOM 1092 O SER A 77 -9.327 -3.247 -17.076 1.00 1.69 O ATOM 1093 CB SER A 77 -8.717 -0.297 -17.108 1.00 1.88 C ATOM 1094 OG SER A 77 -8.555 0.791 -16.213 1.00 2.22 O ATOM 0 H SER A 77 -10.431 0.391 -15.402 1.00 1.36 H new ATOM 0 HA SER A 77 -10.543 -1.146 -17.854 1.00 1.52 H new ATOM 0 HB2 SER A 77 -7.898 -1.003 -16.975 1.00 1.88 H new ATOM 0 HB3 SER A 77 -8.662 0.065 -18.135 1.00 1.88 H new ATOM 0 HG SER A 77 -7.692 1.225 -16.379 1.00 2.22 H new ATOM 1100 N TYR A 78 -10.283 -2.764 -15.122 1.00 1.12 N ATOM 1101 CA TYR A 78 -10.443 -4.154 -14.737 1.00 1.14 C ATOM 1102 C TYR A 78 -11.908 -4.541 -14.924 1.00 1.10 C ATOM 1103 O TYR A 78 -12.788 -3.683 -14.848 1.00 1.28 O ATOM 1104 CB TYR A 78 -9.908 -4.373 -13.321 1.00 1.24 C ATOM 1105 CG TYR A 78 -10.909 -4.296 -12.187 1.00 0.85 C ATOM 1106 CD1 TYR A 78 -11.717 -5.412 -11.897 1.00 2.21 C ATOM 1107 CD2 TYR A 78 -10.877 -3.213 -11.293 1.00 1.99 C ATOM 1108 CE1 TYR A 78 -12.520 -5.422 -10.748 1.00 2.37 C ATOM 1109 CE2 TYR A 78 -11.702 -3.212 -10.154 1.00 2.12 C ATOM 1110 CZ TYR A 78 -12.517 -4.323 -9.879 1.00 1.43 C ATOM 1111 OH TYR A 78 -13.093 -4.452 -8.653 1.00 2.12 O ATOM 0 H TYR A 78 -10.517 -2.092 -14.391 1.00 1.12 H new ATOM 0 HA TYR A 78 -9.854 -4.816 -15.372 1.00 1.14 H new ATOM 0 HB2 TYR A 78 -9.432 -5.353 -13.287 1.00 1.24 H new ATOM 0 HB3 TYR A 78 -9.129 -3.634 -13.135 1.00 1.24 H new ATOM 0 HD1 TYR A 78 -11.718 -6.263 -12.562 1.00 2.21 H new ATOM 0 HD2 TYR A 78 -10.217 -2.379 -11.481 1.00 1.99 H new ATOM 0 HE1 TYR A 78 -13.142 -6.278 -10.532 1.00 2.37 H new ATOM 0 HE2 TYR A 78 -11.709 -2.359 -9.492 1.00 2.12 H new ATOM 0 HH TYR A 78 -13.012 -3.607 -8.163 1.00 2.12 H new ATOM 1121 N ASN A 79 -12.189 -5.819 -15.164 1.00 0.98 N ATOM 1122 CA ASN A 79 -13.551 -6.343 -15.167 1.00 0.96 C ATOM 1123 C ASN A 79 -13.482 -7.814 -14.755 1.00 0.98 C ATOM 1124 O ASN A 79 -12.382 -8.372 -14.726 1.00 1.69 O ATOM 1125 CB ASN A 79 -14.189 -6.152 -16.548 1.00 1.18 C ATOM 1126 CG ASN A 79 -15.704 -6.276 -16.466 1.00 1.55 C ATOM 1127 OD1 ASN A 79 -16.276 -7.311 -16.805 1.00 1.51 O ATOM 1128 ND2 ASN A 79 -16.395 -5.230 -16.044 1.00 2.79 N ATOM 0 H ASN A 79 -11.477 -6.522 -15.362 1.00 0.98 H new ATOM 0 HA ASN A 79 -14.183 -5.806 -14.460 1.00 0.96 H new ATOM 0 HB2 ASN A 79 -13.921 -5.173 -16.945 1.00 1.18 H new ATOM 0 HB3 ASN A 79 -13.796 -6.896 -17.241 1.00 1.18 H new ATOM 0 HD21 ASN A 79 -17.413 -5.276 -15.997 1.00 2.79 H new ATOM 0 HD22 ASN A 79 -15.910 -4.377 -15.765 1.00 2.79 H new ATOM 1135 N TYR A 80 -14.595 -8.464 -14.405 1.00 0.98 N ATOM 1136 CA TYR A 80 -14.607 -9.868 -14.055 1.00 1.00 C ATOM 1137 C TYR A 80 -15.071 -10.628 -15.297 1.00 1.28 C ATOM 1138 O TYR A 80 -14.954 -10.131 -16.420 1.00 2.22 O ATOM 1139 CB TYR A 80 -15.477 -10.074 -12.802 1.00 1.09 C ATOM 1140 CG TYR A 80 -15.017 -11.082 -11.759 1.00 1.04 C ATOM 1141 CD1 TYR A 80 -14.205 -12.193 -12.078 1.00 2.30 C ATOM 1142 CD2 TYR A 80 -15.556 -10.974 -10.463 1.00 1.68 C ATOM 1143 CE1 TYR A 80 -14.004 -13.214 -11.133 1.00 2.38 C ATOM 1144 CE2 TYR A 80 -15.345 -11.991 -9.521 1.00 1.74 C ATOM 1145 CZ TYR A 80 -14.608 -13.129 -9.870 1.00 1.32 C ATOM 1146 OH TYR A 80 -14.509 -14.147 -8.974 1.00 1.59 O ATOM 0 H TYR A 80 -15.512 -8.020 -14.359 1.00 0.98 H new ATOM 0 HA TYR A 80 -13.626 -10.255 -13.781 1.00 1.00 H new ATOM 0 HB2 TYR A 80 -15.580 -9.108 -12.307 1.00 1.09 H new ATOM 0 HB3 TYR A 80 -16.472 -10.370 -13.134 1.00 1.09 H new ATOM 0 HD1 TYR A 80 -13.738 -12.258 -13.050 1.00 2.30 H new ATOM 0 HD2 TYR A 80 -16.135 -10.103 -10.193 1.00 1.68 H new ATOM 0 HE1 TYR A 80 -13.385 -14.064 -11.379 1.00 2.38 H new ATOM 0 HE2 TYR A 80 -15.752 -11.896 -8.525 1.00 1.74 H new ATOM 0 HH TYR A 80 -13.586 -14.209 -8.650 1.00 1.59 H new ATOM 1156 N ALA A 81 -15.421 -11.896 -15.121 1.00 1.79 N ATOM 1157 CA ALA A 81 -15.782 -12.898 -16.111 1.00 2.20 C ATOM 1158 C ALA A 81 -14.475 -13.483 -16.636 1.00 2.27 C ATOM 1159 O ALA A 81 -14.204 -14.683 -16.583 1.00 2.83 O ATOM 1160 CB ALA A 81 -16.733 -12.358 -17.173 1.00 2.47 C ATOM 0 H ALA A 81 -15.463 -12.287 -14.180 1.00 1.79 H new ATOM 0 HA ALA A 81 -16.370 -13.704 -15.671 1.00 2.20 H new ATOM 0 HB1 ALA A 81 -16.969 -13.148 -17.886 1.00 2.47 H new ATOM 0 HB2 ALA A 81 -17.651 -12.012 -16.698 1.00 2.47 H new ATOM 0 HB3 ALA A 81 -16.260 -11.527 -17.696 1.00 2.47 H new ATOM 1166 N THR A 82 -13.635 -12.550 -17.061 1.00 1.97 N ATOM 1167 CA THR A 82 -12.393 -12.705 -17.766 1.00 2.33 C ATOM 1168 C THR A 82 -11.237 -12.735 -16.769 1.00 2.20 C ATOM 1169 O THR A 82 -10.228 -13.402 -16.996 1.00 2.42 O ATOM 1170 CB THR A 82 -12.304 -11.488 -18.689 1.00 2.74 C ATOM 1171 OG1 THR A 82 -12.420 -10.299 -17.919 1.00 2.88 O ATOM 1172 CG2 THR A 82 -13.465 -11.524 -19.687 1.00 2.84 C ATOM 0 H THR A 82 -13.839 -11.564 -16.897 1.00 1.97 H new ATOM 0 HA THR A 82 -12.341 -13.634 -18.334 1.00 2.33 H new ATOM 0 HB THR A 82 -11.349 -11.507 -19.214 1.00 2.74 H new ATOM 0 HG1 THR A 82 -12.361 -9.519 -18.510 1.00 2.88 H new ATOM 0 HG21 THR A 82 -13.405 -10.658 -20.346 1.00 2.84 H new ATOM 0 HG22 THR A 82 -13.407 -12.437 -20.280 1.00 2.84 H new ATOM 0 HG23 THR A 82 -14.411 -11.503 -19.146 1.00 2.84 H new ATOM 1180 N ASN A 83 -11.424 -12.040 -15.641 1.00 2.02 N ATOM 1181 CA ASN A 83 -10.578 -12.103 -14.456 1.00 1.89 C ATOM 1182 C ASN A 83 -9.266 -11.361 -14.681 1.00 2.03 C ATOM 1183 O ASN A 83 -8.214 -11.759 -14.175 1.00 2.43 O ATOM 1184 CB ASN A 83 -10.355 -13.563 -14.039 1.00 2.01 C ATOM 1185 CG ASN A 83 -9.836 -13.693 -12.620 1.00 1.88 C ATOM 1186 OD1 ASN A 83 -8.754 -14.214 -12.381 1.00 2.39 O ATOM 1187 ND2 ASN A 83 -10.646 -13.305 -11.646 1.00 1.74 N ATOM 0 H ASN A 83 -12.204 -11.392 -15.530 1.00 2.02 H new ATOM 0 HA ASN A 83 -11.086 -11.600 -13.633 1.00 1.89 H new ATOM 0 HB2 ASN A 83 -11.293 -14.110 -14.130 1.00 2.01 H new ATOM 0 HB3 ASN A 83 -9.647 -14.028 -14.725 1.00 2.01 H new ATOM 0 HD21 ASN A 83 -10.373 -13.438 -10.672 1.00 1.74 H new ATOM 0 HD22 ASN A 83 -11.543 -12.873 -11.870 1.00 1.74 