USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 957 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: A1000 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A1001 SER OG : rot -174:sc= -0.573 USER MOD Set 2.1: A 971 ASN : amide:sc= -0.137 K(o=-2.5,f=-3.7) USER MOD Set 2.2: A 994 HIS : no HD1:sc= -2.36 K(o=-2.5,f=-3.8) USER MOD Set 3.1: A 973 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 975 HIS :FLIP no HD1:sc= 0.689 F(o=-1.7,f=0.51) USER MOD Set 3.3: A 987 THR OG1 : rot 92:sc= -0.699 USER MOD Set 3.4: A 989 SER OG : rot 25:sc= 0.517 USER MOD Set 4.1: A 903 GLN :FLIP amide:sc= -0.533 F(o=-2.9!,f=-0.53) USER MOD Set 4.2: A 920 SER OG : rot -82:sc= 0.00456 USER MOD Single : A 901 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.017) USER MOD Single : A 907 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.014) USER MOD Single : A 912 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 914 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 915 THR OG1 : rot -160:sc= 0.00919 USER MOD Single : A 916 GLN :FLIP amide:sc= -4.12! C(o=-4.8!,f=-4.1!) USER MOD Single : A 917 THR OG1 : rot -158:sc= 1.92 USER MOD Single : A 918 THR OG1 : rot 180:sc= 0 USER MOD Single : A 926 THR OG1 : rot -128:sc= -2.93! USER MOD Single : A 927 SER OG : rot 180:sc= 0 USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 930 TYR OH : rot 180:sc= 0 USER MOD Single : A 936 TYR OH : rot 180:sc= 0 USER MOD Single : A 937 TYR OH : rot 180:sc= 0 USER MOD Single : A 942 SER OG : rot 180:sc= 0 USER MOD Single : A 944 THR OG1 : rot 40:sc= 1.2 USER MOD Single : A 948 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 952 SER OG : rot 180:sc= 0.513 USER MOD Single : A 953 SER OG : rot 180:sc= 0 USER MOD Single : A 955 LYS NZ :NH3+ -148:sc= -3.49! (180deg=-6.19!) USER MOD Single : A 959 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 961 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0163) USER MOD Single : A 962 SER OG : rot 180:sc= 0 USER MOD Single : A 964 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 965 THR OG1 : rot 180:sc= 0 USER MOD Single : A 978 THR OG1 : rot -67:sc= 0.583 USER MOD Single : A 981 GLN : amide:sc= -7.29! C(o=-7.3!,f=-8.3!) USER MOD Single : A 984 SER OG : rot 167:sc= 0.00532 USER MOD Single : A 988 TYR OH : rot 52:sc= -3.63! USER MOD Single : A 991 THR OG1 : rot 180:sc= 0.499 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 999 HIS : no HD1:sc= -4.77! C(o=-4.8!,f=-5.5!) USER MOD Single : A1007 SER OG : rot -1:sc= -4.11! USER MOD Single : A1009 ASN :FLIP amide:sc= -0.2 F(o=-2.2!,f=-0.2) USER MOD Single : A1010 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A1012 HIS : no HE2:sc= -4.29! C(o=-4.3!,f=-7.4!) USER MOD Single : A1014 SER OG : rot 180:sc= 0 USER MOD Single : A1015 THR OG1 : rot -171:sc= -1.72! USER MOD Single : A1016 LYS NZ :NH3+ -140:sc= 0.986 (180deg=-0.721) USER MOD Single : A1021 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N ALA A 900 37.179 -4.784 -3.518 1.00 0.00 N ATOM 44 CA ALA A 900 35.932 -5.482 -3.805 1.00 0.00 C ATOM 45 C ALA A 900 34.774 -4.501 -3.949 1.00 0.00 C ATOM 46 O ALA A 900 34.472 -3.740 -3.030 1.00 0.00 O ATOM 47 CB ALA A 900 35.637 -6.493 -2.708 1.00 0.00 C ATOM 0 HA ALA A 900 36.045 -6.008 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 900 34.703 -7.010 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 900 36.449 -7.218 -2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 900 35.547 -5.977 -1.752 1.00 0.00 H new ATOM 53 N HIS A 901 34.125 -4.533 -5.108 1.00 0.00 N ATOM 54 CA HIS A 901 32.991 -3.656 -5.379 1.00 0.00 C ATOM 55 C HIS A 901 31.694 -4.447 -5.445 1.00 0.00 C ATOM 56 O HIS A 901 31.569 -5.388 -6.229 1.00 0.00 O ATOM 57 CB HIS A 901 33.205 -2.898 -6.693 1.00 0.00 C ATOM 58 CG HIS A 901 34.092 -1.701 -6.558 1.00 0.00 C ATOM 59 ND1 HIS A 901 34.627 -1.031 -7.640 1.00 0.00 N ATOM 60 CD2 HIS A 901 34.518 -1.038 -5.460 1.00 0.00 C ATOM 61 CE1 HIS A 901 35.346 -0.010 -7.209 1.00 0.00 C ATOM 62 NE2 HIS A 901 35.296 0.009 -5.890 1.00 0.00 N ATOM 0 H HIS A 901 34.366 -5.159 -5.877 1.00 0.00 H new ATOM 0 HA HIS A 901 32.918 -2.939 -4.561 1.00 0.00 H new ATOM 0 HB2 HIS A 901 33.636 -3.578 -7.428 1.00 0.00 H new ATOM 0 HB3 HIS A 901 32.237 -2.580 -7.081 1.00 0.00 H new ATOM 0 HD2 HIS A 901 34.289 -1.286 -4.434 1.00 0.00 H new ATOM 0 HE1 HIS A 901 35.884 0.691 -7.831 1.00 0.00 H new ATOM 0 HE2 HIS A 901 35.759 0.690 -5.288 1.00 0.00 H new ATOM 71 N CYS A 902 30.726 -4.052 -4.629 1.00 0.00 N ATOM 72 CA CYS A 902 29.434 -4.721 -4.610 1.00 0.00 C ATOM 73 C CYS A 902 28.551 -4.203 -5.731 1.00 0.00 C ATOM 74 O CYS A 902 28.304 -3.001 -5.840 1.00 0.00 O ATOM 75 CB CYS A 902 28.747 -4.524 -3.257 1.00 0.00 C ATOM 76 SG CYS A 902 28.922 -2.850 -2.566 1.00 0.00 S ATOM 0 H CYS A 902 30.811 -3.275 -3.974 1.00 0.00 H new ATOM 0 HA CYS A 902 29.598 -5.788 -4.762 1.00 0.00 H new ATOM 0 HB2 CYS A 902 27.686 -4.751 -3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 902 29.156 -5.242 -2.547 1.00 0.00 H new ATOM 81 N GLN A 903 28.082 -5.120 -6.566 1.00 0.00 N ATOM 82 CA GLN A 903 27.227 -4.759 -7.687 1.00 0.00 C ATOM 83 C GLN A 903 25.957 -4.083 -7.196 1.00 0.00 C ATOM 84 O GLN A 903 25.687 -4.038 -5.996 1.00 0.00 O ATOM 85 CB GLN A 903 26.863 -5.991 -8.514 1.00 0.00 C ATOM 86 CG GLN A 903 28.065 -6.711 -9.103 1.00 0.00 C ATOM 87 CD GLN A 903 28.824 -5.879 -10.123 1.00 0.00 C ATOM 88 OE1 GLN A 903 28.276 -4.723 -10.487 1.00 0.00 O flip ATOM 89 NE2 GLN A 903 29.890 -6.278 -10.591 1.00 0.00 N flip ATOM 0 H GLN A 903 28.279 -6.118 -6.488 1.00 0.00 H new ATOM 0 HA GLN A 903 27.782 -4.063 -8.317 1.00 0.00 H new ATOM 0 HB2 GLN A 903 26.306 -6.687 -7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 903 26.199 -5.690 -9.324 1.00 0.00 H new ATOM 0 HG2 GLN A 903 28.743 -6.991 -8.297 1.00 0.00 H new ATOM 0 HG3 GLN A 903 27.731 -7.635 -9.575 1.00 0.00 H new ATOM 0 HE21 GLN A 903 30.278 -7.171 -10.286 1.00 0.00 H new ATOM 0 HE22 GLN A 903 30.385 -5.716 -11.283 1.00 0.00 H new ATOM 98 N ALA A 904 25.183 -3.565 -8.138 1.00 0.00 N ATOM 99 CA ALA A 904 23.932 -2.893 -7.822 1.00 0.00 C ATOM 100 C ALA A 904 23.128 -3.690 -6.797 1.00 0.00 C ATOM 101 O ALA A 904 22.998 -4.909 -6.914 1.00 0.00 O ATOM 102 CB ALA A 904 23.126 -2.686 -9.091 1.00 0.00 C ATOM 0 H ALA A 904 25.402 -3.598 -9.134 1.00 0.00 H new ATOM 0 HA ALA A 904 24.159 -1.921 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 904 22.190 -2.182 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 904 23.697 -2.074 -9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 904 22.911 -3.652 -9.547 1.00 0.00 H new ATOM 108 N PRO A 905 22.586 -3.012 -5.767 1.00 0.00 N ATOM 109 CA PRO A 905 21.800 -3.663 -4.716 1.00 0.00 C ATOM 110 C PRO A 905 20.413 -4.075 -5.193 1.00 0.00 C ATOM 111 O PRO A 905 19.424 -3.877 -4.490 1.00 0.00 O ATOM 112 CB PRO A 905 21.679 -2.595 -3.619 1.00 0.00 C ATOM 113 CG PRO A 905 22.511 -1.433 -4.062 1.00 0.00 C ATOM 114 CD PRO A 905 22.705 -1.567 -5.544 1.00 0.00 C ATOM 0 HA PRO A 905 22.279 -4.583 -4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 905 20.640 -2.297 -3.481 1.00 0.00 H new ATOM 0 HB3 PRO A 905 22.030 -2.981 -2.662 1.00 0.00 H new ATOM 0 HG2 PRO A 905 22.016 -0.492 -3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 905 23.472 -1.429 -3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 905 21.952 -1.010 -6.101 1.00 0.00 H new ATOM 0 HD3 PRO A 905 23.678 -1.190 -5.859 1.00 0.00 H new ATOM 122 N ASP A 906 20.352 -4.654 -6.385 1.00 0.00 N ATOM 123 CA ASP A 906 19.088 -5.099 -6.967 1.00 0.00 C ATOM 124 C ASP A 906 18.089 -3.956 -7.099 1.00 0.00 C ATOM 125 O ASP A 906 18.136 -2.973 -6.360 1.00 0.00 O ATOM 126 CB ASP A 906 18.481 -6.232 -6.142 1.00 0.00 C ATOM 127 CG ASP A 906 17.010 -6.449 -6.436 1.00 0.00 C ATOM 128 OD1 ASP A 906 16.676 -6.758 -7.599 1.00 0.00 O ATOM 129 OD2 ASP A 906 16.192 -6.310 -5.503 1.00 0.00 O ATOM 0 H ASP A 906 21.167 -4.828 -6.973 1.00 0.00 H new ATOM 0 HA ASP A 906 19.309 -5.467 -7.969 1.00 0.00 H new ATOM 0 HB2 ASP A 906 19.027 -7.154 -6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 906 18.606 -6.011 -5.082 1.00 0.00 H new ATOM 134 N HIS A 907 17.184 -4.098 -8.054 1.00 0.00 N ATOM 135 CA HIS A 907 16.163 -3.085 -8.299 1.00 0.00 C ATOM 136 C HIS A 907 14.991 -3.255 -7.334 1.00 0.00 C ATOM 137 O HIS A 907 14.367 -4.315 -7.284 1.00 0.00 O ATOM 138 CB HIS A 907 15.670 -3.170 -9.747 1.00 0.00 C ATOM 139 CG HIS A 907 14.771 -2.041 -10.154 1.00 0.00 C ATOM 140 ND1 HIS A 907 14.208 -1.945 -11.409 1.00 0.00 N ATOM 141 CD2 HIS A 907 14.344 -0.951 -9.469 1.00 0.00 C ATOM 142 CE1 HIS A 907 13.476 -0.848 -11.480 1.00 0.00 C ATOM 143 NE2 HIS A 907 13.542 -0.227 -10.317 1.00 0.00 N ATOM 0 H HIS A 907 17.133 -4.906 -8.675 1.00 0.00 H new ATOM 0 HA HIS A 907 16.607 -2.103 -8.133 1.00 0.00 H new ATOM 0 HB2 HIS A 907 16.533 -3.192 -10.413 1.00 0.00 H new ATOM 0 HB3 HIS A 907 15.138 -4.112 -9.884 1.00 0.00 H new ATOM 0 HD2 HIS A 907 14.589 -0.699 -8.448 1.00 0.00 H new ATOM 0 HE1 HIS A 907 12.918 -0.515 -12.343 1.00 0.00 H new ATOM 0 HE2 HIS A 907 13.073 0.649 -10.086 1.00 0.00 H new ATOM 152 N PHE A 908 14.699 -2.205 -6.570 1.00 0.00 N ATOM 153 CA PHE A 908 13.601 -2.242 -5.608 1.00 0.00 C ATOM 154 C PHE A 908 12.275 -1.875 -6.265 1.00 0.00 C ATOM 155 O PHE A 908 12.217 -1.004 -7.133 1.00 0.00 O ATOM 156 CB PHE A 908 13.878 -1.310 -4.430 1.00 0.00 C ATOM 157 CG PHE A 908 15.032 -1.748 -3.572 1.00 0.00 C ATOM 158 CD1 PHE A 908 16.316 -1.800 -4.086 1.00 0.00 C ATOM 159 CD2 PHE A 908 14.830 -2.107 -2.249 1.00 0.00 C ATOM 160 CE1 PHE A 908 17.377 -2.201 -3.296 1.00 0.00 C ATOM 161 CE2 PHE A 908 15.885 -2.508 -1.455 1.00 0.00 C ATOM 162 CZ PHE A 908 17.161 -2.555 -1.978 1.00 0.00 C ATOM 0 H PHE A 908 15.206 -1.320 -6.598 1.00 0.00 H new ATOM 0 HA PHE A 908 13.527 -3.264 -5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 908 14.079 -0.308 -4.810 1.00 0.00 H new ATOM 0 HB3 PHE A 908 12.982 -1.243 -3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 908 16.491 -1.524 -5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 908 13.834 -2.073 -1.834 1.00 0.00 H new ATOM 0 HE1 PHE A 908 18.374 -2.238 -3.709 1.00 0.00 H new ATOM 0 HE2 PHE A 908 15.712 -2.785 -0.425 1.00 0.00 H new ATOM 0 HZ PHE A 908 17.989 -2.868 -1.359 1.00 0.00 H new ATOM 172 N LEU A 909 11.216 -2.560 -5.849 1.00 0.00 N ATOM 173 CA LEU A 909 9.883 -2.328 -6.394 1.00 0.00 C ATOM 174 C LEU A 909 9.154 -1.223 -5.645 1.00 0.00 C ATOM 175 O LEU A 909 8.866 -0.163 -6.198 1.00 0.00 O ATOM 176 CB LEU A 909 9.057 -3.610 -6.313 1.00 0.00 C ATOM 177 CG LEU A 909 9.569 -4.775 -7.156 1.00 0.00 C ATOM 178 CD1 LEU A 909 9.541 -4.410 -8.631 1.00 0.00 C ATOM 179 CD2 LEU A 909 10.971 -5.188 -6.735 1.00 0.00 C ATOM 0 H LEU A 909 11.255 -3.285 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 909 10.003 -2.021 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 909 9.014 -3.929 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 909 8.036 -3.384 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 909 8.908 -5.626 -6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 909 9.909 -5.250 -9.221 1.00 0.00 H new ATOM 0 HD12 LEU A 909 8.519 -4.177 -8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 909 10.176 -3.541 -8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 909 11.307 -6.020 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 909 11.651 -4.345 -6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 909 10.961 -5.495 -5.689 1.00 0.00 H new ATOM 191 N PHE A 910 8.857 -1.491 -4.379 1.00 0.00 N ATOM 192 CA PHE A 910 8.158 -0.534 -3.538 1.00 0.00 C ATOM 193 C PHE A 910 9.132 0.477 -2.962 1.00 0.00 C ATOM 194 O PHE A 910 8.748 1.578 -2.578 1.00 0.00 O ATOM 195 CB PHE A 910 7.408 -1.259 -2.415 1.00 0.00 C ATOM 196 CG PHE A 910 8.239 -2.267 -1.668 1.00 0.00 C ATOM 197 CD1 PHE A 910 9.351 -1.877 -0.937 1.00 0.00 C ATOM 198 CD2 PHE A 910 7.906 -3.612 -1.700 1.00 0.00 C ATOM 199 CE1 PHE A 910 10.111 -2.807 -0.253 1.00 0.00 C ATOM 