H new ATOM 1194 N GLN A 84 -9.311 -10.282 -15.461 1.00 1.86 N ATOM 1195 CA GLN A 84 -8.125 -9.497 -15.721 1.00 2.08 C ATOM 1196 C GLN A 84 -8.448 -8.061 -16.112 1.00 1.85 C ATOM 1197 O GLN A 84 -9.605 -7.679 -16.284 1.00 1.95 O ATOM 1198 CB GLN A 84 -7.272 -10.191 -16.794 1.00 2.47 C ATOM 1199 CG GLN A 84 -8.032 -10.397 -18.116 1.00 2.61 C ATOM 1200 CD GLN A 84 -7.102 -10.378 -19.326 1.00 3.44 C ATOM 1201 OE1 GLN A 84 -5.912 -10.090 -19.213 1.00 4.27 O ATOM 1202 NE2 GLN A 84 -7.624 -10.656 -20.511 1.00 4.08 N ATOM 0 H GLN A 84 -10.156 -9.940 -15.918 1.00 1.86 H new ATOM 0 HA GLN A 84 -7.555 -9.435 -14.794 1.00 2.08 H new ATOM 0 HB2 GLN A 84 -6.378 -9.596 -16.982 1.00 2.47 H new ATOM 0 HB3 GLN A 84 -6.938 -11.158 -16.417 1.00 2.47 H new ATOM 0 HG2 GLN A 84 -8.563 -11.348 -18.083 1.00 2.61 H new ATOM 0 HG3 GLN A 84 -8.784 -9.616 -18.226 1.00 2.61 H new ATOM 0 HE21 GLN A 84 -8.613 -10.893 -20.590 1.00 4.08 H new ATOM 0 HE22 GLN A 84 -7.037 -10.633 -21.345 1.00 4.08 H new ATOM 1211 N CYS A 85 -7.381 -7.291 -16.309 1.00 1.97 N ATOM 1212 CA CYS A 85 -7.421 -6.056 -17.064 1.00 1.83 C ATOM 1213 C CYS A 85 -7.963 -6.238 -18.480 1.00 1.56 C ATOM 1214 O CYS A 85 -7.551 -7.143 -19.215 1.00 1.89 O ATOM 1215 CB CYS A 85 -6.080 -5.348 -17.058 1.00 2.05 C ATOM 1216 SG CYS A 85 -6.209 -3.656 -17.658 1.00 3.70 S ATOM 0 H CYS A 85 -6.456 -7.516 -15.942 1.00 1.97 H new ATOM 0 HA CYS A 85 -8.133 -5.410 -16.550 1.00 1.83 H new ATOM 0 HB2 CYS A 85 -5.677 -5.344 -16.045 1.00 2.05 H new ATOM 0 HB3 CYS A 85 -5.375 -5.900 -17.680 1.00 2.05 H new ATOM 1221 N VAL A 86 -8.902 -5.363 -18.821 1.00 1.56 N ATOM 1222 CA VAL A 86 -9.645 -5.265 -20.060 1.00 1.41 C ATOM 1223 C VAL A 86 -8.636 -4.940 -21.170 1.00 1.68 C ATOM 1224 O VAL A 86 -7.496 -4.561 -20.890 1.00 1.86 O ATOM 1225 CB VAL A 86 -10.663 -4.108 -19.866 1.00 1.26 C ATOM 1226 CG1 VAL A 86 -11.204 -3.413 -21.119 1.00 1.36 C ATOM 1227 CG2 VAL A 86 -11.792 -4.456 -18.892 1.00 1.26 C ATOM 0 H VAL A 86 -9.186 -4.634 -18.167 1.00 1.56 H new ATOM 0 HA VAL A 86 -10.175 -6.180 -20.325 1.00 1.41 H new ATOM 0 HB VAL A 86 -10.025 -3.348 -19.416 1.00 1.26 H new ATOM 0 HG11 VAL A 86 -11.902 -2.629 -20.827 1.00 1.36 H new ATOM 0 HG12 VAL A 86 -10.377 -2.973 -21.677 1.00 1.36 H new ATOM 0 HG13 VAL A 86 -11.718 -4.142 -21.746 1.00 1.36 H new ATOM 0 HG21 VAL A 86 -12.469 -3.606 -18.801 1.00 1.26 H new ATOM 0 HG22 VAL A 86 -12.342 -5.319 -19.266 1.00 1.26 H new ATOM 0 HG23 VAL A 86 -11.370 -4.691 -17.915 1.00 1.26 H new ATOM 1295 N CYS A 91 -2.769 -0.507 -16.352 1.00 2.48 N ATOM 1296 CA CYS A 91 -3.480 -1.026 -15.219 1.00 2.11 C ATOM 1297 C CYS A 91 -2.405 -1.720 -14.392 1.00 2.02 C ATOM 1298 O CYS A 91 -1.553 -1.051 -13.804 1.00 3.50 O ATOM 1299 CB CYS A 91 -4.645 -1.899 -15.716 1.00 2.26 C ATOM 1300 SG CYS A 91 -4.336 -2.876 -17.209 1.00 3.33 S ATOM 0 HA CYS A 91 -3.974 -0.290 -14.585 1.00 2.11 H new ATOM 0 HB2 CYS A 91 -4.928 -2.580 -14.914 1.00 2.26 H new ATOM 0 HB3 CYS A 91 -5.502 -1.252 -15.902 1.00 2.26 H new ATOM 1305 N ARG A 92 -2.323 -3.040 -14.501 1.00 1.16 N ATOM 1306 CA ARG A 92 -1.342 -3.900 -13.851 1.00 1.15 C ATOM 1307 C ARG A 92 -1.123 -3.520 -12.374 1.00 1.08 C ATOM 1308 O ARG A 92 0.014 -3.478 -11.909 1.00 1.59 O ATOM 1309 CB ARG A 92 -0.060 -3.868 -14.713 1.00 1.32 C ATOM 1310 CG ARG A 92 1.079 -4.841 -14.368 1.00 1.36 C ATOM 1311 CD ARG A 92 0.567 -6.243 -14.029 1.00 1.48 C ATOM 1312 NE ARG A 92 1.592 -7.278 -14.253 1.00 1.82 N ATOM 1313 CZ ARG A 92 1.344 -8.595 -14.342 1.00 2.71 C ATOM 1314 NH1 ARG A 92 0.214 -9.105 -13.844 1.00 3.63 N ATOM 1315 NH2 ARG A 92 2.244 -9.369 -14.940 1.00 3.24 N ATOM 0 H ARG A 92 -2.977 -3.569 -15.078 1.00 1.16 H new ATOM 0 HA ARG A 92 -1.700 -4.928 -13.797 1.00 1.15 H new ATOM 0 HB2 ARG A 92 -0.351 -4.051 -15.747 1.00 1.32 H new ATOM 0 HB3 ARG A 92 0.343 -2.856 -14.670 1.00 1.32 H new ATOM 0 HG2 ARG A 92 1.768 -4.903 -15.210 1.00 1.36 H new ATOM 0 HG3 ARG A 92 1.644 -4.449 -13.522 1.00 1.36 H new ATOM 0 HD2 ARG A 92 0.248 -6.269 -12.987 1.00 1.48 H new ATOM 0 HD3 ARG A 92 -0.310 -6.465 -14.637 1.00 1.48 H new ATOM 0 HE ARG A 92 2.560 -6.972 -14.347 1.00 1.82 H new ATOM 0 HH11 ARG A 92 -0.466 -8.493 -13.393 1.00 3.63 H new ATOM 0 HH12 ARG A 92 0.032 -10.106 -13.915 1.00 3.63 H new ATOM 0 HH21 ARG A 92 3.098 -8.959 -15.318 1.00 3.24 H new ATOM 0 HH22 ARG A 92 2.080 -10.373 -15.021 1.00 3.24 H new ATOM 1329 N HIS A 93 -2.196 -3.261 -11.620 1.00 1.01 N ATOM 1330 CA HIS A 93 -2.084 -2.711 -10.271 1.00 0.92 C ATOM 1331 C HIS A 93 -3.256 -3.161 -9.401 1.00 0.72 C ATOM 1332 O HIS A 93 -3.049 -3.720 -8.324 1.00 0.64 O ATOM 1333 CB HIS A 93 -2.045 -1.179 -10.380 1.00 1.10 C ATOM 1334 CG HIS A 93 -0.786 -0.455 -9.999 1.00 0.85 C ATOM 1335 ND1 HIS A 93 0.467 -0.981 -9.814 1.00 1.24 N flip ATOM 1336 CD2 HIS A 93 -0.687 0.924 -10.006 1.00 0.92 C flip ATOM 1337 CE1 HIS A 93 1.315 0.093 -9.671 1.00 1.51 C flip ATOM 1338 NE2 HIS A 93 0.598 1.230 -9.753 1.00 1.17 N flip ATOM 0 H HIS A 93 -3.155 -3.425 -11.926 1.00 1.01 H new ATOM 0 HA HIS A 93 -1.172 -3.074 -9.798 1.00 0.92 H new ATOM 0 HB2 HIS A 93 -2.276 -0.916 -11.412 1.00 1.10 H new ATOM 0 HB3 HIS A 93 -2.852 -0.784 -9.762 1.00 1.10 H new ATOM 0 HD2 HIS A 93 -1.491 1.624 -10.182 1.00 0.92 H new ATOM 0 HE1 HIS A 93 2.382 0.034 -9.518 1.00 1.51 H new ATOM 0 HE2 HIS A 93 0.970 2.173 -9.641 1.00 1.17 H new ATOM 1347 N TYR A 94 -4.484 -2.933 -9.862 1.00 0.67 N ATOM 1348 CA TYR A 94 -5.707 -3.354 -9.195 1.00 0.54 C ATOM 1349 C TYR A 94 -5.587 -4.826 -8.814 1.00 0.49 C ATOM 1350 O TYR A 94 -5.915 -5.212 -7.699 1.00 0.40 O ATOM 1351 CB TYR A 94 -6.925 -3.115 -10.102 1.00 0.59 C ATOM 1352 CG TYR A 94 -8.035 -4.127 -9.907 1.00 0.95 C ATOM 1353 CD1 TYR A 94 -8.841 -4.081 -8.755 1.00 1.43 C ATOM 1354 CD2 TYR A 94 -8.076 -5.260 -10.740 1.00 2.96 C ATOM 1355 CE1 TYR A 94 -9.719 -5.141 -8.470 1.00 1.47 C ATOM 1356 CE2 TYR A 94 -8.912 -6.339 -10.424 1.00 3.58 C ATOM 1357 CZ TYR A 94 -9.761 -6.266 -9.312 1.00 2.24 C ATOM 1358 OH TYR A 94 -10.657 -7.265 -9.091 1.00 2.92 O ATOM 0 H TYR A 94 -4.657 -2.436 -10.736 1.00 0.67 H new ATOM 0 HA TYR A 94 -5.851 -2.764 -8.290 1.00 0.54 H new ATOM 0 HB2 TYR A 94 -7.318 -2.116 -9.912 1.00 0.59 H new ATOM 0 HB3 TYR A 94 -6.602 -3.138 -11.143 1.00 0.59 H new ATOM 0 HD1 TYR A 94 -8.785 -3.232 -8.090 1.00 1.43 H new ATOM 0 HD2 TYR A 94 -7.461 -5.298 -11.627 1.00 2.96 H new ATOM 0 HE1 TYR A 94 -10.362 -5.091 -7.604 1.00 1.47 H new ATOM 0 HE2 TYR A 94 -8.902 -7.227 -11.038 1.00 3.58 H new ATOM 0 HH TYR A 94 -11.484 -7.077 -9.581 1.00 2.92 H new ATOM 1368 N THR A 95 -5.099 -5.649 -9.735 1.00 0.57 N ATOM 1369 CA THR A 95 -4.859 -7.055 -9.495 1.00 0.55 C ATOM 1370 C THR A 95 -4.092 -7.250 -8.182 1.00 0.46 C ATOM 1371 O THR A 95 -4.503 -8.036 -7.337 1.00 0.49 O ATOM 1372 CB THR A 95 -4.097 -7.602 -10.708 1.00 0.73 C ATOM 1373 OG1 THR A 95 -3.332 -6.570 -11.315 1.00 1.09 O ATOM 1374 CG2 THR A 95 -5.062 -8.101 -11.779 1.00 1.06 C ATOM 0 H THR A 95 -4.858 -5.348 -10.679 1.00 0.57 H new ATOM 0 HA THR A 95 -5.794 -7.604 -9.382 1.00 0.55 H new ATOM 0 HB THR A 95 -3.464 -8.412 -10.346 1.00 0.73 H new ATOM 0 HG1 THR A 95 -2.991 -6.881 -12.180 1.00 1.09 H new ATOM 0 HG21 THR A 95 -4.496 -8.484 -12.629 1.00 1.06 H new ATOM 0 HG22 THR A 95 -5.682 -8.897 -11.367 1.00 1.06 H new ATOM 0 HG23 THR A 95 -5.698 -7.279 -12.107 1.00 1.06 H new ATOM 1382 N GLN A 96 -2.992 -6.524 -7.984 1.00 0.52 N ATOM 1383 CA GLN A 96 -2.210 -6.615 -6.760 1.00 0.54 C ATOM 1384 C GLN A 96 -3.031 -6.133 -5.555 1.00 0.51 C ATOM 1385 O GLN A 96 -2.918 -6.722 -4.483 1.00 0.62 O ATOM 1386 CB GLN A 96 -0.885 -5.854 -6.935 1.00 0.76 C ATOM 1387 CG GLN A 96 -0.047 -5.728 -5.660 1.00 0.98 C ATOM 1388 CD GLN A 96 0.501 -7.061 -5.173 1.00 0.98 C ATOM 1389 OE1 GLN A 96 1.657 -7.379 -5.420 1.00 2.00 O ATOM 1390 NE2 GLN A 96 -0.306 -7.855 -4.482 1.00 0.79 N ATOM 0 H GLN A 96 -2.623 -5.861 -8.666 1.00 0.52 H new ATOM 0 HA GLN A 96 -1.959 -7.656 -6.557 1.00 0.54 H new ATOM 0 HB2 GLN A 96 -0.290 -6.358 -7.696 1.00 0.76 H new ATOM 0 HB3 GLN A 96 -1.103 -4.854 -7.311 1.00 0.76 H new ATOM 0 HG2 GLN A 96 0.783 -5.046 -5.844 1.00 0.98 H new ATOM 0 HG3 GLN A 96 -0.657 -5.283 -4.874 1.00 0.98 H new ATOM 0 HE21 GLN A 96 -1.265 -7.565 -4.290 1.00 0.79 H new ATOM 0 HE22 GLN A 96 0.032 -8.755 -4.142 1.00 0.79 H new ATOM 1399 N VAL A 97 -3.834 -5.079 -5.714 1.00 0.48 N ATOM 1400 CA VAL A 97 -4.699 -4.588 -4.641 1.00 0.45 C ATOM 1401 C VAL A 97 -5.671 -5.693 -4.222 1.00 0.42 C ATOM 1402 O VAL A 97 -5.937 -5.899 -3.042 1.00 0.53 O ATOM 1403 CB VAL A 97 -5.440 -3.308 -5.087 1.00 0.44 C ATOM 1404 CG1 VAL A 97 -6.461 -2.805 -4.056 1.00 0.44 C ATOM 1405 CG2 VAL A 97 -4.434 -2.183 -5.353 1.00 0.57 C ATOM 0 H VAL A 97 -3.903 -4.547 -6.581 1.00 0.48 H new ATOM 0 HA VAL A 97 -4.093 -4.323 -3.775 1.00 0.45 H new ATOM 0 HB VAL A 97 -5.983 -3.577 -5.993 1.00 0.44 H new ATOM 0 HG11 VAL A 97 -6.945 -1.904 -4.433 1.00 0.44 H new ATOM 0 HG12 VAL A 97 -7.213 -3.575 -3.883 1.00 0.44 H new ATOM 0 HG13 VAL A 97 -5.951 -2.579 -3.120 1.00 0.44 H new ATOM 0 HG21 VAL A 97 -4.967 -1.285 -5.667 1.00 0.57 H new ATOM 0 HG22 VAL A 97 -3.874 -1.973 -4.442 1.00 0.57 H new ATOM 0 HG23 VAL A 97 -3.745 -2.490 -6.140 1.00 0.57 H new ATOM 1415 N VAL A 98 -6.201 -6.425 -5.194 1.00 0.35 N ATOM 1416 CA VAL A 98 -7.229 -7.413 -4.950 1.00 0.34 C ATOM 1417 C VAL A 98 -6.635 -8.745 -4.498 1.00 0.46 C ATOM 1418 O VAL A 98 -7.256 -9.429 -3.693 1.00 0.86 O ATOM 1419 CB VAL A 98 -8.170 -7.494 -6.169 1.00 0.40 C ATOM 1420 CG1 VAL A 98 -8.099 -8.818 -6.929 1.00 0.58 C ATOM 1421 CG2 VAL A 98 -9.609 -7.318 -5.680 1.00 0.43 C ATOM 0 H VAL A 98 -5.926 -6.346 -6.173 1.00 0.35 H new ATOM 0 HA VAL A 98 -7.850 -7.106 -4.109 1.00 0.34 H new ATOM 0 HB VAL A 98 -7.852 -6.710 -6.856 1.00 0.40 H new ATOM 0 HG11 VAL A 98 -8.791 -8.792 -7.771 1.00 0.58 H new ATOM 0 HG12 VAL A 98 -7.085 -8.972 -7.298 1.00 0.58 H new ATOM 0 HG13 VAL A 98 -8.370 -9.636 -6.261 1.00 0.58 H new ATOM 0 HG21 VAL A 98 -10.291 -7.372 -6.529 1.00 0.43 H new ATOM 0 HG22 VAL A 98 -9.851 -8.108 -4.969 1.00 0.43 H new ATOM 0 HG23 VAL A 98 -9.712 -6.348 -5.193 1.00 0.43 H new ATOM 1431 N TRP A 99 -5.422 -9.069 -4.946 1.00 0.40 N ATOM 1432 CA TRP A 99 -4.848 -10.406 -5.000 1.00 0.41 C ATOM 1433 C TRP A 99 -5.316 -11.302 -3.846 1.00 0.41 C ATOM 1434 O TRP A 99 -4.821 -11.203 -2.727 1.00 0.46 O ATOM 1435 CB TRP A 99 -3.322 -10.259 -5.000 1.00 0.44 C ATOM 1436 CG TRP A 99 -2.576 -11.373 -5.655 1.00 0.53 C ATOM 1437 CD1 TRP A 99 -1.817 -12.302 -5.034 1.00 0.73 C ATOM 1438 CD2 TRP A 99 -2.425 -11.624 -7.081 1.00 0.60 C ATOM 1439 NE1 TRP A 99 -1.258 -13.143 -5.975 1.00 0.83 N ATOM 1440 CE2 TRP A 99 -1.582 -12.757 -7.260 1.00 0.77 C ATOM 1441 CE3 TRP A 99 -2.858 -10.958 -8.246 1.00 0.66 C ATOM 1442 CZ2 TRP A 99 -1.193 -13.197 -8.530 1.00 0.93 C ATOM 1443 CZ3 TRP A 99 -2.461 -11.387 -9.526 1.00 0.85 C ATOM 1444 CH2 TRP A 99 -1.658 -12.527 -9.670 1.00 0.97 C ATOM 0 H TRP A 99 -4.779 -8.361 -5.301 1.00 0.40 H new ATOM 0 HA TRP A 99 -5.189 -10.901 -5.909 1.00 0.41 H new ATOM 0 HB2 TRP A 99 -3.063 -9.326 -5.501 1.00 0.44 H new ATOM 0 HB3 TRP A 99 -2.981 -10.172 -3.968 1.00 0.44 H new ATOM 0 HD1 TRP A 99 -1.670 -12.375 -3.967 1.00 0.73 H new ATOM 0 HE1 TRP A 99 -0.677 -13.950 -5.749 1.00 0.83 H new ATOM 0 HE3 TRP A 99 -3.508 -10.101 -8.154 1.00 0.66 H new ATOM 0 HZ2 TRP A 99 -0.537 -14.049 -8.631 1.00 0.93 H new ATOM 0 HZ3 TRP A 99 -2.776 -10.836 -10.400 1.00 0.85 H new ATOM 0 HH2 TRP A 99 -1.399 -12.887 -10.655 1.00 0.97 H new ATOM 1455 N ARG A 100 -6.279 -12.177 -4.123 1.00 0.46 N ATOM 1456 CA ARG A 100 -6.933 -13.084 -3.184 1.00 0.50 C ATOM 1457 C ARG A 100 -5.930 -13.998 -2.493 1.00 0.53 C ATOM 1458 O ARG A 100 -6.128 -14.411 -1.353 1.00 0.77 O ATOM 1459 CB ARG A 100 -7.966 -13.894 -3.977 1.00 0.61 C ATOM 1460 CG ARG A 100 -8.813 -14.848 -3.129 1.00 0.84 C ATOM 1461 CD ARG A 100 -9.934 -15.386 -4.020 1.00 1.79 C ATOM 1462 NE ARG A 100 -10.994 -16.050 -3.251 1.00 2.58 N ATOM 1463 CZ ARG A 100 -11.187 -17.372 -3.224 1.00 3.34 C ATOM 1464 NH1 ARG A 100 -10.149 -18.191 -3.393 1.00 3.65 N ATOM 1465 NH2 ARG A 100 -12.418 -17.838 -3.027 1.00 4.66 N ATOM 0 H ARG A 100 -6.647 -12.278 -5.069 1.00 0.46 H new ATOM 0 HA ARG A 100 -7.419 -12.515 -2.391 1.00 0.50 H new ATOM 0 HB2 ARG A 100 -8.630 -13.203 -4.496 1.00 0.61 H new ATOM 0 HB3 ARG A 100 -7.447 -14.472 -4.742 1.00 0.61 H new ATOM 0 HG2 ARG A 100 -8.202 -15.666 -2.746 1.00 0.84 H new ATOM 0 HG3 ARG A 100 -9.227 -14.328 -2.265 1.00 0.84 H new ATOM 0 HD2 ARG A 100 -10.365 -14.564 -4.592 1.00 1.79 H new ATOM 0 HD3 ARG A 100 -9.516 -16.090 -4.739 1.00 1.79 H new ATOM 0 HE ARG A 100 -11.624 -15.465 -2.702 1.00 2.58 H new ATOM 0 HH11 ARG A 100 -9.216 -17.807 -3.542 1.00 3.65 H new ATOM 0 HH12 ARG A 100 -10.288 -19.201 -3.374 1.00 3.65 H new ATOM 0 HH21 ARG A 100 -13.195 -17.189 -2.900 1.00 4.66 H new ATOM 0 HH22 ARG A 100 -12.585 -18.844 -3.003 1.00 4.66 H new ATOM 1479 N ASN A 101 -4.850 -14.329 -3.194 1.00 0.49 N ATOM 1480 CA ASN A 101 -3.749 -15.066 -2.601 1.00 0.54 C ATOM 1481 C ASN A 101 -3.151 -14.286 -1.429 1.00 0.54 C ATOM 1482 O ASN A 101 -2.812 -14.892 -0.413 1.00 1.18 O ATOM 1483 CB ASN A 101 -2.704 -15.396 -3.668 1.00 0.82 C ATOM 1484 CG ASN A 101 -2.955 -16.771 -4.257 1.00 1.76 C ATOM 1485 OD1 ASN A 101 -2.453 -17.762 -3.739 1.00 1.73 O ATOM 1486 ND2 ASN A 101 -3.762 -16.879 -5.303 1.00 3.79 N ATOM 0 H ASN A 101 -4.718 -14.095 -4.178 1.00 0.49 H new ATOM 0 HA ASN A 101 -4.120 -16.010 -2.201 1.00 0.54 H new ATOM 0 HB2 ASN A 101 -2.734 -14.646 -4.458 1.00 0.82 H new ATOM 0 HB3 ASN A 101 -1.706 -15.359 -3.231 1.00 0.82 H new ATOM 0 HD21 ASN A 101 -3.975 -17.798 -5.690 1.00 3.79 H new ATOM 0 HD22 ASN A 101 -4.170 -16.043 -5.721 1.00 3.79 H new ATOM 1493 N SER A 102 -3.078 -12.953 -1.534 1.00 0.59 N ATOM 1494 CA SER A 102 -2.560 -12.097 -0.476 1.00 0.58 C ATOM 1495 C SER A 102 -3.654 -11.809 0.536 1.00 0.74 C ATOM 1496 O SER A 102 -4.817 -11.595 0.185 1.00 1.14 O ATOM 1497 CB SER A 102 -1.988 -10.777 -1.009 1.00 0.67 C ATOM 1498 OG SER A 102 -1.240 -10.157 0.028 1.00 2.13 O ATOM 0 H SER A 102 -3.380 -12.442 -2.363 1.00 0.59 H new ATOM 0 HA SER A 102 -1.740 -12.636 -0.001 1.00 0.58 H new ATOM 0 HB2 SER A 102 -1.353 -10.962 -1.875 1.00 0.67 H new ATOM 0 HB3 SER A 102 -2.794 -10.121 -1.339 1.00 0.67 H new ATOM 0 HG SER A 102 -0.903 -10.842 0.643 1.00 2.13 H new ATOM 1504 N VAL A 103 -3.253 -11.788 1.800 1.00 0.73 N ATOM 1505 CA VAL A 103 -4.082 -11.448 2.942 1.00 0.82 C ATOM 1506 C VAL A 103 -3.325 -10.495 3.873 1.00 0.82 C ATOM 1507 O VAL A 103 -3.747 -10.286 5.009 1.00 0.73 O ATOM 1508 CB VAL A 103 -4.524 -12.744 3.646 1.00 0.88 C ATOM 1509 CG1 VAL A 103 -5.514 -13.527 2.771 1.00 0.94 C ATOM 1510 CG2 VAL A 103 -3.334 -13.653 3.997 1.00 0.90 C ATOM 0 H VAL A 103 -2.296 -12.019 2.066 1.00 0.73 H new ATOM 0 HA VAL A 103 -4.982 -10.923 2.621 1.00 0.82 H new ATOM 0 HB VAL A 103 -5.008 -12.443 4.575 1.00 0.88 H new ATOM 0 HG11 VAL A 103 -5.813 -14.439 3.287 1.00 0.94 H new ATOM 0 HG12 VAL A 103 -6.394 -12.913 2.579 1.00 0.94 H new ATOM 0 HG13 VAL A 103 -5.038 -13.785 1.825 1.00 0.94 H new ATOM 0 HG21 VAL A 103 -3.698 -14.554 4.492 1.00 0.90 H new ATOM 0 HG22 VAL A 103 -2.805 -13.928 3.085 1.00 0.90 H new ATOM 0 HG23 VAL A 103 -2.655 -13.122 4.664 1.00 0.90 H new ATOM 1520 N ARG A 104 -2.213 -9.926 3.395 1.00 1.15 N ATOM 1521 CA ARG A 104 -1.278 -9.138 4.183 1.00 0.98 C ATOM 1522 C ARG A 104 -0.967 -7.844 3.430 1.00 0.92 C ATOM 1523 O ARG A 104 -1.033 -7.839 2.197 1.00 1.08 O ATOM 1524 CB ARG A 104 -0.020 -9.978 4.433 1.00 0.92 C ATOM 1525 CG ARG A 104 -0.353 -11.349 5.042 1.00 1.27 C ATOM 1526 CD ARG A 104 0.830 -11.975 5.800 1.00 1.61 C ATOM 1527 NE ARG A 104 1.294 -13.227 5.180 1.00 2.38 N ATOM 1528 CZ ARG A 104 1.777 -14.299 5.826 1.00 3.02 C ATOM 1529 NH1 ARG A 104 1.671 -14.446 7.145 1.00 3.18 N ATOM 1530 NH2 ARG A 104 2.397 -15.249 5.140 1.00 4.27 N ATOM 0 H ARG A 104 -1.936 -10.008 2.417 1.00 1.15 H new ATOM 0 HA ARG A 104 -1.701 -8.868 5.150 1.00 0.98 H new ATOM 0 HB2 ARG A 104 0.514 -10.119 3.493 1.00 0.92 H new ATOM 0 HB3 ARG A 104 0.650 -9.437 5.102 1.00 0.92 H new ATOM 0 HG2 ARG A 104 -1.198 -11.242 5.723 1.00 1.27 H new ATOM 0 HG3 ARG A 104 -0.667 -12.026 4.248 1.00 1.27 H new ATOM 0 HD2 ARG A 104 1.654 -11.262 5.834 1.00 1.61 H new ATOM 0 HD3 ARG A 104 0.535 -12.171 6.831 1.00 1.61 H new ATOM 0 HE ARG A 104 1.243 -13.285 4.163 1.00 2.38 H new ATOM 0 HH11 ARG A 104 1.209 -13.728 7.703 1.00 3.18 H new ATOM 0 HH12 ARG A 104 2.052 -15.277 7.598 1.00 3.18 H new ATOM 0 HH21 ARG A 104 2.504 -15.161 4.129 1.00 4.27 H new ATOM 0 HH22 ARG A 104 2.767 -16.068 5.623 1.00 4.27 H new ATOM 1544 N LEU A 105 -0.734 -6.747 4.151 1.00 0.83 N ATOM 1545 CA LEU A 105 -0.664 -5.406 3.599 1.00 0.83 C ATOM 1546 C LEU A 105 0.151 -4.446 4.479 1.00 0.95 C ATOM 1547 O LEU A 105 -0.432 -3.673 5.239 1.00 1.80 O ATOM 1548 CB LEU A 105 -2.109 -4.900 3.425 1.00 0.77 C ATOM 1549 CG LEU A 105 -2.166 -3.680 2.506 1.00 0.83 C ATOM 1550 CD1 LEU A 105 -2.208 -4.165 1.060 1.00 1.86 C ATOM 1551 CD2 LEU A 105 -3.407 -2.833 2.785 1.00 2.24 C ATOM 0 H LEU A 105 -0.586 -6.774 5.160 1.00 0.83 H new ATOM 0 HA LEU A 105 -0.145 -5.440 2.641 1.00 0.83 H new ATOM 0 HB2 LEU A 105 -2.728 -5.697 3.013 1.00 0.77 H new ATOM 0 HB3 LEU A 105 -2.526 -4.644 4.399 1.00 0.77 H new ATOM 0 HG LEU A 105 -1.285 -3.063 2.686 1.00 0.83 H new ATOM 0 HD11 LEU A 105 -2.249 -3.307 0.389 1.00 1.86 H new ATOM 0 HD12 LEU A 105 -1.313 -4.750 0.846 1.00 1.86 H new ATOM 0 HD13 LEU A 105 -3.092 -4.785 0.910 1.00 1.86 H new ATOM 0 HD21 LEU A 105 -3.419 -1.973 2.115 1.00 2.24 H new ATOM 0 HD22 LEU A 105 -4.302 -3.433 2.620 1.00 2.24 H new ATOM 0 HD23 LEU A 105 -3.387 -2.488 3.819 1.00 2.24 H new ATOM 1563 N GLY A 106 1.474 -4.411 4.329 1.00 0.52 N ATOM 1564 CA GLY A 106 2.322 -3.623 5.214 1.00 0.57 C ATOM 1565 C GLY A 106 2.866 -2.414 4.484 1.00 0.53 C ATOM 