200 CE2 PHE A 910 8.661 -4.546 -1.020 1.00 0.00 C ATOM 201 CZ PHE A 910 9.766 -4.143 -0.295 1.00 0.00 C ATOM 0 H PHE A 910 9.092 -2.368 -3.913 1.00 0.00 H new ATOM 0 HA PHE A 910 7.431 -0.000 -4.150 1.00 0.00 H new ATOM 0 HB2 PHE A 910 7.032 -0.519 -1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 910 6.540 -1.764 -2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 910 9.627 -0.833 -0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 910 7.044 -3.934 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 910 10.974 -2.489 0.314 1.00 0.00 H new ATOM 0 HE2 PHE A 910 8.388 -5.590 -1.055 1.00 0.00 H new ATOM 0 HZ PHE A 910 10.359 -4.872 0.238 1.00 0.00 H new ATOM 211 N ALA A 911 10.397 0.094 -2.913 1.00 0.00 N ATOM 212 CA ALA A 911 11.429 0.978 -2.390 1.00 0.00 C ATOM 213 C ALA A 911 11.967 1.881 -3.491 1.00 0.00 C ATOM 214 O ALA A 911 12.093 1.463 -4.642 1.00 0.00 O ATOM 215 CB ALA A 911 12.549 0.174 -1.756 1.00 0.00 C ATOM 0 H ALA A 911 10.734 -0.816 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 911 10.985 1.608 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 911 13.311 0.852 -1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 911 12.149 -0.425 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 911 12.993 -0.484 -2.503 1.00 0.00 H new ATOM 221 N LYS A 912 12.269 3.125 -3.139 1.00 0.00 N ATOM 222 CA LYS A 912 12.774 4.087 -4.111 1.00 0.00 C ATOM 223 C LYS A 912 14.039 4.773 -3.603 1.00 0.00 C ATOM 224 O LYS A 912 14.040 5.379 -2.532 1.00 0.00 O ATOM 225 CB LYS A 912 11.694 5.129 -4.411 1.00 0.00 C ATOM 226 CG LYS A 912 12.096 6.142 -5.468 1.00 0.00 C ATOM 227 CD LYS A 912 10.977 7.134 -5.748 1.00 0.00 C ATOM 228 CE LYS A 912 10.667 7.993 -4.532 1.00 0.00 C ATOM 229 NZ LYS A 912 9.574 8.967 -4.804 1.00 0.00 N ATOM 0 H LYS A 912 12.174 3.490 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 912 13.028 3.551 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 912 10.789 4.617 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 912 11.446 5.657 -3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 912 12.985 6.679 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 912 12.361 5.622 -6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 912 11.260 7.775 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 912 10.080 6.594 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 912 10.383 7.352 -3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 912 11.565 8.531 -4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 912 9.393 9.533 -3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 912 9.855 9.596 -5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 912 8.709 8.453 -5.068 1.00 0.00 H new ATOM 243 N LEU A 913 15.113 4.671 -4.385 1.00 0.00 N ATOM 244 CA LEU A 913 16.392 5.280 -4.028 1.00 0.00 C ATOM 245 C LEU A 913 16.193 6.738 -3.622 1.00 0.00 C ATOM 246 O LEU A 913 15.765 7.565 -4.428 1.00 0.00 O ATOM 247 CB LEU A 913 17.368 5.172 -5.211 1.00 0.00 C ATOM 248 CG LEU A 913 18.828 5.564 -4.928 1.00 0.00 C ATOM 249 CD1 LEU A 913 18.981 7.071 -4.805 1.00 0.00 C ATOM 250 CD2 LEU A 913 19.349 4.864 -3.681 1.00 0.00 C ATOM 0 H LEU A 913 15.122 4.170 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 913 16.815 4.747 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 913 17.354 4.144 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 913 16.996 5.800 -6.020 1.00 0.00 H new ATOM 0 HG LEU A 913 19.428 5.236 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 913 20.024 7.316 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 913 18.669 7.546 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 913 18.360 7.434 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 913 20.383 5.159 -3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 913 18.739 5.147 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 913 19.298 3.784 -3.822 1.00 0.00 H new ATOM 262 N LYS A 914 16.501 7.044 -2.367 1.00 0.00 N ATOM 263 CA LYS A 914 16.352 8.400 -1.848 1.00 0.00 C ATOM 264 C LYS A 914 17.655 9.181 -1.987 1.00 0.00 C ATOM 265 O LYS A 914 17.650 10.355 -2.360 1.00 0.00 O ATOM 266 CB LYS A 914 15.904 8.353 -0.382 1.00 0.00 C ATOM 267 CG LYS A 914 15.605 9.719 0.227 1.00 0.00 C ATOM 268 CD LYS A 914 16.870 10.441 0.669 1.00 0.00 C ATOM 269 CE LYS A 914 17.588 9.681 1.774 1.00 0.00 C ATOM 270 NZ LYS A 914 18.818 10.388 2.227 1.00 0.00 N ATOM 0 H LYS A 914 16.856 6.371 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 914 15.589 8.914 -2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 914 15.012 7.731 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 914 16.681 7.867 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 914 15.075 10.332 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 914 14.941 9.596 1.083 1.00 0.00 H new ATOM 0 HD2 LYS A 914 17.538 10.562 -0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 914 16.616 11.441 1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 914 16.914 9.548 2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 914 17.852 8.686 1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 914 19.277 9.837 2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 914 19.473 10.493 1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 914 18.564 11.328 2.592 1.00 0.00 H new ATOM 284 N THR A 915 18.767 8.521 -1.680 1.00 0.00 N ATOM 285 CA THR A 915 20.082 9.145 -1.763 1.00 0.00 C ATOM 286 C THR A 915 20.434 9.475 -3.219 1.00 0.00 C ATOM 287 O THR A 915 19.652 10.121 -3.918 1.00 0.00 O ATOM 288 CB THR A 915 21.160 8.229 -1.146 1.00 0.00 C ATOM 289 OG1 THR A 915 20.674 7.665 0.078 1.00 0.00 O ATOM 290 CG2 THR A 915 22.439 9.001 -0.862 1.00 0.00 C ATOM 0 H THR A 915 18.783 7.549 -1.370 1.00 0.00 H new ATOM 0 HA THR A 915 20.052 10.075 -1.195 1.00 0.00 H new ATOM 0 HB THR A 915 21.380 7.438 -1.863 1.00 0.00 H new ATOM 0 HG1 THR A 915 21.431 7.356 0.619 1.00 0.00 H new ATOM 0 HG21 THR A 915 23.180 8.330 -0.428 1.00 0.00 H new ATOM 0 HG22 THR A 915 22.827 9.417 -1.792 1.00 0.00 H new ATOM 0 HG23 THR A 915 22.228 9.810 -0.163 1.00 0.00 H new ATOM 298 N GLN A 916 21.602 9.028 -3.680 1.00 0.00 N ATOM 299 CA GLN A 916 22.031 9.278 -5.053 1.00 0.00 C ATOM 300 C GLN A 916 23.321 8.522 -5.354 1.00 0.00 C ATOM 301 O GLN A 916 24.218 8.450 -4.513 1.00 0.00 O ATOM 302 CB GLN A 916 22.230 10.777 -5.301 1.00 0.00 C ATOM 303 CG GLN A 916 23.465 11.353 -4.631 1.00 0.00 C ATOM 304 CD GLN A 916 23.417 11.262 -3.120 1.00 0.00 C ATOM 305 OE1 GLN A 916 24.407 10.596 -2.538 1.00 0.00 O flip ATOM 306 NE2 GLN A 916 22.505 11.788 -2.483 1.00 0.00 N flip ATOM 0 H GLN A 916 22.266 8.492 -3.122 1.00 0.00 H new ATOM 0 HA GLN A 916 21.247 8.920 -5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 916 22.296 10.952 -6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 916 21.351 11.314 -4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 916 24.347 10.825 -4.993 1.00 0.00 H new ATOM 0 HG3 GLN A 916 23.576 12.397 -4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 916 21.765 12.290 -2.973 1.00 0.00 H new ATOM 0 HE22 GLN A 916 22.490 11.722 -1.465 1.00 0.00 H new ATOM 315 N THR A 917 23.408 7.951 -6.552 1.00 0.00 N ATOM 316 CA THR A 917 24.591 7.196 -6.943 1.00 0.00 C ATOM 317 C THR A 917 24.743 7.110 -8.459 1.00 0.00 C ATOM 318 O THR A 917 25.791 7.462 -9.002 1.00 0.00 O ATOM 319 CB THR A 917 24.556 5.774 -6.355 1.00 0.00 C ATOM 320 OG1 THR A 917 25.583 4.974 -6.950 1.00 0.00 O ATOM 321 CG2 THR A 917 23.196 5.125 -6.575 1.00 0.00 C ATOM 0 H THR A 917 22.678 7.997 -7.263 1.00 0.00 H new ATOM 0 HA THR A 917 25.449 7.735 -6.543 1.00 0.00 H new ATOM 0 HB THR A 917 24.730 5.844 -5.281 1.00 0.00 H new ATOM 0 HG1 THR A 917 25.357 4.025 -6.852 1.00 0.00 H new ATOM 0 HG21 THR A 917 23.199 4.121 -6.150 1.00 0.00 H new ATOM 0 HG22 THR A 917 22.425 5.723 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 917 22.990 5.066 -7.644 1.00 0.00 H new ATOM 329 N THR A 918 23.701 6.637 -9.139 1.00 0.00 N ATOM 330 CA THR A 918 23.736 6.505 -10.591 1.00 0.00 C ATOM 331 C THR A 918 24.953 5.687 -11.028 1.00 0.00 C ATOM 332 O THR A 918 25.795 6.160 -11.792 1.00 0.00 O ATOM 333 CB THR A 918 23.766 7.884 -11.283 1.00 0.00 C ATOM 334 OG1 THR A 918 22.696 8.699 -10.789 1.00 0.00 O ATOM 335 CG2 THR A 918 23.634 7.740 -12.793 1.00 0.00 C ATOM 0 H THR A 918 22.825 6.340 -8.708 1.00 0.00 H new ATOM 0 HA THR A 918 22.825 5.987 -10.892 1.00 0.00 H new ATOM 0 HB THR A 918 24.723 8.355 -11.060 1.00 0.00 H new ATOM 0 HG1 THR A 918 22.721 9.574 -11.230 1.00 0.00 H new ATOM 0 HG21 THR A 918 23.658 8.726 -13.256 1.00 0.00 H new ATOM 0 HG22 THR A 918 24.460 7.140 -13.175 1.00 0.00 H new ATOM 0 HG23 THR A 918 22.689 7.251 -13.031 1.00 0.00 H new ATOM 343 N ALA A 919 25.046 4.460 -10.522 1.00 0.00 N ATOM 344 CA ALA A 919 26.165 3.579 -10.845 1.00 0.00 C ATOM 345 C ALA A 919 25.865 2.139 -10.442 1.00 0.00 C ATOM 346 O ALA A 919 25.029 1.888 -9.575 1.00 0.00 O ATOM 347 CB ALA A 919 27.429 4.068 -10.156 1.00 0.00 C ATOM 0 H ALA A 919 24.360 4.053 -9.886 1.00 0.00 H new ATOM 0 HA ALA A 919 26.316 3.601 -11.924 1.00 0.00 H new ATOM 0 HB1 ALA A 919 28.258 3.405 -10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 919 27.660 5.078 -10.494 1.00 0.00 H new ATOM 0 HB3 ALA A 919 27.277 4.072 -9.077 1.00 0.00 H new ATOM 353 N SER A 920 26.547 1.194 -11.086 1.00 0.00 N ATOM 354 CA SER A 920 26.349 -0.224 -10.804 1.00 0.00 C ATOM 355 C SER A 920 27.252 -0.700 -9.667 1.00 0.00 C ATOM 356 O SER A 920 26.807 -1.416 -8.770 1.00 0.00 O ATOM 357 CB SER A 920 26.616 -1.052 -12.057 1.00 0.00 C ATOM 358 OG SER A 920 26.429 -2.433 -11.808 1.00 0.00 O ATOM 0 H SER A 920 27.242 1.386 -11.807 1.00 0.00 H new ATOM 0 HA SER A 920 25.313 -0.359 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 920 25.949 -0.731 -12.857 1.00 0.00 H new ATOM 0 HB3 SER A 920 27.635 -0.877 -12.401 1.00 0.00 H new ATOM 0 HG SER A 920 27.238 -2.804 -11.399 1.00 0.00 H new ATOM 364 N ASP A 921 28.519 -0.303 -9.713 1.00 0.00 N ATOM 365 CA ASP A 921 29.484 -0.692 -8.687 1.00 0.00 C ATOM 366 C ASP A 921 29.398 0.235 -7.481 1.00 0.00 C ATOM 367 O ASP A 921 29.201 1.442 -7.627 1.00 0.00 O ATOM 368 CB ASP A 921 30.904 -0.678 -9.259 1.00 0.00 C ATOM 369 CG ASP A 921 31.072 -1.640 -10.419 1.00 0.00 C ATOM 370 OD1 ASP A 921 30.088 -2.321 -10.776 1.00 0.00 O ATOM 371 OD2 ASP A 921 32.190 -1.712 -10.971 1.00 0.00 O ATOM 0 H ASP A 921 28.903 0.288 -10.450 1.00 0.00 H new ATOM 0 HA ASP A 921 29.243 -1.704 -8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 921 31.149 0.331 -9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 921 31.612 -0.936 -8.472 1.00 0.00 H new ATOM 376 N PHE A 922 29.544 -0.336 -6.289 1.00 0.00 N ATOM 377 CA PHE A 922 29.476 0.444 -5.058 1.00 0.00 C ATOM 378 C PHE A 922 30.590 0.065 -4.090 1.00 0.00 C ATOM 379 O PHE A 922 30.889 -1.115 -3.901 1.00 0.00 O ATOM 380 CB PHE A 922 28.132 0.245 -4.358 1.00 0.00 C ATOM 381 CG PHE A 922 26.963 0.834 -5.087 1.00 0.00 C ATOM 382 CD1 PHE A 922 26.452 0.226 -6.221 1.00 0.00 C ATOM 383 CD2 PHE A 922 26.377 2.002 -4.633 1.00 0.00 C ATOM 384 CE1 PHE A 922 25.374 0.773 -6.887 1.00 0.00 C ATOM 385 CE2 PHE A 922 25.302 2.555 -5.295 1.00 0.00 C ATOM 386 CZ PHE A 922 24.798 1.941 -6.424 1.00 0.00 C ATOM 0 H PHE A 922 29.710 -1.333 -6.150 1.00 0.00 H new ATOM 0 HA PHE A 922 29.592 1.489 -5.344 1.00 0.00 H new ATOM 0 HB2 PHE A 922 27.960 -0.823 -4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 922 28.185 0.687 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 922 26.901 -0.685 -6.588 1.00 0.00 H new ATOM 0 HD2 PHE A 922 26.766 2.486 -3.750 1.00 0.00 H new ATOM 0 HE1 PHE A 922 24.981 0.289 -7.769 1.00 0.00 H new ATOM 0 HE2 PHE A 922 24.854 3.468 -4.931 1.00 0.00 H new ATOM 0 HZ PHE A 922 23.956 2.372 -6.944 1.00 0.00 H new ATOM 396 N PRO A 923 31.210 1.068 -3.448 1.00 0.00 N ATOM 397 CA PRO A 923 32.279 0.839 -2.475 1.00 0.00 C ATOM 398 C PRO A 923 31.731 0.277 -1.167 1.00 0.00 C ATOM 399 O PRO A 923 30.752 0.792 -0.627 1.00 0.00 O ATOM 400 CB PRO A 923 32.862 