1566 O GLY A 106 3.740 -2.554 3.626 1.00 0.78 O ATOM 0 H GLY A 106 1.979 -4.919 3.603 1.00 0.52 H new ATOM 0 HA2 GLY A 106 1.751 -3.303 6.086 1.00 0.57 H new ATOM 0 HA3 GLY A 106 3.146 -4.236 5.580 1.00 0.57 H new ATOM 1570 N CYS A 107 2.352 -1.223 4.797 1.00 0.43 N ATOM 1571 CA CYS A 107 2.716 -0.007 4.079 1.00 0.49 C ATOM 1572 C CYS A 107 3.843 0.744 4.763 1.00 0.52 C ATOM 1573 O CYS A 107 3.980 0.681 5.983 1.00 0.69 O ATOM 1574 CB CYS A 107 1.511 0.888 3.814 1.00 0.76 C ATOM 1575 SG CYS A 107 0.160 0.115 2.895 1.00 1.22 S ATOM 0 H CYS A 107 1.678 -1.078 5.549 1.00 0.43 H new ATOM 0 HA CYS A 107 3.092 -0.321 3.105 1.00 0.49 H new ATOM 0 HB2 CYS A 107 1.123 1.239 4.770 1.00 0.76 H new ATOM 0 HB3 CYS A 107 1.846 1.767 3.264 1.00 0.76 H new ATOM 1580 N GLY A 108 4.654 1.435 3.959 1.00 0.57 N ATOM 1581 CA GLY A 108 5.865 2.102 4.399 1.00 0.92 C ATOM 1582 C GLY A 108 5.670 3.588 4.586 1.00 1.24 C ATOM 1583 O GLY A 108 5.489 4.115 5.679 1.00 3.24 O ATOM 0 H GLY A 108 4.476 1.544 2.961 1.00 0.57 H new ATOM 0 HA2 GLY A 108 6.198 1.661 5.339 1.00 0.92 H new ATOM 0 HA3 GLY A 108 6.656 1.931 3.669 1.00 0.92 H new ATOM 1587 N ARG A 109 5.785 4.220 3.441 1.00 1.06 N ATOM 1588 CA ARG A 109 5.703 5.650 3.172 1.00 0.84 C ATOM 1589 C ARG A 109 6.994 6.328 3.631 1.00 0.79 C ATOM 1590 O ARG A 109 7.344 6.245 4.808 1.00 1.17 O ATOM 1591 CB ARG A 109 4.469 6.279 3.844 1.00 0.98 C ATOM 1592 CG ARG A 109 4.139 7.680 3.307 1.00 0.84 C ATOM 1593 CD ARG A 109 3.342 8.459 4.362 1.00 1.24 C ATOM 1594 NE ARG A 109 2.438 9.461 3.774 1.00 1.23 N ATOM 1595 CZ ARG A 109 1.526 10.149 4.479 1.00 2.08 C ATOM 1596 NH1 ARG A 109 1.567 10.135 5.808 1.00 2.85 N ATOM 1597 NH2 ARG A 109 0.590 10.833 3.828 1.00 2.88 N ATOM 0 H ARG A 109 5.956 3.697 2.582 1.00 1.06 H new ATOM 0 HA ARG A 109 5.587 5.800 2.099 1.00 0.84 H new ATOM 0 HB2 ARG A 109 3.609 5.627 3.693 1.00 0.98 H new ATOM 0 HB3 ARG A 109 4.639 6.339 4.919 1.00 0.98 H new ATOM 0 HG2 ARG A 109 5.058 8.213 3.063 1.00 0.84 H new ATOM 0 HG3 ARG A 109 3.562 7.601 2.385 1.00 0.84 H new ATOM 0 HD2 ARG A 109 2.759 7.758 4.960 1.00 1.24 H new ATOM 0 HD3 ARG A 109 4.036 8.957 5.040 1.00 1.24 H new ATOM 0 HE ARG A 109 2.509 9.643 2.773 1.00 1.23 H new ATOM 0 HH11 ARG A 109 2.291 9.602 6.290 1.00 2.85 H new ATOM 0 HH12 ARG A 109 0.875 10.657 6.345 1.00 2.85 H new ATOM 0 HH21 ARG A 109 0.572 10.830 2.808 1.00 2.88 H new ATOM 0 HH22 ARG A 109 -0.110 11.361 4.348 1.00 2.88 H new ATOM 1611 N ALA A 110 7.697 7.001 2.726 1.00 0.52 N ATOM 1612 CA ALA A 110 8.789 7.903 3.063 1.00 0.47 C ATOM 1613 C ALA A 110 8.671 9.104 2.136 1.00 0.49 C ATOM 1614 O ALA A 110 8.126 8.973 1.040 1.00 0.59 O ATOM 1615 CB ALA A 110 10.142 7.211 2.876 1.00 0.54 C ATOM 0 H ALA A 110 7.520 6.933 1.724 1.00 0.52 H new ATOM 0 HA ALA A 110 8.728 8.209 4.107 1.00 0.47 H new ATOM 0 HB1 ALA A 110 10.943 7.903 3.133 1.00 0.54 H new ATOM 0 HB2 ALA A 110 10.196 6.336 3.524 1.00 0.54 H new ATOM 0 HB3 ALA A 110 10.251 6.900 1.837 1.00 0.54 H new ATOM 1621 N ARG A 111 9.154 10.267 2.567 1.00 0.53 N ATOM 1622 CA ARG A 111 9.290 11.387 1.656 1.00 0.56 C ATOM 1623 C ARG A 111 10.662 11.289 0.984 1.00 0.58 C ATOM 1624 O ARG A 111 11.599 10.769 1.590 1.00 1.01 O ATOM 1625 CB ARG A 111 9.071 12.717 2.373 1.00 0.71 C ATOM 1626 CG ARG A 111 8.538 13.774 1.396 1.00 1.01 C ATOM 1627 CD ARG A 111 8.461 15.119 2.113 1.00 1.31 C ATOM 1628 NE ARG A 111 7.635 16.090 1.386 1.00 2.59 N ATOM 1629 CZ ARG A 111 7.241 17.245 1.938 1.00 3.28 C ATOM 1630 NH1 ARG A 111 7.814 17.656 3.071 1.00 3.25 N ATOM 1631 NH2 ARG A 111 6.267 17.953 1.368 1.00 4.84 N ATOM 0 H ARG A 111 9.451 10.452 3.525 1.00 0.53 H new ATOM 0 HA ARG A 111 8.520 11.346 0.886 1.00 0.56 H new ATOM 0 HB2 ARG A 111 8.365 12.583 3.193 1.00 0.71 H new ATOM 0 HB3 ARG A 111 10.008 13.059 2.812 1.00 0.71 H new ATOM 0 HG2 ARG A 111 9.192 13.847 0.527 1.00 1.01 H new ATOM 0 HG3 ARG A 111 7.553 13.486 1.030 1.00 1.01 H new ATOM 0 HD2 ARG A 111 8.051 14.973 3.112 1.00 1.31 H new ATOM 0 HD3 ARG A 111 9.467 15.521 2.236 1.00 1.31 H new ATOM 0 HE ARG A 111 7.352 15.878 0.429 1.00 2.59 H new ATOM 0 HH11 ARG A 111 8.544 17.092 3.507 1.00 3.25 H new ATOM 0 HH12 ARG A 111 7.522 18.534 3.501 1.00 3.25 H new ATOM 0 HH21 ARG A 111 5.824 17.615 0.514 1.00 4.84 H new ATOM 0 HH22 ARG A 111 5.965 18.833 1.786 1.00 4.84 H new ATOM 1645 N CYS A 112 10.769 11.748 -0.262 1.00 0.78 N ATOM 1646 CA CYS A 112 11.982 11.720 -1.063 1.00 0.81 C ATOM 1647 C CYS A 112 12.126 13.005 -1.852 1.00 1.12 C ATOM 1648 O CYS A 112 11.141 13.666 -2.171 1.00 1.51 O ATOM 1649 CB CYS A 112 11.969 10.579 -2.071 1.00 1.09 C ATOM 1650 SG CYS A 112 11.481 8.961 -1.485 1.00 1.77 S ATOM 0 H CYS A 112 9.980 12.165 -0.756 1.00 0.78 H new ATOM 0 HA CYS A 112 12.809 11.589 -0.364 1.00 0.81 H new ATOM 0 HB2 CYS A 112 11.299 10.857 -2.885 1.00 1.09 H new ATOM 0 HB3 CYS A 112 12.969 10.495 -2.496 1.00 1.09 H new ATOM 1690 N TRP A 116 8.976 12.821 -3.699 1.00 1.66 N ATOM 1691 CA TRP A 116 8.072 13.450 -2.766 1.00 1.01 C ATOM 1692 C TRP A 116 7.468 12.371 -1.871 1.00 0.80 C ATOM 1693 O TRP A 116 8.250 11.600 -1.328 1.00 1.07 O ATOM 1694 CB TRP A 116 7.171 14.350 -3.570 1.00 1.61 C ATOM 1695 CG TRP A 116 7.926 15.444 -4.268 1.00 2.01 C ATOM 1696 CD1 TRP A 116 8.297 16.619 -3.713 1.00 2.59 C ATOM 1697 CD2 TRP A 116 8.525 15.430 -5.600 1.00 2.21 C ATOM 1698 NE1 TRP A 116 9.022 17.357 -4.625 1.00 3.09 N ATOM 1699 CE2 TRP A 116 9.195 16.672 -5.806 1.00 2.88 C ATOM 1700 CE3 TRP A 116 8.601 14.485 -6.647 1.00 2.17 C ATOM 1701 CZ2 TRP A 116 9.855 16.981 -7.002 1.00 3.34 C ATOM 1702 CZ3 TRP A 116 9.239 14.797 -7.860 1.00 2.67 C ATOM 1703 CH2 TRP A 116 9.835 16.052 -8.052 1.00 3.18 C ATOM 0 HA TRP A 116 8.524 14.121 -2.035 1.00 1.01 H new ATOM 0 HB2 TRP A 116 6.634 13.755 -4.309 1.00 1.61 H new ATOM 0 HB3 TRP A 116 6.423 14.792 -2.912 1.00 1.61 H new ATOM 0 HD1 TRP A 116 8.061 16.933 -2.707 1.00 2.59 H new ATOM 0 HE1 TRP A 116 9.385 18.293 -4.446 1.00 3.09 H new ATOM 0 HE3 TRP A 116 8.162 13.507 -6.513 1.00 2.17 H new ATOM 0 HZ2 TRP A 116 10.372 17.922 -7.114 1.00 3.34 H new ATOM 0 HZ3 TRP A 116 9.271 14.063 -8.652 1.00 2.67 H new ATOM 0 HH2 TRP A 116 10.277 16.302 -9.005 1.00 3.18 H new ATOM 1714 N TRP A 117 6.154 12.234 -1.728 1.00 0.72 N ATOM 1715 CA TRP A 117 5.624 11.212 -0.841 1.00 0.80 C ATOM 1716 C TRP A 117 5.585 9.893 -1.596 1.00 0.83 C ATOM 1717 O TRP A 117 4.644 9.593 -2.331 1.00 1.22 O ATOM 1718 CB TRP A 117 4.258 11.609 -0.279 1.00 0.87 C ATOM 1719 CG TRP A 117 4.351 12.575 0.857 1.00 0.90 C ATOM 1720 CD1 TRP A 117 3.881 13.842 0.876 1.00 1.14 C ATOM 1721 CD2 TRP A 117 4.962 12.345 2.162 1.00 0.82 C ATOM 1722 NE1 TRP A 117 4.170 14.411 2.102 1.00 1.16 N ATOM 1723 CE2 TRP A 117 4.836 13.534 2.933 1.00 0.98 C ATOM 1724 CE3 TRP A 117 5.604 11.246 2.775 1.00 0.73 C ATOM 1725 CZ2 TRP A 117 5.305 13.626 4.252 1.00 1.05 C ATOM 1726 CZ3 TRP A 117 6.046 11.315 4.109 1.00 0.84 C ATOM 1727 CH2 TRP A 117 5.904 12.504 4.846 1.00 0.98 C ATOM 0 H TRP A 117 5.454 12.803 -2.203 1.00 0.72 H new ATOM 0 HA TRP A 117 6.274 11.100 0.027 1.00 0.80 H new ATOM 0 HB2 TRP A 117 3.658 12.050 -1.075 1.00 0.87 H new ATOM 0 HB3 TRP A 117 3.735 10.713 0.055 1.00 0.87 H new ATOM 0 HD1 TRP A 117 3.363 14.331 0.064 1.00 1.14 H new ATOM 0 HE1 TRP A 117 3.921 15.365 2.361 1.00 1.16 H new ATOM 0 HE3 TRP A 117 5.758 10.338 2.211 1.00 0.73 H new ATOM 0 HZ2 TRP A 117 5.206 14.549 4.804 1.00 1.05 H new ATOM 0 HZ3 TRP A 117 6.497 10.449 4.570 1.00 0.84 H new ATOM 0 HH2 TRP A 117 6.255 12.554 5.866 1.00 0.98 H new ATOM 1738 N PHE A 118 6.647 9.120 -1.398 1.00 0.58 N ATOM 1739 CA PHE A 118 6.849 7.829 -2.002 1.00 0.56 C ATOM 1740 C PHE A 118 6.223 6.757 -1.128 1.00 0.51 C ATOM 1741 O PHE A 118 6.524 6.663 0.063 1.00 0.71 O ATOM 1742 CB PHE A 118 8.338 7.588 -2.186 1.00 0.75 C ATOM 1743 CG PHE A 118 8.623 6.423 -3.104 1.00 0.92 C ATOM 1744 CD1 PHE A 118 8.665 5.122 -2.580 1.00 1.35 C ATOM 1745 CD2 PHE A 118 8.826 6.635 -4.480 1.00 2.47 C ATOM 1746 CE1 PHE A 118 8.924 4.037 -3.426 1.00 1.41 C ATOM 1747 CE2 PHE A 118 9.160 5.557 -5.312 1.00 2.68 C ATOM 1748 CZ PHE A 118 9.180 4.252 -4.793 1.00 1.46 C ATOM 0 H PHE A 118 7.415 9.396 -0.786 1.00 0.58 H new ATOM 0 HA PHE A 118 6.371 7.793 -2.981 1.00 0.56 H new ATOM 0 HB2 PHE A 118 8.802 8.488 -2.590 1.00 0.75 H new ATOM 0 HB3 PHE A 118 8.796 7.402 -1.215 1.00 0.75 H new ATOM 0 HD1 PHE A 118 8.498 4.958 -1.526 1.00 1.35 H new ATOM 0 HD2 PHE A 118 8.725 7.627 -4.895 1.00 2.47 H new ATOM 0 HE1 PHE A 118 8.927 3.033 -3.029 1.00 1.41 H new ATOM 0 HE2 PHE A 118 9.402 5.730 -6.350 1.00 2.68 H new ATOM 0 HZ PHE A 118 9.391 3.415 -5.442 1.00 1.46 H new ATOM 1758 N ILE A 119 5.333 5.960 -1.710 1.00 0.54 N ATOM 1759 CA ILE A 119 4.668 4.864 -1.039 1.00 0.59 C ATOM 1760 C ILE A 119 5.173 3.566 -1.663 1.00 0.62 C ATOM 1761 O ILE A 119 5.016 3.364 -2.864 1.00 0.62 O ATOM 1762 CB ILE A 119 3.132 5.031 -1.122 1.00 0.68 C ATOM 1763 CG1 ILE A 119 2.618 6.013 -0.056 1.00 0.74 C ATOM 1764 CG2 ILE A 119 2.403 3.689 -0.960 1.00 0.81 C ATOM 1765 CD1 ILE A 119 2.960 7.474 -0.350 1.00 1.17 C ATOM 0 H ILE A 119 5.052 6.066 -2.685 1.00 0.54 H new ATOM 0 HA ILE A 119 4.900 4.847 0.026 1.00 0.59 H new ATOM 0 HB ILE A 119 2.918 5.430 -2.113 1.00 0.68 H new ATOM 0 HG12 ILE A 119 1.536 5.912 0.027 1.00 0.74 H new ATOM 0 HG13 ILE A 119 3.039 5.738 0.911 1.00 0.74 H new ATOM 0 HG21 ILE A 119 1.327 3.849 -1.024 1.00 0.81 H new ATOM 0 HG22 ILE A 119 2.716 3.007 -1.751 1.00 0.81 H new ATOM 0 HG23 ILE A 119 2.648 3.257 0.010 1.00 0.81 H new ATOM 0 HD11 ILE A 119 2.565 8.107 0.445 1.00 1.17 H new ATOM 0 HD12 ILE A 119 4.042 7.591 -0.403 1.00 1.17 H new ATOM 0 HD13 ILE A 119 2.516 7.767 -1.301 1.00 1.17 H new ATOM 1777 N SER A 120 5.740 2.698 -0.825 1.00 0.76 N ATOM 1778 CA SER A 120 5.895 1.271 -1.057 1.00 0.68 C ATOM 1779 C SER A 120 4.927 0.617 -0.075 1.00 0.61 C ATOM 1780 O SER A 120 4.787 1.117 1.048 1.00 0.73 O ATOM 1781 CB SER A 120 7.328 0.818 -0.734 1.00 0.78 C ATOM 1782 OG SER A 120 8.191 1.030 -1.832 1.00 2.23 O ATOM 0 H SER A 120 6.120 2.990 0.075 1.00 0.76 H new ATOM 0 HA SER A 120 5.699 1.006 -2.096 1.00 0.68 H new ATOM 0 HB2 SER A 120 7.698 1.365 0.133 1.00 0.78 H new ATOM 0 HB3 SER A 120 7.327 -0.239 -0.468 1.00 0.78 H new ATOM 0 HG SER A 120 8.294 0.194 -2.333 1.00 2.23 H new ATOM 1788 N CYS A 121 4.264 -0.471 -0.463 1.00 0.59 N ATOM 1789 CA CYS A 121 3.421 -1.229 0.453 1.00 0.65 C ATOM 1790 C CYS A 121 3.425 -2.707 0.085 1.00 0.61 C ATOM 1791 O CYS A 121 3.030 -3.070 -1.022 1.00 0.95 O ATOM 1792 CB CYS A 121 2.009 -0.643 0.527 1.00 1.09 C ATOM 1793 SG CYS A 121 1.013 -1.451 1.796 1.00 1.53 S ATOM 0 H CYS A 121 4.296 -0.847 -1.411 1.00 0.59 H new ATOM 0 HA CYS A 121 3.838 -1.147 1.457 1.00 0.65 H new ATOM 0 HB2 CYS A 121 2.069 0.425 0.738 1.00 1.09 H new ATOM 0 HB3 CYS A 121 1.520 -0.750 -0.441 1.00 1.09 H new ATOM 1798 N ASN A 122 3.956 -3.546 0.976 1.00 0.50 N ATOM 1799 CA ASN A 122 4.325 -4.931 0.694 1.00 0.46 C ATOM 1800 C ASN A 122 3.139 -5.849 0.926 1.00 0.43 C ATOM 1801 O ASN A 122 2.410 -5.676 1.901 1.00 0.52 O ATOM 1802 CB ASN A 122 5.508 -5.368 1.569 1.00 0.62 C ATOM 1803 CG ASN A 122 6.828 -4.985 0.921 1.00 1.18 C ATOM 1804 OD1 ASN A 122 7.629 -5.847 0.566 1.00 2.09 O ATOM 1805 ND2 ASN A 122 7.058 -3.697 0.715 1.00 2.61 N ATOM 0 H ASN A 122 4.146 -3.272 1.940 1.00 0.50 H new ATOM 0 HA ASN A 122 4.626 -4.998 -0.352 1.00 0.46 H new ATOM 0 HB2 ASN A 122 5.431 -4.902 2.551 1.00 0.62 H new ATOM 0 HB3 ASN A 122 5.473 -6.446 1.724 1.00 0.62 H new ATOM 0 HD21 ASN A 122 7.917 -3.400 0.252 1.00 2.61 H new ATOM 0 HD22 ASN A 122 6.376 -3.002 1.020 1.00 2.61 H new ATOM 1812 N TYR A 123 2.920 -6.784 0.008 1.00 0.62 N ATOM 1813 CA TYR A 123 1.887 -7.806 0.078 1.00 0.63 C ATOM 1814 C TYR A 123 2.571 -9.127 0.429 1.00 0.61 C ATOM 1815 O TYR A 123 3.763 -9.278 0.157 1.00 0.68 O ATOM 1816 CB TYR A 123 1.183 -7.894 -1.285 1.00 0.62 C ATOM 1817 CG TYR A 123 