2.235 -2.260 1.00 0.00 C ATOM 401 CG PRO A 923 31.728 3.163 -2.534 1.00 0.00 C ATOM 402 CD PRO A 923 30.899 2.504 -3.603 1.00 0.00 C ATOM 0 HA PRO A 923 33.013 0.111 -2.821 1.00 0.00 H new ATOM 0 HB2 PRO A 923 33.236 2.356 -1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 923 33.699 2.423 -2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 923 31.138 3.334 -1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 923 32.092 4.135 -2.867 1.00 0.00 H new ATOM 0 HD2 PRO A 923 29.836 2.701 -3.465 1.00 0.00 H new ATOM 0 HD3 PRO A 923 31.164 2.867 -4.596 1.00 0.00 H new ATOM 410 N ILE A 924 32.357 -0.781 -0.664 1.00 0.00 N ATOM 411 CA ILE A 924 31.914 -1.405 0.578 1.00 0.00 C ATOM 412 C ILE A 924 31.891 -0.399 1.725 1.00 0.00 C ATOM 413 O ILE A 924 32.689 0.537 1.764 1.00 0.00 O ATOM 414 CB ILE A 924 32.796 -2.604 0.961 1.00 0.00 C ATOM 415 CG1 ILE A 924 32.893 -3.588 -0.209 1.00 0.00 C ATOM 416 CG2 ILE A 924 32.219 -3.289 2.188 1.00 0.00 C ATOM 417 CD1 ILE A 924 33.807 -4.765 0.061 1.00 0.00 C ATOM 0 H ILE A 924 33.169 -1.223 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 924 30.901 -1.766 0.402 1.00 0.00 H new ATOM 0 HB ILE A 924 33.801 -2.251 1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 924 31.896 -3.960 -0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 924 33.250 -3.056 -1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 924 32.845 -4.139 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 924 32.187 -2.583 3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 924 31.210 -3.637 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 924 33.826 -5.419 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 924 34.815 -4.404 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 924 33.439 -5.321 0.923 1.00 0.00 H new ATOM 429 N GLY A 925 30.951 -0.593 2.645 1.00 0.00 N ATOM 430 CA GLY A 925 30.806 0.308 3.772 1.00 0.00 C ATOM 431 C GLY A 925 29.753 1.360 3.502 1.00 0.00 C ATOM 432 O GLY A 925 29.050 1.805 4.410 1.00 0.00 O ATOM 0 H GLY A 925 30.283 -1.364 2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 925 30.536 -0.260 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 925 31.761 0.791 3.980 1.00 0.00 H new ATOM 436 N THR A 926 29.649 1.748 2.238 1.00 0.00 N ATOM 437 CA THR A 926 28.684 2.747 1.801 1.00 0.00 C ATOM 438 C THR A 926 27.251 2.365 2.172 1.00 0.00 C ATOM 439 O THR A 926 26.830 1.222 1.984 1.00 0.00 O ATOM 440 CB THR A 926 28.775 2.951 0.278 1.00 0.00 C ATOM 441 OG1 THR A 926 30.001 3.608 -0.056 1.00 0.00 O ATOM 442 CG2 THR A 926 27.599 3.760 -0.238 1.00 0.00 C ATOM 0 H THR A 926 30.232 1.379 1.487 1.00 0.00 H new ATOM 0 HA THR A 926 28.933 3.675 2.317 1.00 0.00 H new ATOM 0 HB THR A 926 28.749 1.970 -0.197 1.00 0.00 H new ATOM 0 HG1 THR A 926 29.811 4.389 -0.617 1.00 0.00 H new ATOM 0 HG21 THR A 926 27.691 3.888 -1.317 1.00 0.00 H new ATOM 0 HG22 THR A 926 26.670 3.236 -0.012 1.00 0.00 H new ATOM 0 HG23 THR A 926 27.591 4.738 0.244 1.00 0.00 H new ATOM 450 N SER A 927 26.504 3.341 2.681 1.00 0.00 N ATOM 451 CA SER A 927 25.110 3.136 3.067 1.00 0.00 C ATOM 452 C SER A 927 24.177 3.816 2.070 1.00 0.00 C ATOM 453 O SER A 927 24.478 4.899 1.568 1.00 0.00 O ATOM 454 CB SER A 927 24.856 3.685 4.472 1.00 0.00 C ATOM 455 OG SER A 927 25.209 5.055 4.556 1.00 0.00 O ATOM 0 H SER A 927 26.844 4.290 2.837 1.00 0.00 H new ATOM 0 HA SER A 927 24.910 2.065 3.066 1.00 0.00 H new ATOM 0 HB2 SER A 927 23.804 3.561 4.730 1.00 0.00 H new ATOM 0 HB3 SER A 927 25.432 3.113 5.199 1.00 0.00 H new ATOM 0 HG SER A 927 25.036 5.382 5.463 1.00 0.00 H new ATOM 461 N LEU A 928 23.044 3.182 1.790 1.00 0.00 N ATOM 462 CA LEU A 928 22.074 3.742 0.854 1.00 0.00 C ATOM 463 C LEU A 928 20.663 3.672 1.424 1.00 0.00 C ATOM 464 O LEU A 928 20.138 2.592 1.687 1.00 0.00 O ATOM 465 CB LEU A 928 22.131 2.999 -0.482 1.00 0.00 C ATOM 466 CG LEU A 928 23.423 3.191 -1.278 1.00 0.00 C ATOM 467 CD1 LEU A 928 23.405 2.324 -2.527 1.00 0.00 C ATOM 468 CD2 LEU A 928 23.610 4.655 -1.647 1.00 0.00 C ATOM 0 H LEU A 928 22.775 2.285 2.195 1.00 0.00 H new ATOM 0 HA LEU A 928 22.331 4.789 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 928 21.994 1.934 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 928 21.292 3.325 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 928 24.264 2.885 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 928 24.330 2.470 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 928 23.315 1.276 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 928 22.557 2.604 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 928 24.534 4.772 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 928 22.768 4.988 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 928 23.662 5.255 -0.739 1.00 0.00 H new ATOM 480 N LYS A 929 20.058 4.838 1.614 1.00 0.00 N ATOM 481 CA LYS A 929 18.709 4.926 2.156 1.00 0.00 C ATOM 482 C LYS A 929 17.667 4.898 1.040 1.00 0.00 C ATOM 483 O LYS A 929 17.788 5.617 0.048 1.00 0.00 O ATOM 484 CB LYS A 929 18.570 6.203 2.984 1.00 0.00 C ATOM 485 CG LYS A 929 17.252 6.318 3.729 1.00 0.00 C ATOM 486 CD LYS A 929 17.258 7.500 4.684 1.00 0.00 C ATOM 487 CE LYS A 929 18.334 7.349 5.750 1.00 0.00 C ATOM 488 NZ LYS A 929 18.360 8.510 6.682 1.00 0.00 N ATOM 0 H LYS A 929 20.483 5.740 1.399 1.00 0.00 H new ATOM 0 HA LYS A 929 18.534 4.062 2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 929 19.387 6.247 3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 929 18.679 7.064 2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 929 16.437 6.429 3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 929 17.065 5.399 4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 929 17.425 8.420 4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 929 16.282 7.589 5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 929 18.159 6.434 6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 929 19.308 7.246 5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 19.106 8.368 7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 18.552 9.381 6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 17.439 8.593 7.159 1.00 0.00 H new ATOM 502 N TYR A 930 16.641 4.066 1.210 1.00 0.00 N ATOM 503 CA TYR A 930 15.577 3.952 0.216 1.00 0.00 C ATOM 504 C TYR A 930 14.216 4.259 0.833 1.00 0.00 C ATOM 505 O TYR A 930 13.823 3.644 1.825 1.00 0.00 O ATOM 506 CB TYR A 930 15.542 2.544 -0.391 1.00 0.00 C ATOM 507 CG TYR A 930 16.737 2.193 -1.252 1.00 0.00 C ATOM 508 CD1 TYR A 930 18.027 2.211 -0.737 1.00 0.00 C ATOM 509 CD2 TYR A 930 16.567 1.830 -2.583 1.00 0.00 C ATOM 510 CE1 TYR A 930 19.113 1.879 -1.525 1.00 0.00 C ATOM 511 CE2 TYR A 930 17.648 1.494 -3.375 1.00 0.00 C ATOM 512 CZ TYR A 930 18.918 1.520 -2.842 1.00 0.00 C ATOM 513 OH TYR A 930 19.997 1.187 -3.628 1.00 0.00 O ATOM 0 H TYR A 930 16.525 3.463 2.024 1.00 0.00 H new ATOM 0 HA TYR A 930 15.789 4.679 -0.568 1.00 0.00 H new ATOM 0 HB2 TYR A 930 15.469 1.817 0.418 1.00 0.00 H new ATOM 0 HB3 TYR A 930 14.638 2.445 -0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 930 18.184 2.489 0.295 1.00 0.00 H new ATOM 0 HD2 TYR A 930 15.573 1.810 -3.005 1.00 0.00 H new ATOM 0 HE1 TYR A 930 20.110 1.901 -1.111 1.00 0.00 H new ATOM 0 HE2 TYR A 930 17.498 1.212 -4.407 1.00 0.00 H new ATOM 0 HH TYR A 930 19.687 0.958 -4.529 1.00 0.00 H new ATOM 523 N GLU A 931 13.494 5.200 0.232 1.00 0.00 N ATOM 524 CA GLU A 931 12.169 5.565 0.718 1.00 0.00 C ATOM 525 C GLU A 931 11.089 4.825 -0.065 1.00 0.00 C ATOM 526 O GLU A 931 10.953 5.002 -1.275 1.00 0.00 O ATOM 527 CB GLU A 931 11.952 7.076 0.613 1.00 0.00 C ATOM 528 CG GLU A 931 12.874 7.886 1.511 1.00 0.00 C ATOM 529 CD GLU A 931 12.586 9.374 1.453 1.00 0.00 C ATOM 530 OE1 GLU A 931 11.684 9.776 0.689 1.00 0.00 O ATOM 531 OE2 GLU A 931 13.265 10.137 2.172 1.00 0.00 O ATOM 0 H GLU A 931 13.803 5.721 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 931 12.101 5.276 1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 931 12.102 7.385 -0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 931 10.917 7.305 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 931 12.770 7.539 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 931 13.909 7.708 1.218 1.00 0.00 H new ATOM 538 N CYS A 932 10.328 3.993 0.637 1.00 0.00 N ATOM 539 CA CYS A 932 9.260 3.218 0.017 1.00 0.00 C ATOM 540 C CYS A 932 8.222 4.125 -0.643 1.00 0.00 C ATOM 541 O CYS A 932 8.240 5.343 -0.464 1.00 0.00 O ATOM 542 CB CYS A 932 8.598 2.308 1.055 1.00 0.00 C ATOM 543 SG CYS A 932 9.752 1.132 1.837 1.00 0.00 S ATOM 0 H CYS A 932 10.432 3.838 1.640 1.00 0.00 H new ATOM 0 HA CYS A 932 9.701 2.600 -0.765 1.00 0.00 H new ATOM 0 HB2 CYS A 932 8.142 2.925 1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 932 7.793 1.750 0.576 1.00 0.00 H new ATOM 548 N ARG A 933 7.323 3.518 -1.414 1.00 0.00 N ATOM 549 CA ARG A 933 6.278 4.260 -2.114 1.00 0.00 C ATOM 550 C ARG A 933 5.075 4.508 -1.205 1.00 0.00 C ATOM 551 O ARG A 933 4.811 3.728 -0.292 1.00 0.00 O ATOM 552 CB ARG A 933 5.836 3.498 -3.367 1.00 0.00 C ATOM 553 CG ARG A 933 6.962 3.244 -4.357 1.00 0.00 C ATOM 554 CD ARG A 933 6.473 2.473 -5.573 1.00 0.00 C ATOM 555 NE ARG A 933 5.485 3.228 -6.342 1.00 0.00 N ATOM 556 CZ ARG A 933 5.743 4.385 -6.945 1.00 0.00 C ATOM 557 NH1 ARG A 933 6.957 4.916 -6.887 1.00 0.00 N ATOM 558 NH2 ARG A 933 4.784 5.013 -7.613 1.00 0.00 N ATOM 0 H ARG A 933 7.298 2.510 -1.570 1.00 0.00 H new ATOM 0 HA ARG A 933 6.690 5.225 -2.407 1.00 0.00 H new ATOM 0 HB2 ARG A 933 5.405 2.543 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 933 5.047 4.062 -3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 933 7.389 4.195 -4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 933 7.759 2.685 -3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 933 7.321 2.230 -6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 933 6.036 1.528 -5.251 1.00 0.00 H new ATOM 0 HE ARG A 933 4.543 2.845 -6.421 1.00 0.00 H new ATOM 0 HH11 ARG A 933 7.699 4.437 -6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 933 7.148 5.804 -7.352 1.00 0.00 H new ATOM 0 HH21 ARG A 933 3.849 4.608 -7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 933 4.982 5.900 -8.076 1.00 0.00 H new ATOM 572 N PRO A 934 4.339 5.613 -1.444 1.00 0.00 N ATOM 573 CA PRO A 934 3.158 5.986 -0.647 1.00 0.00 C ATOM 574 C PRO A 934 1.996 5.005 -0.806 1.00 0.00 C ATOM 575 O PRO A 934 0.943 5.363 -1.332 1.00 0.00 O ATOM 576 CB PRO A 934 2.762 7.364 -1.197 1.00 0.00 C ATOM 577 CG PRO A 934 3.939 7.833 -1.983 1.00 0.00 C ATOM 578 CD PRO A 934 4.605 6.595 -2.505 1.00 0.00 C ATOM 0 HA PRO A 934 3.387 5.983 0.419 1.00 0.00 H new ATOM 0 HB2 PRO A 934 1.873 7.295 -1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 934 2.529 8.057 -0.389 1.00 0.00 H new ATOM 0 HG2 PRO A 934 3.628 8.484 -2.801 1.00 0.00 H new ATOM 0 HG3 PRO A 934 4.621 8.410 -1.358 1.00 0.00 H new ATOM 0 HD2 PRO A 934 4.185 6.282 -3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 934 5.674 6.745 -2.660 1.00 0.00 H new ATOM 586 N GLU A 935 2.196 3.775 -0.336 1.00 0.00 N ATOM 587 CA GLU A 935 1.177 2.726 -0.411 1.00 0.00 C ATOM 588 C GLU A 935 1.526 1.593 0.548 1.00 0.00 C ATOM 589 O GLU A 935 0.647 0.904 1.071 1.00 0.00 O ATOM 590 CB GLU A 935 1.061 2.164 -1.834 1.00 0.00 C ATOM 591 CG GLU A 935 0.433 3.118 -2.837 1.00 0.00 C ATOM 592 CD GLU A 935 0.326 2.519 -4.226 1.00 0.00 C ATOM 593 OE1 GLU A 935 1.375 2.160 -4.801 1.00 0.00 O ATOM 594 OE2 GLU A 935 -0.808 2.406 -4.737 1.00 0.00 O ATOM 0 H GLU A 935 3.065 3.477 0.106 1.00 0.00 H new ATOM 0 HA GLU A 935 0.221 3.169 -0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 935 2.056 1.890 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 935 0.470 1.248 -1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 935 -0.561 3.401 -2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 935 1.026 4.031 -2.884 1.00 0.00 H new ATOM 601 N TYR A 936 2.820 1.411 0.773 1.00 0.00 N ATOM 602 CA TYR A 936 3.307 0.371 1.668 1.00 0.00 C ATOM 603 C TYR A 936 3.537 0.942 3.060 1.00 0.00 C ATOM 604 O TYR A 936 3.901 2.109 3.206 1.00 0.00 O ATOM 605 CB TYR A 936 4.602 -0.238 1.127 1.00 0.00 C ATOM 606 CG TYR A 936 4.442 -0.901 -0.224 1.00 0.00 C ATOM 607 CD1 TYR A 936 3.988 -0.186 -1.325 1.00 0.00 C ATOM 608 CD2 TYR A 936 4.735 -2.247 -0.393 1.00 0.00 C ATOM 609 CE1 TYR A 936 3.832 -0.793 -2.555 1.00 0.00 C ATOM 610 CE2 TYR A 936 4.582 -2.861 -1.619 1.00 0.00 C ATOM 611 CZ TYR A 936 4.130 -2.130 -2.698 1.00 0.00 C ATOM 612 OH TYR A 936 3.977 -2.740 -3.923 1.00 0.00 O ATOM 0 H TYR A 936 3.555 1.974 0.345 1.00 0.00 H new ATOM 0 HA TYR A 936 2.554 -0.414 1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 936 5.357 0.544 1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 936 4.974 -0.973 1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 936 3.753 0.863 -1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 936 5.089 -2.823 0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 936 3.478 -0.222 -3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 936 4.815 -3.909 -1.733 1.00 0.00 H new ATOM 0 HH TYR A 936 4.231 -3.684 -3.853 1.00 0.00 H new ATOM 622 N TYR A 937 3.323 0.123 4.083 1.00 0.00 N ATOM 623 CA TYR A 937 3.513 0.578 5.455 1.00 0.00 C ATOM 624 C TYR A 937 4.948 0.351 5.916 1.00 0.00 C ATOM 625 O TYR A 937 5.523 -0.717 5.710 1.00 0.00 O ATOM 626 CB TYR A 937 2.511 -0.090 6.413 1.00 0.00 C ATOM 627 CG TYR A 937 2.410 -1.600 6.306 1.00 0.00 C ATOM 628 CD1 TYR A 937 3.502 -2.423 6.547 1.00 0.00 C ATOM 629 CD2 TYR A 937 1.203 -2.201 5.972 1.00 0.00 C ATOM 630 CE1 TYR A 937 3.393 -3.799 6.456 1.00 0.00 C ATOM 631 CE2 TYR A 937 1.086 -3.571 5.877 1.00 0.00 C ATOM 632 CZ TYR A 937 2.183 -4.368 6.120 1.00 0.00 C ATOM 633 OH TYR A 937 2.071 -5.735 6.028 1.00 0.00 O ATOM 0 H TYR A 937 3.022 -0.847 3.991 1.00 0.00 H new ATOM 0 HA TYR A 937 3.321 1.651 5.474 1.00 0.00 H new ATOM 0 HB2 TYR A 937 2.787 0.166 7.436 1.00 0.00 H new ATOM 0 HB3 TYR A 937 1.524 0.336 6.233 1.00 0.00 H new ATOM 0 HD1 TYR A 937 4.452 -1.982 6.810 1.00 0.00 H new ATOM 0 HD2 TYR A 937 0.338 -1.582 5.783 1.00 0.00 H new ATOM 0 HE1 TYR A 937 4.252 -4.425 6.647 1.00 0.00 H new ATOM 0 HE2 TYR A 937 0.139 -4.018 5.613 1.00 0.00 H new ATOM 0 HH TYR A 937 1.152 -5.972 5.783 1.00 0.00 H new ATOM 643 N GLY A 938 5.527 1.380 6.523 1.00 0.00 N ATOM 644 CA GLY A 938 6.895 1.290 6.992 1.00 0.00 C ATOM 645 C GLY A 938 7.705 2.523 6.648 1.00 0.00 C ATOM 646 O GLY A 938 7.580 3.067 5.551 1.00 0.00 O ATOM 0 H GLY A 938 5.072 2.276 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 938 6.897 1.147 8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 938 7.370 0.412 6.553 1.00 0.00 H new ATOM 650 N ARG A 939 8.538 2.967 7.583 1.00 0.00 N ATOM 651 CA ARG A 939 9.369 4.141 7.364 1.00 0.00 C ATOM 652 C ARG A 939 10.489 3.828 6.373 1.00 0.00 C ATOM 653 O ARG A 939 10.692 2.671 6.004 1.00 0.00 O ATOM 654 CB ARG A 939 9.935 4.649 8.698 1.00 0.00 C ATOM 655 CG ARG A 939 10.780 3.638 9.451 1.00 0.00 C ATOM 656 CD ARG A 939 12.146 3.429 8.810 1.00 0.00 C ATOM 657 NE ARG A 939 12.948 2.445 9.533 1.00 0.00 N ATOM 658 CZ ARG A 939 13.358 2.600 10.790 1.00 0.00 C ATOM 659 NH1 ARG A 939 13.057 3.705 11.461 1.00 0.00 N ATOM 660 NH2 ARG A 939 14.075 1.651 11.376 1.00 0.00 N ATOM 0 H ARG A 939 8.654 2.531 8.498 1.00 0.00 H new ATOM 0 HA ARG A 939 8.753 4.931 6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 939 10.538 5.537 8.507 1.00 0.00 H new ATOM 0 HB3 ARG A 939 9.106 4.957 9.336 1.00 0.00 H new ATOM 0 HG2 ARG A 939 10.912 3.974 10.480 1.00 0.00 H new ATOM 0 HG3 ARG A 939 10.251 2.686 9.492 1.00 0.00 H new ATOM 0 HD2 ARG A 939 12.016 3.102 7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 939 12.680 4.379 8.778 1.00 0.00 H new ATOM 0 HE ARG A 939 13.209 1.588 9.046 1.00 0.00 H new ATOM 0 HH11 ARG A 939 12.509 4.440 11.014 1.00 0.00 H new ATOM 0 HH12 ARG A 939 13.373 3.819 12.424 1.00 0.00 H new ATOM 0 HH21 ARG A 939 14.313 0.802 10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 939 14.389 1.770 12.339 1.00 0.00 H new ATOM 674 N PRO A 940 11.234 4.854 5.924 1.00 0.00 N ATOM 675 CA PRO A 940 12.331 4.669 4.972 1.00 0.00 C ATOM 676 C PRO A 940 13.500 3.904 5.580 1.00 0.00 C ATOM 677 O PRO A 940 14.077 4.326 6.582 1.00 0.00 O ATOM 678 CB PRO A 940 12.749 6.098 4.620 1.00 0.00 C ATOM 679 CG PRO A 940 12.307 6.921 5.778 1.00 0.00 C ATOM 680 CD PRO A 940 11.067 6.261 6.315 1.00 0.00 C ATOM 0 HA PRO A 940 12.024 4.080 4.108 1.00 0.00 H new ATOM 0 HB2 PRO A 940 13.827 6.170 4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 940 12.278 6.431 3.695 1.00 0.00 H new ATOM 0 HG2 PRO A 940 13.084 6.968 6.541 1.00 0.00 H new ATOM 0 HG3 PRO A 940 12.100 7.946 5.470 1.00 0.00 H new ATOM 0 HD2 PRO A 940 10.989 6.371 7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 940 10.163 6.693 5.885 1.00 0.00 H new ATOM 688 N PHE A 941 13.845 2.778 4.966 1.00 0.00 N ATOM 689 CA PHE A 941 14.949 1.955 5.447 1.00 0.00 C ATOM 690 C PHE A 941 16.259 2.376 4.795 1.00 0.00 C ATOM 691 O PHE A 941 16.368 3.475 4.253 1.00 0.00 O ATOM 692 CB PHE A 941 14.662 0.475 5.172 1.00 0.00 C ATOM 693 CG PHE A 941 14.524 0.135 3.714 1.00 0.00 C ATOM 694 CD1 PHE A 941 15.646 -0.062 2.923 1.00 0.00 C ATOM 695 CD2 PHE A 941 13.272 0.015 3.134 1.00 0.00 C ATOM 696 CE1 PHE A 941 15.520 -0.374 1.583 1.00 0.00 C ATOM 697 CE2 PHE A 941 13.141 -0.297 1.794 1.00 0.00 C ATOM 698 CZ PHE A 941 14.267 -0.492 1.018 1.00 0.00 C ATOM 0 H PHE A 941 13.377 2.414 4.136 1.00 0.00 H new ATOM 0 HA PHE A 941 15.045 2.099 6.523 1.00 0.00 H new ATOM 0 HB2 PHE A 941 15.466 -0.125 5.599 1.00 0.00 H new ATOM 0 HB3 PHE A 941 13.744 0.192 5.688 1.00 0.00 H new ATOM 0 HD1 PHE A 941 16.630 0.030 3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 941 12.388 0.167 3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 941 16.402 -0.525 0.978 1.00 0.00 H new ATOM 0 HE2 PHE A 941 12.159 -0.388 1.354 1.00 0.00 H new ATOM 0 HZ PHE A 941 14.167 -0.736 -0.029 1.00 0.00 H new ATOM 708 N SER A 942 17.248 1.493 4.848 1.00 0.00 N ATOM 709 CA SER A 942 18.552 1.770 4.259 1.00 0.00 C ATOM 710 C SER A 942 19.442 0.534 4.302 1.00 0.00 C ATOM 711 O SER A 942 19.529 -0.145 5.324 1.00 0.00 O ATOM 712 CB SER A 942 19.234 2.925 4.995 1.00 0.00 C ATOM 713 OG SER A 942 19.439 2.610 6.361 1.00 0.00 O ATOM 0 H SER A 942 17.172 0.578 5.293 1.00 0.00 H new ATOM 0 HA SER A 942 18.398 2.051 3.217 1.00 0.00 H new ATOM 0 HB2 SER A 942 20.191 3.147 4.522 1.00 0.00 H new ATOM 0 HB3 SER A 942 18.622 3.824 4.914 1.00 0.00 H new ATOM 0 HG SER A 942 19.878 3.364 6.808 1.00 0.00 H new ATOM 719 N ILE A 943 20.106 0.255 3.186 1.00 0.00 N ATOM 720 CA ILE A 943 20.997 -0.891 3.094 1.00 0.00 C ATOM 721 C ILE A 943 22.435 -0.479 3.355 1.00 0.00 C ATOM 722 O ILE A 943 22.702 0.659 3.744 1.00 0.00 O ATOM 723 CB ILE A 943 20.909 -1.567 1.715 1.00 0.00 C ATOM 724 CG1 ILE A 943 21.043 -0.526 0.603 1.00 0.00 C ATOM 725 CG2 ILE A 943 19.605 -2.334 1.583 1.00 0.00 C ATOM 726 CD1 ILE A 943 20.930 -1.112 -0.786 1.00 0.00 C ATOM 0 H ILE A 943 20.043 0.809 2.332 1.00 0.00 H new ATOM 0 HA ILE A 943 20.678 -1.604 3.855 1.00 0.00 H new ATOM 0 HB ILE A 943 21.732 -2.276 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 943 20.272 0.234 0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 943 22.005 -0.024 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 943 19.558 -2.806 0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 943 19.553 -3.100 2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 943 18.766 -1.647 1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 943 21.034 -0.318 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 943 21.717 -1.851 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 943 19.957 -1.590 -0.901 1.00 0.00 H new ATOM 738 N THR A 944 23.360 -1.407 3.150 1.00 0.00 N ATOM 739 CA THR A 944 24.766 -1.128 3.383 1.00 0.00 C ATOM 740 C THR A 944 25.671 -2.203 2.796 1.00 0.00 C ATOM 741 O THR A 944 25.569 -3.376 3.160 1.00 0.00 O ATOM 742 CB THR A 944 25.042 -1.011 4.900 1.00 0.00 C ATOM 743 OG1 THR A 944 24.864 0.343 5.330 1.00 0.00 O ATOM 744 CG2 THR A 944 26.443 -1.495 5.259 1.00 0.00 C ATOM 0 H THR A 944 23.162 -2.353 2.825 1.00 0.00 H new ATOM 0 HA THR A 944 24.990 -0.185 2.884 1.00 0.00 H new ATOM 0 HB THR A 944 24.328 -1.652 5.417 1.00 0.00 H new ATOM 0 HG1 THR A 944 24.088 0.732 4.875 1.00 0.00 H new ATOM 0 HG21 THR A 944 26.598 -1.397 6.333 1.00 0.00 H new ATOM 0 HG22 THR A 944 26.552 -2.541 4.971 1.00 0.00 H new ATOM 0 HG23 THR A 944 27.182 -0.894 4.729 1.00 0.00 H new ATOM 752 N CYS A 945 26.596 -1.793 1.930 1.00 0.00 N ATOM 753 CA CYS A 945 27.550 -2.734 1.367 1.00 0.00 C ATOM 754 C CYS A 945 28.379 -3.241 2.532 1.00 0.00 C ATOM 755 O CYS A 945 29.084 -2.469 3.179 1.00 0.00 O ATOM 756 CB CYS A 945 28.431 -2.055 0.320 1.00 0.00 C ATOM 757 SG CYS A 945 29.476 -3.193 -0.643 1.00 0.00 S ATOM 0 H CYS A 945 26.701 -0.830 1.610 1.00 0.00 H new ATOM 0 HA CYS A 945 27.044 -3.555 0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 945 27.793 -1.499 -0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 945 29.072 -1.328 0.819 1.00 0.00 H new ATOM 762 N LEU A 946 28.224 -4.507 2.863 1.00 0.00 N ATOM 763 CA LEU A 946 28.901 -5.049 4.035 1.00 0.00 C ATOM 764 C LEU A 946 30.355 -5.436 3.827 1.00 0.00 C ATOM 765 O LEU A 946 31.219 -5.001 4.591 1.00 0.00 O ATOM 766 CB LEU A 946 28.085 -6.199 4.601 1.00 0.00 C ATOM 767 CG LEU A 946 26.765 -5.727 5.204 1.00 0.00 C ATOM 768 CD1 LEU A 946 25.926 -6.883 5.704 1.00 0.00 C ATOM 769 CD2 LEU A 946 27.049 -4.742 6.324 1.00 0.00 C ATOM 0 H LEU A 946 27.647 -5.174 2.351 1.00 0.00 H new ATOM 0 HA LEU A 946 28.957 -4.235 4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 946 27.884 -6.923 3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 946 28.668 -6.714 5.365 1.00 0.00 H new ATOM 0 HG LEU A 946 26.187 -5.234 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 946 24.996 -6.502 6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 946 25.701 -7.554 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 946 26.476 -7.426 6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 946 26.108 -4.403 6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 946 27.648 -5.229 7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 946 27.595 -3.886 5.926 1.00 0.00 H new ATOM 781 N ASP A 947 30.632 -6.250 2.827 1.00 0.00 N ATOM 782 CA ASP A 947 32.003 -6.690 2.574 1.00 0.00 C ATOM 783 C ASP A 947 32.047 -7.757 1.494 1.00 0.00 C ATOM 784 O ASP A 947 32.860 -7.686 0.572 1.00 0.00 O ATOM 785 CB ASP A 947 32.620 -7.235 3.864 1.00 0.00 C ATOM 786 CG ASP A 947 33.975 -7.876 3.638 1.00 0.00 C ATOM 787 OD1 ASP A 947 34.896 -7.171 3.175 1.00 0.00 O ATOM 788 OD2 ASP A 947 34.115 -9.084 3.922 1.00 0.00 O ATOM 0 H ASP A 947 29.938 -6.621 2.178 1.00 0.00 H new ATOM 0 HA ASP A 947 32.577 -5.830 2.228 1.00 0.00 H new ATOM 0 HB2 ASP A 947 32.722 -6.423 4.584 1.00 0.00 H new ATOM 0 HB3 ASP A 947 31.944 -7.969 4.304 1.00 0.00 H new ATOM 793 N ASN A 948 31.161 -8.736 1.600 1.00 0.00 N ATOM 794 CA ASN A 948 31.099 -9.800 0.613 1.00 0.00 C ATOM 795 C ASN A 948 30.246 -9.343 -0.560 1.00 0.00 C ATOM 796 O ASN A 948 29.486 -10.121 -1.136 1.00 0.00 O ATOM 797 CB ASN A 948 30.517 -11.074 1.231 1.00 0.00 C ATOM 798 CG ASN A 948 31.350 -11.589 2.387 1.00 0.00 C ATOM 799 OD1 ASN A 948 32.530 -11.904 2.227 1.00 0.00 O ATOM 800 ND2 ASN A 948 30.740 -11.680 3.564 1.00 0.00 N ATOM 0 H ASN A 948 30.480 -8.815 2.355 1.00 0.00 H new ATOM 0 HA ASN A 948 32.107 -10.025 0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 948 29.503 -10.876 1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 948 30.447 -11.846 0.465 1.00 0.00 H new ATOM 0 HD21 ASN A 948 31.251 -12.021 4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 948 29.761 -11.409 3.653 1.00 0.00 H new ATOM 807 N LEU A 949 30.378 -8.061 -0.895 1.00 0.00 N ATOM 808 CA LEU A 949 29.622 -7.470 -1.985 1.00 0.00 C ATOM 809 C LEU A 949 28.137 -7.729 -1.788 1.00 0.00 C ATOM 810 O LEU A 949 27.435 -8.181 -2.693 1.00 0.00 O ATOM 811 CB LEU A 