0.484 -6.618 -1.718 1.00 0.70 C ATOM 1818 CD1 TYR A 123 1.221 -5.589 -2.331 1.00 2.07 C ATOM 1819 CD2 TYR A 123 -0.897 -6.448 -1.507 1.00 1.87 C ATOM 1820 CE1 TYR A 123 0.604 -4.374 -2.671 1.00 2.05 C ATOM 1821 CE2 TYR A 123 -1.524 -5.252 -1.898 1.00 1.89 C ATOM 1822 CZ TYR A 123 -0.764 -4.196 -2.422 1.00 0.69 C ATOM 1823 OH TYR A 123 -1.363 -3.038 -2.814 1.00 0.72 O ATOM 0 H TYR A 123 3.482 -6.852 -0.840 1.00 0.62 H new ATOM 0 HA TYR A 123 1.138 -7.571 0.834 1.00 0.63 H new ATOM 0 HB2 TYR A 123 1.919 -8.165 -2.042 1.00 0.62 H new ATOM 0 HB3 TYR A 123 0.450 -8.700 -1.250 1.00 0.62 H new ATOM 0 HD1 TYR A 123 2.270 -5.734 -2.542 1.00 2.07 H new ATOM 0 HD2 TYR A 123 -1.474 -7.235 -1.045 1.00 1.87 H new ATOM 0 HE1 TYR A 123 1.181 -3.580 -3.122 1.00 2.05 H new ATOM 0 HE2 TYR A 123 -2.594 -5.146 -1.795 1.00 1.89 H new ATOM 0 HH TYR A 123 -2.040 -2.780 -2.154 1.00 0.72 H new ATOM 1833 N ASP A 124 1.837 -10.078 1.010 1.00 0.73 N ATOM 1834 CA ASP A 124 2.307 -11.448 1.194 1.00 0.76 C ATOM 1835 C ASP A 124 1.115 -12.398 1.064 1.00 0.75 C ATOM 1836 O ASP A 124 0.115 -12.198 1.762 1.00 0.64 O ATOM 1837 CB ASP A 124 2.985 -11.643 2.559 1.00 0.92 C ATOM 1838 CG ASP A 124 3.442 -13.077 2.759 1.00 1.22 C ATOM 1839 OD1 ASP A 124 2.591 -13.988 2.821 1.00 2.45 O ATOM 1840 OD2 ASP A 124 4.661 -13.300 2.896 1.00 1.91 O ATOM 0 H ASP A 124 0.895 -9.916 1.367 1.00 0.73 H new ATOM 0 HA ASP A 124 3.053 -11.663 0.429 1.00 0.76 H new ATOM 0 HB2 ASP A 124 3.841 -10.974 2.639 1.00 0.92 H new ATOM 0 HB3 ASP A 124 2.291 -11.368 3.353 1.00 0.92 H new ATOM 1845 N PRO A 125 1.209 -13.461 0.252 1.00 0.92 N ATOM 1846 CA PRO A 125 2.275 -13.741 -0.702 1.00 1.02 C ATOM 1847 C PRO A 125 2.347 -12.712 -1.839 1.00 1.01 C ATOM 1848 O PRO A 125 1.550 -11.777 -1.918 1.00 1.02 O ATOM 1849 CB PRO A 125 2.001 -15.157 -1.229 1.00 1.15 C ATOM 1850 CG PRO A 125 0.531 -15.411 -0.901 1.00 1.04 C ATOM 1851 CD PRO A 125 0.320 -14.596 0.372 1.00 0.91 C ATOM 0 HA PRO A 125 3.249 -13.674 -0.217 1.00 1.02 H new ATOM 0 HB2 PRO A 125 2.185 -15.224 -2.301 1.00 1.15 H new ATOM 0 HB3 PRO A 125 2.647 -15.891 -0.748 1.00 1.15 H new ATOM 0 HG2 PRO A 125 -0.125 -15.080 -1.706 1.00 1.04 H new ATOM 0 HG3 PRO A 125 0.330 -16.470 -0.741 1.00 1.04 H new ATOM 0 HD2 PRO A 125 -0.717 -14.275 0.466 1.00 0.91 H new ATOM 0 HD3 PRO A 125 0.552 -15.185 1.259 1.00 0.91 H new ATOM 1859 N VAL A 126 3.339 -12.907 -2.713 1.00 1.05 N ATOM 1860 CA VAL A 126 3.565 -12.124 -3.921 1.00 1.05 C ATOM 1861 C VAL A 126 2.287 -11.996 -4.761 1.00 0.99 C ATOM 1862 O VAL A 126 1.441 -12.891 -4.743 1.00 0.99 O ATOM 1863 CB VAL A 126 4.749 -12.720 -4.711 1.00 1.15 C ATOM 1864 CG1 VAL A 126 6.022 -12.794 -3.854 1.00 1.29 C ATOM 1865 CG2 VAL A 126 4.448 -14.130 -5.238 1.00 1.18 C ATOM 0 H VAL A 126 4.032 -13.645 -2.589 1.00 1.05 H new ATOM 0 HA VAL A 126 3.833 -11.105 -3.642 1.00 1.05 H new ATOM 0 HB VAL A 126 4.905 -12.047 -5.554 1.00 1.15 H new ATOM 0 HG11 VAL A 126 6.834 -13.219 -4.444 1.00 1.29 H new ATOM 0 HG12 VAL A 126 6.298 -11.792 -3.525 1.00 1.29 H new ATOM 0 HG13 VAL A 126 5.838 -13.424 -2.983 1.00 1.29 H new ATOM 0 HG21 VAL A 126 5.312 -14.505 -5.787 1.00 1.18 H new ATOM 0 HG22 VAL A 126 4.234 -14.794 -4.400 1.00 1.18 H new ATOM 0 HG23 VAL A 126 3.584 -14.094 -5.902 1.00 1.18 H new ATOM 1875 N GLY A 127 2.135 -10.896 -5.503 1.00 1.11 N ATOM 1876 CA GLY A 127 0.944 -10.646 -6.287 1.00 1.08 C ATOM 1877 C GLY A 127 1.217 -9.837 -7.543 1.00 1.15 C ATOM 1878 O GLY A 127 2.265 -9.225 -7.712 1.00 1.37 O ATOM 0 H GLY A 127 2.839 -10.161 -5.571 1.00 1.11 H new ATOM 0 HA2 GLY A 127 0.493 -11.598 -6.566 1.00 1.08 H new ATOM 0 HA3 GLY A 127 0.216 -10.117 -5.672 1.00 1.08 H new ATOM 1882 N ASN A 128 0.280 -9.907 -8.490 1.00 1.11 N ATOM 1883 CA ASN A 128 0.531 -9.591 -9.896 1.00 1.20 C ATOM 1884 C ASN A 128 1.657 -10.476 -10.446 1.00 1.30 C ATOM 1885 O ASN A 128 2.303 -10.126 -11.434 1.00 1.51 O ATOM 1886 CB ASN A 128 0.780 -8.081 -10.111 1.00 1.38 C ATOM 1887 CG ASN A 128 -0.412 -7.398 -10.765 1.00 1.63 C ATOM 1888 OD1 ASN A 128 -1.019 -7.931 -11.694 1.00 2.08 O ATOM 1889 ND2 ASN A 128 -0.766 -6.198 -10.328 1.00 2.06 N ATOM 0 H ASN A 128 -0.682 -10.187 -8.300 1.00 1.11 H new ATOM 0 HA ASN A 128 -0.366 -9.819 -10.471 1.00 1.20 H new ATOM 0 HB2 ASN A 128 0.989 -7.607 -9.152 1.00 1.38 H new ATOM 0 HB3 ASN A 128 1.664 -7.944 -10.734 1.00 1.38 H new ATOM 0 HD21 ASN A 128 -1.548 -5.707 -10.762 1.00 2.06 H new ATOM 0 HD22 ASN A 128 -0.257 -5.765 -9.558 1.00 2.06 H new ATOM 1896 N TRP A 129 1.887 -11.617 -9.793 1.00 1.25 N ATOM 1897 CA TRP A 129 2.856 -12.637 -10.146 1.00 1.37 C ATOM 1898 C TRP A 129 2.091 -13.701 -10.941 1.00 1.42 C ATOM 1899 O TRP A 129 0.917 -13.939 -10.664 1.00 1.33 O ATOM 1900 CB TRP A 129 3.498 -13.147 -8.839 1.00 1.31 C ATOM 1901 CG TRP A 129 3.695 -14.618 -8.660 1.00 1.42 C ATOM 1902 CD1 TRP A 129 2.751 -15.495 -8.254 1.00 1.48 C ATOM 1903 CD2 TRP A 129 4.926 -15.391 -8.793 1.00 1.63 C ATOM 1904 NE1 TRP A 129 3.301 -16.756 -8.161 1.00 1.71 N ATOM 1905 CE2 TRP A 129 4.642 -16.752 -8.478 1.00 1.80 C ATOM 1906 CE3 TRP A 129 6.260 -15.077 -9.132 1.00 1.79 C ATOM 1907 CZ2 TRP A 129 5.623 -17.754 -8.521 1.00 2.07 C ATOM 1908 CZ3 TRP A 129 7.259 -16.069 -9.154 1.00 2.03 C ATOM 1909 CH2 TRP A 129 6.940 -17.407 -8.860 1.00 2.16 C ATOM 0 H TRP A 129 1.365 -11.861 -8.952 1.00 1.25 H new ATOM 0 HA TRP A 129 3.677 -12.286 -10.771 1.00 1.37 H new ATOM 0 HB2 TRP A 129 4.473 -12.669 -8.742 1.00 1.31 H new ATOM 0 HB3 TRP A 129 2.885 -12.793 -8.010 1.00 1.31 H new ATOM 0 HD1 TRP A 129 1.723 -15.246 -8.036 1.00 1.48 H new ATOM 0 HE1 TRP A 129 2.779 -17.590 -7.891 1.00 1.71 H new ATOM 0 HE3 TRP A 129 6.519 -14.058 -9.379 1.00 1.79 H new ATOM 0 HZ2 TRP A 129 5.368 -18.779 -8.296 1.00 2.07 H new ATOM 0 HZ3 TRP A 129 8.276 -15.801 -9.398 1.00 2.03 H new ATOM 0 HH2 TRP A 129 7.707 -18.166 -8.895 1.00 2.16 H new ATOM 1920 N ILE A 130 2.698 -14.313 -11.951 1.00 1.77 N ATOM 1921 CA ILE A 130 2.015 -15.325 -12.752 1.00 1.84 C ATOM 1922 C ILE A 130 1.740 -16.576 -11.904 1.00 1.76 C ATOM 1923 O ILE A 130 2.501 -16.887 -10.992 1.00 1.93 O ATOM 1924 CB ILE A 130 2.827 -15.617 -14.035 1.00 2.25 C ATOM 1925 CG1 ILE A 130 1.997 -15.468 -15.322 1.00 2.46 C ATOM 1926 CG2 ILE A 130 3.609 -16.939 -14.007 1.00 2.48 C ATOM 1927 CD1 ILE A 130 0.794 -16.410 -15.430 1.00 3.22 C ATOM 0 H ILE A 130 3.660 -14.128 -12.235 1.00 1.77 H new ATOM 0 HA ILE A 130 1.042 -14.954 -13.076 1.00 1.84 H new ATOM 0 HB ILE A 130 3.584 -14.833 -14.051 1.00 2.25 H new ATOM 0 HG12 ILE A 130 1.641 -14.440 -15.390 1.00 2.46 H new ATOM 0 HG13 ILE A 130 2.649 -15.637 -16.179 1.00 2.46 H new ATOM 0 HG21 ILE A 130 4.149 -17.062 -14.946 1.00 2.48 H new ATOM 0 HG22 ILE A 130 4.319 -16.925 -13.180 1.00 2.48 H new ATOM 0 HG23 ILE A 130 2.915 -17.769 -13.876 1.00 2.48 H new ATOM 0 HD11 ILE A 130 0.273 -16.229 -16.370 1.00 3.22 H new ATOM 0 HD12 ILE A 130 1.138 -17.444 -15.399 1.00 3.22 H new ATOM 0 HD13 ILE A 130 0.114 -16.228 -14.598 1.00 3.22 H new ATOM 1939 N GLY A 131 0.674 -17.317 -12.206 1.00 1.82 N ATOM 1940 CA GLY A 131 0.464 -18.659 -11.681 1.00 2.03 C ATOM 1941 C GLY A 131 -0.562 -18.677 -10.554 1.00 1.80 C ATOM 1942 O GLY A 131 -1.413 -19.564 -10.507 1.00 2.43 O ATOM 0 H GLY A 131 -0.071 -16.998 -12.826 1.00 1.82 H new ATOM 0 HA2 GLY A 131 0.131 -19.315 -12.485 1.00 2.03 H new ATOM 0 HA3 GLY A 131 1.411 -19.058 -11.316 1.00 2.03 H new ATOM 1946 N GLN A 132 -0.520 -17.697 -9.652 1.00 1.54 N ATOM 1947 CA GLN A 132 -1.505 -17.595 -8.581 1.00 1.48 C ATOM 1948 C GLN A 132 -2.740 -16.878 -9.132 1.00 1.37 C ATOM 1949 O GLN A 132 -2.623 -16.055 -10.043 1.00 2.13 O ATOM 1950 CB GLN A 132 -0.928 -16.783 -7.422 1.00 1.54 C ATOM 1951 CG GLN A 132 0.062 -17.527 -6.522 1.00 1.94 C ATOM 1952 CD GLN A 132 0.659 -16.544 -5.516 1.00 1.89 C ATOM 1953 OE1 GLN A 132 -0.005 -15.594 -5.117 1.00 2.73 O ATOM 1954 NE2 GLN A 132 1.917 -16.714 -5.132 1.00 2.06 N ATOM 0 H GLN A 132 0.188 -16.962 -9.644 1.00 1.54 H new ATOM 0 HA GLN A 132 -1.768 -18.590 -8.222 1.00 1.48 H new ATOM 0 HB2 GLN A 132 -0.430 -15.904 -7.830 1.00 1.54 H new ATOM 0 HB3 GLN A 132 -1.753 -16.425 -6.806 1.00 1.54 H new ATOM 0 HG2 GLN A 132 -0.442 -18.340 -6.000 1.00 1.94 H new ATOM 0 HG3 GLN A 132 0.852 -17.976 -7.123 1.00 1.94 H new ATOM 0 HE21 GLN A 132 2.452 -17.512 -5.476 1.00 2.06 H new ATOM 0 HE22 GLN A 132 2.350 -16.047 -4.493 1.00 2.06 H new ATOM 1963 N ARG A 133 -3.922 -17.194 -8.602 1.00 1.47 N ATOM 1964 CA ARG A 133 -5.168 -16.570 -9.033 1.00 1.47 C ATOM 1965 C ARG A 133 -5.408 -15.242 -8.288 1.00 1.17 C ATOM 1966 O ARG A 133 -5.094 -15.148 -7.098 1.00 1.09 O ATOM 1967 CB ARG A 133 -6.340 -17.545 -8.842 1.00 1.79 C ATOM 1968 CG ARG A 133 -6.809 -18.136 -10.179 1.00 2.10 C ATOM 1969 CD ARG A 133 -5.817 -19.117 -10.811 1.00 3.18 C ATOM 1970 NE ARG A 133 -6.352 -19.586 -12.097 1.00 3.59 N ATOM 1971 CZ ARG A 133 -5.645 -20.126 -13.096 1.00 4.82 C ATOM 1972 NH1 ARG A 133 -4.407 -20.568 -12.881 1.00 5.89 N ATOM 1973 NH2 ARG A 133 -6.217 -20.215 -14.293 1.00 5.56 N ATOM 0 H ARG A 133 -4.040 -17.888 -7.864 1.00 1.47 H new ATOM 0 HA ARG A 133 -5.092 -16.334 -10.094 1.00 1.47 H new ATOM 0 HB2 ARG A 133 -6.038 -18.351 -8.174 1.00 1.79 H new ATOM 0 HB3 ARG A 133 -7.170 -17.027 -8.362 1.00 1.79 H new ATOM 0 HG2 ARG A 133 -7.760 -18.646 -10.025 1.00 2.10 H new ATOM 0 HG3 ARG A 133 -6.994 -17.321 -10.879 1.00 2.10 H new ATOM 0 HD2 ARG A 133 -4.853 -18.632 -10.960 1.00 3.18 H new ATOM 0 HD3 ARG A 133 -5.648 -19.962 -10.144 1.00 3.18 H new ATOM 0 HE ARG A 133 -7.357 -19.491 -12.241 1.00 3.59 H new ATOM 0 HH11 ARG A 133 -3.994 -20.496 -11.951 1.00 5.89 H new ATOM 0 HH12 ARG A 133 -3.872 -20.979 -13.646 1.00 5.89 H new ATOM 0 HH21 ARG A 133 -7.169 -19.876 -14.430 1.00 5.56 H new ATOM 0 HH22 ARG A 133 -5.703 -20.622 -15.075 1.00 5.56 H new ATOM 1987 N PRO A 134 -5.949 -14.210 -8.963 1.00 1.15 N ATOM 1988 CA PRO A 134 -6.143 -12.895 -8.376 1.00 0.88 C ATOM 1989 C PRO A 134 -7.506 -12.726 -7.691 1.00 0.73 C ATOM 1990 O PRO A 134 -7.556 -12.136 -6.618 1.00 0.70 O ATOM 1991 CB PRO A 134 -5.974 -11.931 -9.546 1.00 0.96 C ATOM 1992 CG PRO A 134 -6.557 -12.703 -10.727 1.00 1.26 C ATOM 1993 CD PRO A 134 -6.151 -14.146 -10.407 1.00 1.39 C ATOM 0 HA PRO A 134 -5.429 -12.714 -7.572 1.00 0.88 H new ATOM 0 HB2 PRO A 134 -6.506 -10.995 -9.376 1.00 0.96 H new ATOM 0 HB3 PRO A 134 -4.927 -11.677 -9.709 1.00 0.96 H new ATOM 0 HG2 PRO A 134 -7.639 -12.590 -10.792 1.00 1.26 H new ATOM 0 HG3 PRO A 134 -6.143 -12.365 -11.677 1.00 1.26 H new ATOM 0 HD2 PRO A 134 -6.925 -14.846 -10.722 1.00 1.39 H new ATOM 0 HD3 PRO A 134 -5.240 -14.419 -10.939 1.00 1.39 H new ATOM 2001 N TYR A 135 -8.606 -13.180 -8.297 1.00 0.86 N ATOM 2002 CA TYR A 135 -9.959 -13.072 -7.761 1.00 0.81 C ATOM 2003 C TYR A 135 -10.809 -14.152 -8.417 1.00 1.04 C ATOM 2004 O TYR A 135 -11.645 -14.732 -7.698 1.00 2.48 O ATOM 2005 CB TYR A 135 -10.583 -11.675 -7.959 1.00 0.66 C ATOM 2006 CG TYR A 135 -10.551 -11.065 -9.355 1.00 0.63 C ATOM 2007 CD1 TYR A 135 -9.331 -10.587 -9.853 1.00 1.88 C ATOM 2008 CD2 TYR A 135 -11.737 -10.741 -10.044 1.00 1.77 C ATOM 2009 CE1 TYR A 135 -9.262 -9.922 -11.085 1.00 2.06 C ATOM 2010 CE2 TYR A 135 -11.683 -9.986 -11.232 1.00 1.75 C ATOM 2011 CZ TYR A 135 -10.443 -9.582 -11.755 1.00 1.02 C ATOM 2012 OH TYR A 135 -10.357 -8.878 -12.918 1.00 1.36 O ATOM 2013 OXT TYR A 135 -10.286 -14.746 -9.386 1.00 1.67 O ATOM 0 H TYR A 135 -8.575 -13.647 -9.203 1.00 0.86 H new ATOM 0 HA TYR A 135 -9.918 -13.215 -6.681 1.00 0.81 H new ATOM 0 HB2 TYR A 135 -11.625 -11.727 -7.642 1.00 0.66 H new ATOM 0 HB3 TYR A 135 -10.078 -10.986 -7.282 1.00 0.66 H new ATOM 0 HD1 TYR A 135 -8.429 -10.734 -9.278 1.00 1.88 H new ATOM 0 HD2 TYR A 135 -12.690 -11.073 -9.660 1.00 1.77 H new ATOM 0 HE1 TYR A 135 -8.303 -9.673 -11.515 1.00 2.06 H new ATOM 0 HE2 TYR A 135 -12.596 -9.717 -11.742 1.00 1.75 H new ATOM 0 HH TYR A 135 -11.233 -8.862 -13.356 1.00 1.36 H new