949 30.124 -8.006 -3.328 1.00 0.00 C ATOM 812 CG LEU A 949 31.431 -7.365 -3.814 1.00 0.00 C ATOM 813 CD1 LEU A 949 32.477 -7.363 -2.711 1.00 0.00 C ATOM 814 CD2 LEU A 949 31.967 -8.082 -5.042 1.00 0.00 C ATOM 0 H LEU A 949 31.007 -7.413 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 949 29.771 -6.390 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 949 30.270 -9.083 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 949 29.352 -7.846 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 949 31.211 -6.333 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 949 33.394 -6.904 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 949 32.105 -6.796 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 949 32.683 -8.388 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 949 32.893 -7.607 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 949 32.160 -9.127 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 949 31.232 -8.027 -5.845 1.00 0.00 H new ATOM 826 N VAL A 950 27.684 -7.439 -0.574 1.00 0.00 N ATOM 827 CA VAL A 950 26.294 -7.629 -0.189 1.00 0.00 C ATOM 828 C VAL A 950 25.657 -6.317 0.253 1.00 0.00 C ATOM 829 O VAL A 950 26.308 -5.269 0.267 1.00 0.00 O ATOM 830 CB VAL A 950 26.187 -8.635 0.964 1.00 0.00 C ATOM 831 CG1 VAL A 950 26.434 -10.051 0.468 1.00 0.00 C ATOM 832 CG2 VAL A 950 27.166 -8.260 2.065 1.00 0.00 C ATOM 0 H VAL A 950 28.272 -7.065 0.171 1.00 0.00 H new ATOM 0 HA VAL A 950 25.767 -8.007 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 950 25.177 -8.602 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 950 26.353 -10.748 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 950 25.693 -10.305 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 950 27.433 -10.116 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 950 27.087 -8.977 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 950 28.181 -8.272 1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 950 26.933 -7.261 2.435 1.00 0.00 H new ATOM 842 N TRP A 951 24.383 -6.392 0.624 1.00 0.00 N ATOM 843 CA TRP A 951 23.639 -5.218 1.066 1.00 0.00 C ATOM 844 C TRP A 951 22.644 -5.576 2.161 1.00 0.00 C ATOM 845 O TRP A 951 21.472 -5.207 2.087 1.00 0.00 O ATOM 846 CB TRP A 951 22.880 -4.600 -0.109 1.00 0.00 C ATOM 847 CG TRP A 951 23.763 -3.980 -1.141 1.00 0.00 C ATOM 848 CD1 TRP A 951 24.231 -4.553 -2.290 1.00 0.00 C ATOM 849 CD2 TRP A 951 24.290 -2.656 -1.106 1.00 0.00 C ATOM 850 NE1 TRP A 951 25.014 -3.655 -2.975 1.00 0.00 N ATOM 851 CE2 TRP A 951 25.066 -2.483 -2.265 1.00 0.00 C ATOM 852 CE3 TRP A 951 24.176 -1.601 -0.203 1.00 0.00 C ATOM 853 CZ2 TRP A 951 25.724 -1.290 -2.543 1.00 0.00 C ATOM 854 CZ3 TRP A 951 24.827 -0.419 -0.476 1.00 0.00 C ATOM 855 CH2 TRP A 951 25.594 -0.267 -1.641 1.00 0.00 C ATOM 0 H TRP A 951 23.843 -7.257 0.627 1.00 0.00 H new ATOM 0 HA TRP A 951 24.359 -4.502 1.462 1.00 0.00 H new ATOM 0 HB2 TRP A 951 22.271 -5.371 -0.582 1.00 0.00 H new ATOM 0 HB3 TRP A 951 22.195 -3.842 0.272 1.00 0.00 H new ATOM 0 HD1 TRP A 951 24.017 -5.562 -2.612 1.00 0.00 H new ATOM 0 HE1 TRP A 951 25.480 -3.831 -3.865 1.00 0.00 H new ATOM 0 HE3 TRP A 951 23.587 -1.709 0.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 951 26.317 -1.174 -3.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 951 24.746 0.405 0.218 1.00 0.00 H new ATOM 0 HH2 TRP A 951 26.091 0.673 -1.830 1.00 0.00 H new ATOM 866 N SER A 952 23.117 -6.291 3.176 1.00 0.00 N ATOM 867 CA SER A 952 22.260 -6.692 4.282 1.00 0.00 C ATOM 868 C SER A 952 20.983 -7.322 3.742 1.00 0.00 C ATOM 869 O SER A 952 21.015 -8.048 2.748 1.00 0.00 O ATOM 870 CB SER A 952 21.945 -5.479 5.165 1.00 0.00 C ATOM 871 OG SER A 952 21.232 -5.860 6.329 1.00 0.00 O ATOM 0 H SER A 952 24.085 -6.603 3.254 1.00 0.00 H new ATOM 0 HA SER A 952 22.776 -7.433 4.893 1.00 0.00 H new ATOM 0 HB2 SER A 952 22.873 -4.984 5.450 1.00 0.00 H new ATOM 0 HB3 SER A 952 21.359 -4.756 4.598 1.00 0.00 H new ATOM 0 HG SER A 952 21.047 -5.067 6.873 1.00 0.00 H new ATOM 877 N SER A 953 19.864 -7.039 4.386 1.00 0.00 N ATOM 878 CA SER A 953 18.587 -7.583 3.946 1.00 0.00 C ATOM 879 C SER A 953 17.420 -6.710 4.398 1.00 0.00 C ATOM 880 O SER A 953 17.095 -6.663 5.584 1.00 0.00 O ATOM 881 CB SER A 953 18.404 -8.997 4.489 1.00 0.00 C ATOM 882 OG SER A 953 17.222 -9.592 3.983 1.00 0.00 O ATOM 0 H SER A 953 19.811 -6.440 5.210 1.00 0.00 H new ATOM 0 HA SER A 953 18.596 -7.605 2.856 1.00 0.00 H new ATOM 0 HB2 SER A 953 19.266 -9.607 4.219 1.00 0.00 H new ATOM 0 HB3 SER A 953 18.362 -8.969 5.578 1.00 0.00 H new ATOM 0 HG SER A 953 17.130 -10.498 4.346 1.00 0.00 H new ATOM 888 N PRO A 954 16.764 -6.014 3.450 1.00 0.00 N ATOM 889 CA PRO A 954 15.615 -5.154 3.740 1.00 0.00 C ATOM 890 C PRO A 954 14.358 -5.978 4.010 1.00 0.00 C ATOM 891 O PRO A 954 13.327 -5.788 3.366 1.00 0.00 O ATOM 892 CB PRO A 954 15.445 -4.319 2.458 1.00 0.00 C ATOM 893 CG PRO A 954 16.621 -4.648 1.595 1.00 0.00 C ATOM 894 CD PRO A 954 17.080 -6.011 2.017 1.00 0.00 C ATOM 0 HA PRO A 954 15.770 -4.545 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 954 14.510 -4.564 1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 954 15.414 -3.254 2.687 1.00 0.00 H new ATOM 0 HG2 PRO A 954 16.345 -4.639 0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 954 17.415 -3.913 1.723 1.00 0.00 H new ATOM 0 HD2 PRO A 954 16.554 -6.802 1.482 1.00 0.00 H new ATOM 0 HD3 PRO A 954 18.145 -6.157 1.834 1.00 0.00 H new ATOM 902 N LYS A 955 14.464 -6.908 4.953 1.00 0.00 N ATOM 903 CA LYS A 955 13.353 -7.787 5.301 1.00 0.00 C ATOM 904 C LYS A 955 12.338 -7.084 6.200 1.00 0.00 C ATOM 905 O LYS A 955 12.701 -6.440 7.184 1.00 0.00 O ATOM 906 CB LYS A 955 13.889 -9.041 5.996 1.00 0.00 C ATOM 907 CG LYS A 955 12.815 -10.064 6.327 1.00 0.00 C ATOM 908 CD LYS A 955 13.392 -11.292 7.021 1.00 0.00 C ATOM 909 CE LYS A 955 13.895 -10.978 8.424 1.00 0.00 C ATOM 910 NZ LYS A 955 15.073 -10.066 8.413 1.00 0.00 N ATOM 0 H LYS A 955 15.313 -7.073 5.493 1.00 0.00 H new ATOM 0 HA LYS A 955 12.841 -8.066 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 955 14.638 -9.508 5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 955 14.394 -8.747 6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 955 12.062 -9.605 6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 955 12.310 -10.369 5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 955 12.629 -12.068 7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 955 14.212 -11.693 6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 955 13.091 -10.522 9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 955 14.162 -11.907 8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 955 15.692 -10.288 9.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 955 15.601 -10.192 7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 955 14.750 -9.080 8.486 1.00 0.00 H new ATOM 924 N ASP A 956 11.061 -7.228 5.850 1.00 0.00 N ATOM 925 CA ASP A 956 9.968 -6.627 6.613 1.00 0.00 C ATOM 926 C ASP A 956 10.134 -5.111 6.720 1.00 0.00 C ATOM 927 O ASP A 956 9.881 -4.519 7.769 1.00 0.00 O ATOM 928 CB ASP A 956 9.893 -7.250 8.011 1.00 0.00 C ATOM 929 CG ASP A 956 8.653 -6.828 8.777 1.00 0.00 C ATOM 930 OD1 ASP A 956 7.826 -6.083 8.210 1.00 0.00 O ATOM 931 OD2 ASP A 956 8.507 -7.247 9.945 1.00 0.00 O ATOM 0 H ASP A 956 10.756 -7.761 5.035 1.00 0.00 H new ATOM 0 HA ASP A 956 9.037 -6.828 6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 956 9.907 -8.336 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 956 10.779 -6.966 8.578 1.00 0.00 H new ATOM 936 N VAL A 957 10.555 -4.490 5.625 1.00 0.00 N ATOM 937 CA VAL A 957 10.745 -3.045 5.595 1.00 0.00 C ATOM 938 C VAL A 957 9.478 -2.324 5.152 1.00 0.00 C ATOM 939 O VAL A 957 9.100 -1.302 5.723 1.00 0.00 O ATOM 940 CB VAL A 957 11.910 -2.646 4.672 1.00 0.00 C ATOM 941 CG1 VAL A 957 13.221 -3.188 5.214 1.00 0.00 C ATOM 942 CG2 VAL A 957 11.670 -3.133 3.252 1.00 0.00 C ATOM 0 H VAL A 957 10.771 -4.963 4.748 1.00 0.00 H new ATOM 0 HA VAL A 957 10.985 -2.742 6.614 1.00 0.00 H new ATOM 0 HB VAL A 957 11.970 -1.558 4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 957 14.036 -2.898 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 957 13.400 -2.780 6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 957 13.169 -4.275 5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 957 12.508 -2.838 2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 957 11.579 -4.219 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 957 10.751 -2.691 2.866 1.00 0.00 H new ATOM 952 N CYS A 958 8.832 -2.868 4.131 1.00 0.00 N ATOM 953 CA CYS A 958 7.605 -2.288 3.594 1.00 0.00 C ATOM 954 C CYS A 958 6.755 -3.345 2.899 1.00 0.00 C ATOM 955 O CYS A 958 7.274 -4.232 2.220 1.00 0.00 O ATOM 956 CB CYS A 958 7.923 -1.162 2.605 1.00 0.00 C ATOM 957 SG CYS A 958 8.680 0.315 3.355 1.00 0.00 S ATOM 0 H CYS A 958 9.138 -3.716 3.654 1.00 0.00 H new ATOM 0 HA CYS A 958 7.043 -1.880 4.434 1.00 0.00 H new ATOM 0 HB2 CYS A 958 8.594 -1.549 1.838 1.00 0.00 H new ATOM 0 HB3 CYS A 958 7.002 -0.867 2.103 1.00 0.00 H new ATOM 962 N LYS A 959 5.444 -3.233 3.074 1.00 0.00 N ATOM 963 CA LYS A 959 4.495 -4.163 2.470 1.00 0.00 C ATOM 964 C LYS A 959 3.211 -3.425 2.109 1.00 0.00 C ATOM 965 O LYS A 959 2.809 -2.494 2.808 1.00 0.00 O ATOM 966 CB LYS A 959 4.190 -5.317 3.429 1.00 0.00 C ATOM 967 CG LYS A 959 5.401 -6.176 3.763 1.00 0.00 C ATOM 968 CD LYS A 959 5.903 -6.932 2.543 1.00 0.00 C ATOM 969 CE LYS A 959 7.117 -7.785 2.878 1.00 0.00 C ATOM 970 NZ LYS A 959 7.623 -8.523 1.688 1.00 0.00 N ATOM 0 H LYS A 959 5.010 -2.500 3.635 1.00 0.00 H new ATOM 0 HA LYS A 959 4.936 -4.578 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 959 3.779 -4.910 4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 959 3.419 -5.949 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 959 6.199 -5.545 4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 959 5.140 -6.885 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 959 5.107 -7.567 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 959 6.160 -6.224 1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 959 7.909 -7.150 3.275 1.00 0.00 H new ATOM 0 HE3 LYS A 959 6.856 -8.496 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 8.450 -9.092 1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 6.876 -9.149 1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 7.896 -7.844 0.949 1.00 0.00 H new ATOM 984 N ARG A 960 2.578 -3.822 1.007 1.00 0.00 N ATOM 985 CA ARG A 960 1.354 -3.167 0.563 1.00 0.00 C ATOM 986 C ARG A 960 0.326 -3.130 1.684 1.00 0.00 C ATOM 987 O ARG A 960 -0.317 -4.133 1.991 1.00 0.00 O ATOM 988 CB ARG A 960 0.772 -3.879 -0.660 1.00 0.00 C ATOM 989 CG ARG A 960 -0.541 -3.281 -1.140 1.00 0.00 C ATOM 990 CD ARG A 960 -0.403 -1.798 -1.445 1.00 0.00 C ATOM 991 NE ARG A 960 0.547 -1.541 -2.525 1.00 0.00 N ATOM 992 CZ ARG A 960 0.372 -1.949 -3.778 1.00 0.00 C ATOM 993 NH1 ARG A 960 -0.723 -2.618 -4.118 1.00 0.00 N ATOM 994 NH2 ARG A 960 1.289 -1.683 -4.697 1.00 0.00 N ATOM 0 H ARG A 960 2.891 -4.588 0.411 1.00 0.00 H new ATOM 0 HA ARG A 960 1.603 -2.143 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 960 1.498 -3.842 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 960 0.617 -4.931 -0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 960 -0.876 -3.807 -2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 960 -1.307 -3.427 -0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 960 -1.378 -1.393 -1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 960 -0.079 -1.273 -0.546 1.00 0.00 H new ATOM 0 HE ARG A 960 1.394 -1.018 -2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 960 -1.435 -2.821 -3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 960 -0.852 -2.929 -5.081 1.00 0.00 H new ATOM 0 HH21 ARG A 960 2.130 -1.165 -4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 960 1.154 -1.997 -5.658 1.00 0.00 H new ATOM 1008 N LYS A 961 0.187 -1.958 2.298 1.00 0.00 N ATOM 1009 CA LYS A 961 -0.742 -1.763 3.390 1.00 0.00 C ATOM 1010 C LYS A 961 -2.177 -2.067 2.967 1.00 0.00 C ATOM 1011 O LYS A 961 -2.432 -2.447 1.824 1.00 0.00 O ATOM 1012 CB LYS A 961 -0.606 -0.331 3.901 1.00 0.00 C ATOM 1013 CG LYS A 961 -1.316 -0.081 5.213 1.00 0.00 C ATOM 1014 CD LYS A 961 -0.840 1.198 5.865 1.00 0.00 C ATOM 1015 CE LYS A 961 -1.780 1.608 6.973 1.00 0.00 C ATOM 1016 NZ LYS A 961 -1.790 0.623 8.089 1.00 0.00 N ATOM 0 H LYS A 961 0.717 -1.123 2.048 1.00 0.00 H new ATOM 0 HA LYS A 961 -0.501 -2.459 4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 961 0.452 -0.097 4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 961 -1.001 0.352 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 961 -2.391 -0.025 5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 961 -1.144 -0.920 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 961 0.164 1.057 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 961 -0.778 1.992 5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 961 -1.486 2.586 7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 961 -2.788 1.713 6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 -2.354 0.998 8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 -2.207 -0.271 7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 -0.816 0.453 8.411 1.00 0.00 H new ATOM 1030 N SER A 962 -3.108 -1.898 3.898 1.00 0.00 N ATOM 1031 CA SER A 962 -4.514 -2.152 3.632 1.00 0.00 C ATOM 1032 C SER A 962 -5.392 -1.245 4.480 1.00 0.00 C ATOM 1033 O SER A 962 -5.081 -0.966 5.638 1.00 0.00 O ATOM 1034 CB SER A 962 -4.852 -3.614 3.921 1.00 0.00 C ATOM 1035 OG SER A 962 -4.611 -3.934 5.280 1.00 0.00 O ATOM 0 H SER A 962 -2.911 -1.584 4.848 1.00 0.00 H new ATOM 0 HA SER A 962 -4.705 -1.942 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 962 -5.898 -3.803 3.680 1.00 0.00 H new ATOM 0 HB3 SER A 962 -4.255 -4.262 3.280 1.00 0.00 H new ATOM 0 HG SER A 962 -4.837 -4.874 5.440 1.00 0.00 H new ATOM 1041 N CYS A 963 -6.490 -0.789 3.896 1.00 0.00 N ATOM 1042 CA CYS A 963 -7.419 0.084 4.595 1.00 0.00 C ATOM 1043 C CYS A 963 -8.315 -0.734 5.519 1.00 0.00 C ATOM 1044 O CYS A 963 -8.384 -1.957 5.400 1.00 0.00 O ATOM 1045 CB CYS A 963 -8.265 0.868 3.592 1.00 0.00 C ATOM 1046 SG CYS A 963 -7.302 1.949 2.485 1.00 0.00 S ATOM 0 H CYS A 963 -6.759 -1.010 2.937 1.00 0.00 H new ATOM 0 HA CYS A 963 -6.850 0.792 5.197 1.00 0.00 H new ATOM 0 HB2 CYS A 963 -8.836 0.164 2.987 1.00 0.00 H new ATOM 0 HB3 CYS A 963 -8.986 1.476 4.139 1.00 0.00 H new ATOM 1051 N LYS A 964 -8.989 -0.060 6.443 1.00 0.00 N ATOM 1052 CA LYS A 964 -9.864 -0.746 7.384 1.00 0.00 C ATOM 1053 C LYS A 964 -11.034 -1.392 6.653 1.00 0.00 C ATOM 1054 O LYS A 964 -11.671 -0.767 5.802 1.00 0.00 O ATOM 1055 CB LYS A 964 -10.381 0.227 8.446 1.00 0.00 C ATOM 1056 CG LYS A 964 -11.289 -0.424 9.477 1.00 0.00 C ATOM 1057 CD LYS A 964 -11.725 0.566 10.544 1.00 0.00 C ATOM 1058 CE LYS A 964 -12.620 -0.091 11.582 1.00 0.00 C ATOM 1059 NZ LYS A 964 -13.058 0.873 12.629 1.00 0.00 N ATOM 0 H LYS A 964 -8.947 0.952 6.560 1.00 0.00 H new ATOM 0 HA LYS A 964 -9.286 -1.527 7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 964 -9.531 0.680 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 964 -10.924 1.034 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 964 -12.168 -0.835 8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 964 -10.768 -1.259 9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 964 -10.846 0.986 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 964 -12.256 1.395 10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 964 -13.495 -0.515 11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 964 -12.086 -0.918 12.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 -13.666 0.385 13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 -12.224 1.259 13.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 -13.590 1.649 12.186 1.00 0.00 H new ATOM 1073 N THR A 965 -11.301 -2.652 6.989 1.00 0.00 N ATOM 1074 CA THR A 965 -12.384 -3.400 6.365 1.00 0.00 C ATOM 1075 C THR A 965 -13.709 -2.656 6.499 1.00 0.00 C ATOM 1076 O THR A 965 -14.066 -2.197 7.585 1.00 0.00 O ATOM 1077 CB THR A 965 -12.529 -4.801 6.990 1.00 0.00 C ATOM 1078 OG1 THR A 965 -11.284 -5.503 6.909 1.00 0.00 O ATOM 1079 CG2 THR A 965 -13.613 -5.602 6.282 1.00 0.00 C ATOM 0 H THR A 965 -10.779 -3.175 7.692 1.00 0.00 H new ATOM 0 HA THR A 965 -12.133 -3.505 5.310 1.00 0.00 H new ATOM 0 HB THR A 965 -12.813 -4.680 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 965 -11.383 -6.392 7.310 1.00 0.00 H new ATOM 0 HG21 THR A 965 -13.696 -6.587 6.741 1.00 0.00 H new ATOM 0 HG22 THR A 965 -14.566 -5.080 6.368 1.00 0.00 H new ATOM 0 HG23 THR A 965 -13.354 -5.713 5.229 1.00 0.00 H new ATOM 1087 N PRO A 966 -14.457 -2.529 5.392 1.00 0.00 N ATOM 1088 CA PRO A 966 -15.746 -1.841 5.384 1.00 0.00 C ATOM 1089 C PRO A 966 -16.841 -2.669 6.047 1.00 0.00 C ATOM 1090 O PRO A 966 -17.079 -3.813 5.658 1.00 0.00 O ATOM 1091 CB PRO A 966 -16.058 -1.652 3.892 1.00 0.00 C ATOM 1092 CG PRO A 966 -14.843 -2.110 3.151 1.00 0.00 C ATOM 1093 CD PRO A 966 -14.112 -3.046 4.064 1.00 0.00 C ATOM 0 HA PRO A 966 -15.705 -0.905 5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -16.933 -2.232 3.601 1.00 0.00 H new ATOM 0 HB3 PRO A 966 -16.279 -0.608 3.670 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -15.121 -2.611 2.224 1.00 0.00 H new ATOM 0 HG3 PRO A 966 -14.213 -1.263 2.879 1.00 0.00 H new ATOM 0 HD2 PRO A 966 -14.438 -4.078 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 966 -13.036 -3.027 3.888 1.00 0.00 H new ATOM 1101 N PRO A 967 -17.531 -2.105 7.052 1.00 0.00 N ATOM 1102 CA PRO A 967 -18.609 -2.810 7.748 1.00 0.00 C ATOM 1103 C PRO A 967 -19.704 -3.241 6.780 1.00 0.00 C ATOM 1104 O PRO A 967 -20.280 -2.411 6.076 1.00 0.00 O ATOM 1105 CB PRO A 967 -19.144 -1.771 8.740 1.00 0.00 C ATOM 1106 CG PRO A 967 -18.032 -0.794 8.908 1.00 0.00 C ATOM 1107 CD PRO A 967 -17.327 -0.746 7.583 1.00 0.00 C ATOM 0 HA PRO A 967 -18.264 -3.724 8.231 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -20.042 -1.286 8.358 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -19.411 -2.233 9.690 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -18.413 0.189 9.184 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -17.353 -1.107 9.701 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -17.753 0.012 6.926 1.00 0.00 H new ATOM 0 HD3 PRO A 967 -16.269 -0.511 7.697 1.00 0.00 H new ATOM 1115 N ASP A 968 -19.980 -4.539 6.740 1.00 0.00 N ATOM 1116 CA ASP A 968 -20.999 -5.067 5.844 1.00 0.00 C ATOM 1117 C ASP A 968 -22.368 -4.472 6.163 1.00 0.00 C ATOM 1118 O ASP A 968 -22.914 -4.694 7.244 1.00 0.00 O ATOM 1119 CB ASP A 968 -21.055 -6.593 5.944 1.00 0.00 C ATOM 1120 CG ASP A 968 -19.749 -7.250 5.540 1.00 0.00 C ATOM 1121 OD1 ASP A 968 -18.801 -6.520 5.181 1.00 0.00 O ATOM 1122 OD2 ASP A 968 -19.675 -8.497 5.582 1.00 0.00 O ATOM 0 H ASP A 968 -19.515 -5.241 7.315 1.00 0.00 H new ATOM 0 HA ASP A 968 -20.731 -4.787 4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -21.300 -6.878 6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -21.858 -6.966 5.308 1.00 0.00 H new ATOM 1127 N PRO A 969 -22.947 -3.711 5.217 1.00 0.00 N ATOM 1128 CA PRO A 969 -24.260 -3.091 5.398 1.00 0.00 C ATOM 1129 C PRO A 969 -25.383 -4.105 5.313 1.00 0.00 C ATOM 1130 O PRO A 969 -25.413 -4.944 4.414 1.00 0.00 O ATOM 1131 CB PRO A 969 -24.344 -2.094 4.244 1.00 0.00 C ATOM 1132 CG PRO A 969 -23.480 -2.679 3.180 1.00 0.00 C ATOM 1133 CD PRO A 969 -22.367 -3.401 3.894 1.00 0.00 C ATOM 0 HA PRO A 969 -24.366 -2.629 6.380 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -25.371 -1.972 3.899 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -23.990 -1.108 4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -24.048 -3.364 2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -23.084 -1.900 2.528 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -22.071 -4.306 3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -21.477 -2.778 3.982 1.00 0.00 H new ATOM 1141 N VAL A 970 -26.307 -4.017 6.258 1.00 0.00 N ATOM 1142 CA VAL A 970 -27.437 -4.911 6.302 1.00 0.00 C ATOM 1143 C VAL A 970 -28.186 -4.916 4.979 1.00 0.00 C ATOM 1144 O VAL A 970 -28.355 -5.957 4.345 1.00 0.00 O ATOM 1145 CB VAL A 970 -28.379 -4.516 7.444 1.00 0.00 C ATOM 1146 CG1 VAL A 970 -28.497 -3.009 7.525 1.00 0.00 C ATOM 1147 CG2 VAL A 970 -29.731 -5.161 7.269 1.00 0.00 C ATOM 0 H VAL A 970 -26.289 -3.326 7.008 1.00 0.00 H new ATOM 0 HA VAL A 970 -27.064 -5.919 6.481 1.00 0.00 H new ATOM 0 HB VAL A 970 -27.961 -4.877 8.384 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -29.169 -2.740 8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -27.513 -2.576 7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -28.894 -2.624 6.586 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -30.384 -4.867 8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -30.169 -4.838 6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -29.619 -6.245 7.265 1.00 0.00 H new ATOM 1157 N ASN A 971 -28.621 -3.739 4.575 1.00 0.00 N ATOM 1158 CA ASN A 971 -29.347 -3.571 3.326 1.00 0.00 C ATOM 1159 C ASN A 971 -28.398 -3.558 2.128 1.00 0.00 C ATOM 1160 O ASN A 971 -28.640 -2.854 1.146 1.00 0.00 O ATOM 1161 CB ASN A 971 -30.170 -2.282 3.361 1.00 0.00 C ATOM 1162 CG ASN A 971 -31.211 -2.291 4.462 1.00 0.00 C ATOM 1163 OD1 ASN A 971 -32.088 -3.154 4.496 1.00 0.00 O ATOM 1164 ND2 ASN A 971 -31.120 -1.328 5.373 1.00 0.00 N ATOM 0 H ASN A 971 -28.484 -2.874 5.098 1.00 0.00 H new ATOM 0 HA ASN A 971 -30.020 -4.421 3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -29.503 -1.432 3.503 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -30.664 -2.143 2.399 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -31.793 -1.285 6.138 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -30.377 -0.632 5.307 1.00 0.00 H new ATOM 1171 N GLY A 972 -27.321 -4.335 2.209 1.00 0.00 N ATOM 1172 CA GLY A 972 -26.366 -4.385 1.116 1.00 0.00 C ATOM 1173 C GLY A 972 -25.169 -5.268 1.416 1.00 0.00 C ATOM 1174 O GLY A 972 -25.289 -6.266 2.127 1.00 0.00 O ATOM 0 H GLY A 972 -27.094 -4.928 3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -26.866 -4.752 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -26.020 -3.375 0.896 1.00 0.00 H new ATOM 1178 N MET A 973 -24.011 -4.895 0.865 1.00 0.00 N ATOM 1179 CA MET A 973 -22.774 -5.652 1.063 1.00 0.00 C ATOM 1180 C MET A 973 -21.642 -5.079 0.213 1.00 0.00 C ATOM 1181 O MET A 973 -21.851 -4.696 -0.941 1.00 0.00 O ATOM 1182 CB MET A 973 -22.987 -7.126 0.714 1.00 0.00 C ATOM 1183 CG MET A 973 -23.541 -7.340 -0.683 1.00 0.00 C ATOM 1184 SD MET A 973 -23.818 -9.079 -1.064 1.00 0.00 S ATOM 1185 CE MET A 973 -24.526 -8.944 -2.701 1.00 0.00 C ATOM 0 H MET A 973 -23.905 -4.069 0.276 1.00 0.00 H new ATOM 0 HA MET A 973 -22.496 -5.571 2.114 1.00 0.00 H new ATOM 0 HB2 MET A 973 -22.038 -7.654 0.806 1.00 0.00 H new ATOM 0 HB3 MET A 973 -23.670 -7.569 1.439 1.00 0.00 H new ATOM 0 HG2 MET A 973 -24.480 -6.796 -0.784 1.00 0.00 H new ATOM 0 HG3 MET A 973 -22.849 -6.919 -1.412 1.00 0.00 H new ATOM 0 HE1 MET A 973 -24.756 -9.939 -3.081 1.00 0.00 H new ATOM 0 HE2 MET A 973 -25.441 -8.353 -2.654 1.00 0.00 H new ATOM 0 HE3 MET A 973 -23.813 -8.457 -3.367 1.00 0.00 H new ATOM 1195 N VAL A 974 -20.444 -5.024 0.790 1.00 0.00 N ATOM 1196 CA VAL A 974 -19.275 -4.502 0.085 1.00 0.00 C ATOM 1197 C VAL A 974 -18.463 -5.624 -0.547 1.00 0.00 C ATOM 1198 O VAL A 974 -18.247 -6.670 0.066 1.00 0.00 O ATOM 1199 CB VAL A 974 -18.347 -3.702 1.023 1.00 0.00 C ATOM 1200 CG1 VAL A 974 -17.772 -4.596 2.111 1.00 0.00 C ATOM 1201 CG2 VAL A 974 -17.220 -3.062 0.231 1.00 0.00 C ATOM 0 H VAL A 974 -20.257 -5.334 1.743 1.00 0.00 H new ATOM 0 HA VAL A 974 -19.660 -3.840 -0.691 1.00 0.00 H new ATOM 0 HB VAL A 974 -18.940 -2.919 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -17.121 -4.008 2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -18.585 -5.020 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -17.197 -5.402 1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -16.574 -2.501 0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -16.639 -3.838 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -17.638 -2.387 -0.516 1.00 0.00 H new ATOM 1211 N HIS A 975 -17.989 -5.394 -1.766 1.00 0.00 N ATOM 1212 CA HIS A 975 -17.173 -6.380 -2.453 1.00 0.00 C ATOM 1213 C HIS A 975 -15.702 -6.079 -2.226 1.00 0.00 C ATOM 1214 O HIS A 975 -15.188 -5.062 -2.703 1.00 0.00 O ATOM 1215 CB HIS A 975 -17.457 -6.401 -3.955 1.00 0.00 C ATOM 1216 CG HIS A 975 -18.899 -6.576 -4.306 1.00 0.00 C ATOM 1217 ND1 HIS A 975 -19.667 -5.931 -5.213 1.00 0.00 N flip ATOM 1218 CD2 HIS A 975 -19.715 -7.518 -3.717 1.00 0.00 C flip ATOM 1219 CE1 HIS A 975 -20.921 -6.487 -5.156 1.00 0.00 C flip ATOM 1220 NE2 HIS A 975 -20.923 -7.444 -4.246 1.00 0.00 N flip ATOM 0 H HIS A 975 -18.156 -4.537 -2.294 1.00 0.00 H new ATOM 0 HA HIS A 975 -17.424 -7.359 -2.045 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -17.099 -5.470 -4.394 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -16.884 -7.209 -4.410 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -19.414 -8.209 -2.944 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -21.768 -6.190 -5.757 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -21.721 -8.027 -3.994 1.00 0.00 H new ATOM 1229 N VAL A 976 -15.033 -6.968 -1.503 1.00 0.00 N ATOM 1230 CA VAL A 976 -13.618 -6.812 -1.211 1.00 0.00 C ATOM 1231 C VAL A 976 -12.802 -6.908 -2.486 1.00 0.00 C ATOM 1232 O VAL A 976 -11.722 -6.326 -2.598 1.00 0.00 O ATOM 1233 CB VAL A 976 -13.144 -7.868 -0.198 1.00 0.00 C ATOM 1234 CG1 VAL A 976 -11.656 -7.725 0.085 1.00 0.00 C ATOM 1235 CG2 VAL A 976 -13.956 -7.750 1.083 1.00 0.00 C ATOM 0 H VAL A 976 -15.453 -7.809 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 976 -13.471 -5.826 -0.770 1.00 0.00 H new ATOM 0 HB VAL A 976 -13.301 -8.859 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 976 -11.348 -8.484 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 976 -11.096 -7.854 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 976 -11.457 -6.735 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 976 -13.618 -8.499 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 976 -13.822 -6.755 1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -15.011 -7.910 0.861 1.00 0.00 H new ATOM 1245 N ILE A 977 -13.342 -7.638 -3.446 1.00 0.00 N ATOM 1246 CA ILE A 977 -12.694 -7.818 -4.730 1.00 0.00 C ATOM 1247 C ILE A 977 -11.290 -8.390 -4.561 1.00 0.00 C ATOM 1248 O ILE A 977 -10.299 -7.785 -4.967 1.00 0.00 O ATOM 1249 CB ILE A 977 -12.656 -6.505 -5.524 1.00 0.00 C ATOM 1250 CG1 ILE A 977 -14.049 -5.872 -5.504 1.00 0.00 C ATOM 1251 CG2 ILE A 977 -12.207 -6.766 -6.956 1.00 0.00 C ATOM 1252 CD1 ILE A 977 -14.242 -4.788 -6.530 1.00 0.00 C ATOM 0 H ILE A 977 -14.237 -8.120 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 977 -13.285 -8.536 -5.299 1.00 0.00 H new ATOM 0 HB ILE A 977 -11.941 -5.821 -5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -14.794 -6.651 -5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -14.235 -5.458 -4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 977 -12.185 -5.826 -7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 977 -11.210 -7.207 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -12.904 -7.452 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -15.254 -4.389 -6.452 1.00 0.00 H new ATOM 0 HD12 ILE A 977 -13.522 -3.988 -6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 977 -14.090 -5.200 -7.528 1.00 0.00 H new ATOM 1264 N THR A 978 -11.248 -9.574 -3.949 1.00 0.00 N ATOM 1265 CA THR A 978 -10.016 -10.323 -3.680 1.00 0.00 C ATOM 1266 C THR A 978 -9.226 -9.763 -2.506 1.00 0.00 C ATOM 1267 O THR A 978 -8.813 -10.517 -1.625 1.00 0.00 O ATOM 1268 CB THR A 978 -9.074 -10.390 -4.901 1.00 0.00 C ATOM 1269 OG1 THR A 978 -8.390 -9.143 -5.074 1.00 0.00 O ATOM 1270 CG2 THR A 978 -9.847 -10.721 -6.164 1.00 0.00 C ATOM 0 H THR A 978 -12.087 -10.051 -3.619 1.00 0.00 H new ATOM 0 HA THR A 978 -10.364 -11.327 -3.436 1.00 0.00 H new ATOM 0 HB THR A 978 -8.345 -11.179 -4.717 1.00 0.00 H new ATOM 0 HG1 THR A 978 -9.034 -8.450 -5.330 1.00 0.00 H new ATOM 0 HG21 THR A 978 -9.161 -10.762 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 978 -10.338 -11.687 -6.047 1.00 0.00 H new ATOM 0 HG23 THR A 978 -10.598 -9.952 -6.343 1.00 0.00 H new ATOM 1278 N ASP A 979 -8.989 -8.459 -2.492 1.00 0.00 N ATOM 1279 CA ASP A 979 -8.215 -7.871 -1.408 1.00 0.00 C ATOM 1280 C ASP A 979 -8.446 -6.371 -1.275 1.00 0.00 C ATOM 1281 O ASP A 979 -8.505 -5.648 -2.269 1.00 0.00 O ATOM 1282 CB ASP A 979 -6.731 -8.161 -1.633 1.00 0.00 C ATOM 1283 CG ASP A 979 -6.229 -7.656 -2.972 1.00 0.00 C ATOM 1284 OD1 ASP A 979 -6.249 -6.427 -3.192 1.00 0.00 O ATOM 1285 OD2 ASP A 979 -5.815 -8.492 -3.804 1.00 0.00 O ATOM 0 H ASP A 979 -9.313 -7.801 -3.201 1.00 0.00 H new ATOM 0 HA ASP A 979 -8.549 -8.325 -0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 979 -6.150 -7.699 -0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 979 -6.562 -9.236 -1.569 1.00 0.00 H new ATOM 1290 N ILE A 980 -8.561 -5.907 -0.032 1.00 0.00 N ATOM 1291 CA ILE A 980 -8.765 -4.490 0.239 1.00 0.00 C ATOM 1292 C ILE A 980 -7.432 -3.774 0.435 1.00 0.00 C ATOM 1293 O ILE A 980 -7.339 -2.806 1.191 1.00 0.00 O ATOM 1294 CB ILE A 980 -9.651 -4.266 1.481 1.00 0.00 C ATOM 1295 CG1 ILE A 980 -9.112 -5.057 2.676 1.00 0.00 C ATOM 1296 CG2 ILE A 980 -11.091 -4.652 1.181 1.00 0.00 C ATOM 1297 CD1 ILE A 980 -9.949 -4.908 3.930 1.00 0.00 C ATOM 0 H ILE A 980 -8.516 -6.493 0.801 1.00 0.00 H new ATOM 0 HA ILE A 980 -9.275 -4.074 -0.630 1.00 0.00 H new ATOM 0 HB ILE A 980 -9.628 -3.207 1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 980 -9.059 -6.112 2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 980 -8.094 -4.730 2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 980 -11.704 -4.488 2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 980 -11.468 -4.041 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 980 -11.135 -5.704 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 980 -9.507 -5.496 4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 980 -9.982 -3.859 4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 980 -10.961 -5.262 3.736 1.00 0.00 H new ATOM 1309 N GLN A 981 -6.405 -4.248 -0.268 1.00 0.00 N ATOM 1310 CA GLN A 981 -5.078 -3.646 -0.189 1.00 0.00 C ATOM 1311 C GLN A 981 -5.043 -2.340 -0.969 1.00 0.00 C ATOM 1312 O GLN A 981 -5.852 -2.131 -1.871 1.00 0.00 O ATOM 1313 CB GLN A 981 -4.013 -4.603 -0.736 1.00 0.00 C ATOM 1314 CG GLN A 981 -3.300 -5.419 0.332 1.00 0.00 C ATOM 1315 CD GLN A 981 -4.241 -6.249 1.181 1.00 0.00 C ATOM 1316 OE1 GLN A 981 -5.045 -7.023 0.664 1.00 0.00 O ATOM 1317 NE2 GLN A 981 -4.131 -6.101 2.497 1.00 0.00 N ATOM 0 H GLN A 981 -6.468 -5.047 -0.898 1.00 0.00 H new ATOM 0 HA GLN A 981 -4.861 -3.443 0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 981 -4.483 -5.285 -1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 981 -3.273 -4.026 -1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 981 -2.577 -6.079 -0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 981 -2.737 -4.746 0.978 1.00 0.00 H new ATOM 0 HE21 GLN A 981 -3.449 -5.447 2.881 1.00 0.00 H new ATOM 0 HE22 GLN A 981 -4.728 -6.642 3.123 1.00 0.00 H new ATOM 1326 N VAL A 982 -4.108 -1.465 -0.612 1.00 0.00 N ATOM 1327 CA VAL A 982 -3.972 -0.175 -1.279 1.00 0.00 C ATOM 1328 C VAL A 982 -3.826 -0.352 -2.786 1.00 0.00 C ATOM 1329 O VAL A 982 -2.715 -0.422 -3.314 1.00 0.00 O ATOM 1330 CB VAL A 982 -2.764 0.609 -0.740 1.00 0.00 C ATOM 1331 CG1 VAL A 982 -2.646 1.955 -1.437 1.00 0.00 C ATOM 1332 CG2 VAL A 982 -2.881 0.788 0.763 1.00 0.00 C ATOM 0 H VAL A 982 -3.433 -1.626 0.136 1.00 0.00 H new ATOM 0 HA VAL A 982 -4.880 0.390 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 982 -1.858 0.040 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 982 -1.785 2.495 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 982 -2.517 1.800 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 982 -3.551 2.536 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 982 -2.019 1.345 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 982 -3.794 1.337 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 982 -2.914 -0.189 1.244 1.00 0.00 H new ATOM 1342 N GLY A 983 -4.962 -0.431 -3.466 1.00 0.00 N ATOM 1343 CA GLY A 983 -4.964 -0.608 -4.904 1.00 0.00 C ATOM 1344 C GLY A 983 -6.320 -1.049 -5.418 1.00 0.00 C ATOM 1345 O GLY A 983 -6.852 -0.468 -6.365 1.00 0.00 O ATOM 0 H GLY A 983 -5.888 -0.375 -3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 983 -4.680 0.328 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 983 -4.213 -1.348 -5.180 1.00 0.00 H new ATOM 1349 N SER A 984 -6.886 -2.075 -4.784 1.00 0.00 N ATOM 1350 CA SER A 984 -8.190 -2.587 -5.177 1.00 0.00 C ATOM 1351 C SER A 984 -9.304 -1.721 -4.602 1.00 0.00 C ATOM 1352 O SER A 984 -9.216 -1.244 -3.468 1.00 0.00 O ATOM 1353 CB SER A 984 -8.358 -4.033 -4.711 1.00 0.00 C ATOM 1354 OG SER A 984 -9.627 -4.544 -5.082 1.00 0.00 O ATOM 0 H SER A 984 -6.460 -2.565 -3.998 1.00 0.00 H new ATOM 0 HA SER A 984 -8.253 -2.558 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 984 -7.572 -4.652 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 984 -8.244 -4.085 -3.628 1.00 0.00 H new ATOM 0 HG SER A 984 -9.634 -5.517 -4.967 1.00 0.00 H new ATOM 1360 N ARG A 985 -10.351 -1.520 -5.392 1.00 0.00 N ATOM 1361 CA ARG A 985 -11.483 -0.715 -4.960 1.00 0.00 C ATOM 1362 C ARG A 985 -12.640 -1.606 -4.518 1.00 0.00 C ATOM 1363 O ARG A 985 -12.952 -2.602 -5.167 1.00 0.00 O ATOM 1364 CB ARG A 985 -11.931 0.219 -6.089 1.00 0.00 C ATOM 1365 CG ARG A 985 -12.480 -0.504 -7.308 1.00 0.00 C ATOM 1366 CD ARG A 985 -12.704 0.453 -8.469 1.00 0.00 C ATOM 1367 NE ARG A 985 -13.518 1.604 -8.088 1.00 0.00 N ATOM 1368 CZ ARG A 985 -13.847 2.583 -8.926 1.00 0.00 C ATOM 1369 NH1 ARG A 985 -13.459 2.535 -10.194 1.00 0.00 N ATOM 1370 NH2 ARG A 985 -14.569 3.610 -8.499 1.00 0.00 N ATOM 0 H ARG A 985 -10.439 -1.903 -6.333 1.00 0.00 H new ATOM 0 HA ARG A 985 -11.171 -0.111 -4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 985 -12.695 0.895 -5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 985 -11.085 0.835 -6.395 1.00 0.00 H new ATOM 0 HG2 ARG A 985 -11.786 -1.288 -7.610 1.00 0.00 H new ATOM 0 HG3 ARG A 985 -13.420 -0.992 -7.050 1.00 0.00 H new ATOM 0 HD2 ARG A 985 -11.740 0.800 -8.843 1.00 0.00 H new ATOM 0 HD3 ARG A 985 -13.190 -0.079 -9.287 1.00 0.00 H new ATOM 0 HE ARG A 985 -13.853 1.660 -7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 985 -12.907 1.746 -10.529 1.00 0.00 H new ATOM 0 HH12 ARG A 985 -13.713 3.288 -10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 985 -14.873 3.650 -7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 985 -14.820 4.360 -9.143 1.00 0.00 H new ATOM 1384 N ILE A 986 -13.275 -1.236 -3.412 1.00 0.00 N ATOM 1385 CA ILE A 986 -14.401 -1.994 -2.883 1.00 0.00 C ATOM 1386 C ILE A 986 -15.702 -1.492 -3.490 1.00 0.00 C ATOM 1387 O ILE A 986 -15.996 -0.297 -3.449 1.00 0.00 O ATOM 1388 CB ILE A 986 -14.484 -1.871 -1.353 1.00 0.00 C ATOM 1389 CG1 ILE A 986 -14.428 -0.397 -0.938 1.00 0.00 C ATOM 1390 CG2 ILE A 986 -13.364 -2.668 -0.701 1.00 0.00 C ATOM 1391 CD1 ILE A 986 -14.524 -0.176 0.554 1.00 0.00 C ATOM 0 H ILE A 986 -13.028 -0.413 -2.863 1.00 0.00 H new ATOM 0 HA ILE A 986 -14.247 -3.041 -3.145 1.00 0.00 H new ATOM 0 HB ILE A 986 -15.434 -2.283 -1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 986 -13.496 0.037 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 986 -15.241 0.139 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 986 -13.433 -2.573 0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 986 -13.454 -3.718 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 986 -12.401 -2.285 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 986 -14.477 0.892 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 986 -15.468 -0.578 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 986 -13.696 -0.682 1.051 1.00 0.00 H new ATOM 1403 N THR A 987 -16.477 -2.404 -4.062 1.00 0.00 N ATOM 1404 CA THR A 987 -17.741 -2.024 -4.681 1.00 0.00 C ATOM 1405 C THR A 987 -18.930 -2.396 -3.819 1.00 0.00 C ATOM 1406 O THR A 987 -19.067 -3.533 -3.376 1.00 0.00 O ATOM 1407 CB THR A 987 -17.908 -2.639 -6.076 1.00 0.00 C ATOM 1408 OG1 THR A 987 -17.485 -4.008 -6.072 1.00 0.00 O ATOM 1409 CG2 THR A 987 -17.120 -1.846 -7.100 1.00 0.00 C ATOM 0 H THR A 987 -16.258 -3.399 -4.111 1.00 0.00 H new ATOM 0 HA THR A 987 -17.709 -0.939 -4.781 1.00 0.00 H new ATOM 0 HB THR A 987 -18.963 -2.603 -6.347 1.00 0.00 H new ATOM 0 HG1 THR A 987 -18.252 -4.587 -5.879 1.00 0.00 H new ATOM 0 HG21 THR A 987 -17.248 -2.295 -8.085 1.00 0.00 H new ATOM 0 HG22 THR A 987 -17.481 -0.818 -7.120 1.00 0.00 H new ATOM 0 HG23 THR A 987 -16.063 -1.855 -6.832 1.00 0.00 H new ATOM 1417 N TYR A 988 -19.789 -1.419 -3.591 1.00 0.00 N ATOM 1418 CA TYR A 988 -20.981 -1.622 -2.779 1.00 0.00 C ATOM 1419 C TYR A 988 -22.194 -1.914 -3.648 1.00 0.00 C ATOM 1420 O TYR A 988 -22.343 -1.356 -4.736 1.00 0.00 O ATOM 1421 CB TYR A 988 -21.246 -0.399 -1.900 1.00 0.00 C ATOM 1422 CG TYR A 988 -20.175 -0.150 -0.859 1.00 0.00 C ATOM 1423 CD1 TYR A 988 -18.842 -0.001 -1.222 1.00 0.00 C ATOM 1424 CD2 TYR A 988 -20.500 -0.068 0.490 1.00 0.00 C ATOM 1425 CE1 TYR A 988 -17.864 0.223 -0.273 1.00 0.00 C ATOM 1426 CE2 TYR A 988 -19.527 0.157 1.444 1.00 0.00 C ATOM 1427 CZ TYR A 988 -18.212 0.301 1.058 1.00 0.00 C ATOM 1428 OH TYR A 988 -17.240 0.523 2.006 1.00 0.00 O ATOM 0 H TYR A 988 -19.685 -0.473 -3.957 1.00 0.00 H new ATOM 0 HA TYR A 988 -20.804 -2.486 -2.138 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -21.333 0.482 -2.536 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -22.205 -0.525 -1.398 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -18.566 -0.061 -2.264 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -21.529 -0.182 0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -16.833 0.336 -0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -19.796 0.220 2.488 1.00 0.00 H new ATOM 0 HH TYR A 988 -16.711 1.309 1.754 1.00 0.00 H new ATOM 1438 N SER A 989 -23.063 -2.788 -3.157 1.00 0.00 N ATOM 1439 CA SER A 989 -24.271 -3.152 -3.881 1.00 0.00 C ATOM 1440 C SER A 989 -25.389 -3.487 -2.904 1.00 0.00 C ATOM 1441 O SER A 989 -25.286 -4.433 -2.123 1.00 0.00 O ATOM 1442 CB SER A 989 -24.004 -4.345 -4.801 1.00 0.00 C ATOM 1443 OG SER A 989 -23.604 -5.484 -4.058 1.00 0.00 O ATOM 0 H SER A 989 -22.952 -3.258 -2.259 1.00 0.00 H new ATOM 0 HA SER A 989 -24.578 -2.302 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 989 -24.904 -4.577 -5.371 1.00 0.00 H new ATOM 0 HB3 SER A 989 -23.228 -4.086 -5.521 1.00 0.00 H new ATOM 0 HG SER A 989 -23.956 -5.419 -3.146 1.00 0.00 H new ATOM 1449 N CYS A 990 -26.455 -2.696 -2.950 1.00 0.00 N ATOM 1450 CA CYS A 990 -27.594 -2.895 -2.067 1.00 0.00 C ATOM 1451 C CYS A 990 -28.308 -4.202 -2.390 1.00 0.00 C ATOM 1452 O CYS A 990 -28.571 -4.507 -3.554 1.00 0.00 O ATOM 1453 CB CYS A 990 -28.563 -1.720 -2.190 1.00 0.00 C ATOM 1454 SG CYS A 990 -27.797 -0.089 -1.912 1.00 0.00 S ATOM 0 H CYS A 990 -26.552 -1.909 -3.592 1.00 0.00 H new ATOM 0 HA CYS A 990 -27.229 -2.950 -1.041 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -29.010 -1.735 -3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -29.374 -1.855 -1.474 1.00 0.00 H new ATOM 1459 N THR A 991 -28.618 -4.970 -1.351 1.00 0.00 N ATOM 1460 CA THR A 991 -29.300 -6.248 -1.518 1.00 0.00 C ATOM 1461 C THR A 991 -30.737 -6.044 -2.005 1.00 0.00 C ATOM 1462 O THR A 991 -31.013 -5.106 -2.752 1.00 0.00 O ATOM 1463 CB THR A 991 -29.285 -7.048 -0.196 1.00 0.00 C ATOM 1464 OG1 THR A 991 -29.824 -8.361 -0.398 1.00 0.00 O ATOM 1465 CG2 THR A 991 -30.074 -6.329 0.889 1.00 0.00 C ATOM 0 H THR A 991 -28.407 -4.729 -0.383 1.00 0.00 H new ATOM 0 HA THR A 991 -28.764 -6.820 -2.276 1.00 0.00 H new ATOM 0 HB THR A 991 -28.248 -7.133 0.129 1.00 0.00 H new ATOM 0 HG1 THR A 991 -29.806 -8.856 0.448 1.00 0.00 H new ATOM 0 HG21 THR A 991 -30.046 -6.915 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 991 -29.633 -5.349 1.070 1.00 0.00 H new ATOM 0 HG23 THR A 991 -31.108 -6.208 0.567 1.00 0.00 H new ATOM 1473 N THR A 992 -31.631 -6.935 -1.577 1.00 0.00 N ATOM 1474 CA THR A 992 -33.050 -6.905 -1.947 1.00 0.00 C ATOM 1475 C THR A 992 -33.362 -5.882 -3.036 1.00 0.00 C ATOM 1476 O THR A 992 -33.291 -6.192 -4.226 1.00 0.00 O ATOM 1477 CB THR A 992 -33.936 -6.620 -0.718 1.00 0.00 C ATOM 1478 OG1 THR A 992 -33.662 -7.575 0.314 1.00 0.00 O ATOM 1479 CG2 THR A 992 -35.412 -6.682 -1.086 1.00 0.00 C ATOM 0 H THR A 992 -31.390 -7.708 -0.956 1.00 0.00 H new ATOM 0 HA THR A 992 -33.273 -7.895 -2.345 1.00 0.00 H new ATOM 0 HB THR A 992 -33.707 -5.616 -0.360 1.00 0.00 H new ATOM 0 HG1 THR A 992 -34.227 -7.387 1.092 1.00 0.00 H new ATOM 0 HG21 THR A 992 -36.016 -6.478 -0.202 1.00 0.00 H new ATOM 0 HG22 THR A 992 -35.627 -5.938 -1.853 1.00 0.00 H new ATOM 0 HG23 THR A 992 -35.651 -7.675 -1.467 1.00 0.00 H new ATOM 1487 N GLY A 993 -33.709 -4.666 -2.629 1.00 0.00 N ATOM 1488 CA GLY A 993 -34.029 -3.631 -3.591 1.00 0.00 C ATOM 1489 C GLY A 993 -33.886 -2.243 -3.009 1.00 0.00 C ATOM 1490 O GLY A 993 -34.748 -1.386 -3.202 1.00 0.00 O ATOM 0 H GLY A 993 -33.774 -4.380 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -33.375 -3.728 -4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -35.050 -3.771 -3.945 1.00 0.00 H new ATOM 1494 N HIS A 994 -32.790 -2.025 -2.292 1.00 0.00 N ATOM 1495 CA HIS A 994 -32.528 -0.735 -1.675 1.00 0.00 C ATOM 1496 C HIS A 994 -31.666 0.137 -2.583 1.00 0.00 C ATOM 1497 O HIS A 994 -30.935 -0.362 -3.438 1.00 0.00 O ATOM 1498 CB HIS A 994 -31.844 -0.926 -0.320 1.00 0.00 C ATOM 1499 CG HIS A 994 -32.648 -1.747 0.640 1.00 0.00 C ATOM 1500 ND1 HIS A 994 -33.023 -3.049 0.386 1.00 0.00 N ATOM 1501 CD2 HIS A 994 -33.153 -1.445 1.861 1.00 0.00 C ATOM 1502 CE1 HIS A 994 -33.724 -3.512 1.406 1.00 0.00 C ATOM 1503 NE2 HIS A 994 -33.817 -2.558 2.314 1.00 0.00 N ATOM 0 H HIS A 994 -32.069 -2.727 -2.125 1.00 0.00 H new ATOM 0 HA HIS A 994 -33.482 -0.230 -1.522 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -30.876 -1.404 -0.474 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -31.650 0.051 0.122 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -33.052 -0.504 2.381 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -34.149 -4.502 1.484 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -34.303 -2.635 3.207 1.00 0.00 H new ATOM 1512 N ARG A 995 -31.780 1.443 -2.394 1.00 0.00 N ATOM 1513 CA ARG A 995 -31.042 2.417 -3.188 1.00 0.00 C ATOM 1514 C ARG A 995 -29.692 2.751 -2.556 1.00 0.00 C ATOM 1515 O ARG A 995 -29.610 3.059 -1.367 1.00 0.00 O ATOM 1516 CB ARG A 995 -31.888 3.687 -3.336 1.00 0.00 C ATOM 1517 CG ARG A 995 -31.091 4.947 -3.634 1.00 0.00 C ATOM 1518 CD ARG A 995 -30.314 4.835 -4.934 1.00 0.00 C ATOM 1519 NE ARG A 995 -29.615 6.075 -5.266 1.00 0.00 N ATOM 1520 CZ ARG A 995 -30.230 7.229 -5.517 1.00 0.00 C ATOM 1521 NH1 ARG A 995 -31.555 7.300 -5.493 1.00 0.00 N ATOM 1522 NH2 ARG A 995 -29.519 8.312 -5.798 1.00 0.00 N ATOM 0 H ARG A 995 -32.386 1.859 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 995 -30.843 1.986 -4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -32.613 3.534 -4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -32.454 3.840 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -31.768 5.800 -3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -30.400 5.141 -2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -29.592 4.022 -4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -30.997 4.577 -5.743 1.00 0.00 H new ATOM 0 HE ARG A 995 -28.596 6.055 -5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -32.107 6.468 -5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -32.022 8.186 -5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -28.501 8.261 -5.822 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -29.990 9.196 -5.990 1.00 0.00 H new ATOM 1536 N LEU A 996 -28.639 2.698 -3.369 1.00 0.00 N ATOM 1537 CA LEU A 996 -27.292 3.006 -2.902 1.00 0.00 C ATOM 1538 C LEU A 996 -27.195 4.486 -2.554 1.00 0.00 C ATOM 1539 O LEU A 996 -27.677 5.338 -3.299 1.00 0.00 O ATOM 1540 CB LEU A 996 -26.264 2.632 -3.977 1.00 0.00 C ATOM 1541 CG LEU A 996 -24.801 2.708 -3.549 1.00 0.00 C ATOM 1542 CD1 LEU A 996 -23.934 1.856 -4.461 1.00 0.00 C ATOM 1543 CD2 LEU A 996 -24.332 4.146 -3.550 1.00 0.00 C ATOM 0 H LEU A 996 -28.694 2.444 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 996 -27.078 2.423 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -26.472 1.617 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -26.407 3.289 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 996 -24.711 2.317 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -22.894 1.922 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -24.264 0.818 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -24.022 2.215 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -23.287 4.188 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -24.433 4.561 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -24.938 4.727 -2.855 1.00 0.00 H new ATOM 1555 N ILE A 997 -26.595 4.789 -1.408 1.00 0.00 N ATOM 1556 CA ILE A 997 -26.474 6.171 -0.966 1.00 0.00 C ATOM 1557 C ILE A 997 -25.046 6.696 -1.087 1.00 0.00 C ATOM 1558 O ILE A 997 -24.116 6.140 -0.503 1.00 0.00 O ATOM 1559 CB ILE A 997 -26.941 6.323 0.494 1.00 0.00 C ATOM 1560 CG1 ILE A 997 -28.278 5.628 0.706 1.00 0.00 C ATOM 1561 CG2 ILE A 997 -27.053 7.784 0.876 1.00 0.00 C ATOM 1562 CD1 ILE A 997 -29.307 5.975 -0.336 1.00 0.00 C ATOM 0 H ILE A 997 -26.188 4.102 -0.774 1.00 0.00 H new ATOM 0 HA ILE A 997 -27.113 6.760 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 997 -26.194 5.852 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -28.122 4.549 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -28.665 5.894 1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -27.384 7.865 1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -26.080 8.264 0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -27.775 8.276 0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -30.235 5.444 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -29.492 7.049 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -28.941 5.684 -1.320 1.00 0.00 H new ATOM 1574 N GLY A 998 -24.894 7.793 -1.827 1.00 0.00 N ATOM 1575 CA GLY A 998 -23.591 8.416 -2.004 1.00 0.00 C ATOM 1576 C GLY A 998 -22.553 7.515 -2.647 1.00 0.00 C ATOM 1577 O GLY A 998 -22.391 6.358 -2.261 1.00 0.00 O ATOM 0 H GLY A 998 -25.658 8.265 -2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -23.708 9.310 -2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -23.221 8.741 -1.032 1.00 0.00 H new ATOM 1581 N HIS A 999 -21.828 8.067 -3.617 1.00 0.00 N ATOM 1582 CA HIS A 999 -20.772 7.339 -4.311 1.00 0.00 C ATOM 1583 C HIS A 999 -21.244 5.958 -4.768 1.00 0.00 C ATOM 1584 O HIS A 999 -22.387 5.799 -5.196 1.00 0.00 O ATOM 1585 CB HIS A 999 -19.555 7.223 -3.393 1.00 0.00 C ATOM 1586 CG HIS A 999 -18.997 8.550 -2.973 1.00 0.00 C ATOM 1587 ND1 HIS A 999 -17.972 8.682 -2.061 1.00 0.00 N ATOM 1588 CD2 HIS A 999 -19.329 9.811 -3.346 1.00 0.00 C ATOM 1589 CE1 HIS A 999 -17.698 9.964 -1.890 1.00 0.00 C ATOM 1590 NE2 HIS A 999 -18.507 10.668 -2.659 1.00 0.00 N ATOM 0 H HIS A 999 -21.956 9.026 -3.942 1.00 0.00 H new ATOM 0 HA HIS A 999 -20.499 7.893 -5.209 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -19.832 6.656 -2.504 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -18.777 6.655 -3.903 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -20.097 10.089 -4.052 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -16.941 10.366 -1.233 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -18.519 11.685 -2.731 1.00 0.00 H new ATOM 1599 N SER A1000 -20.358 4.964 -4.677 1.00 0.00 N ATOM 1600 CA SER A1000 -20.688 3.600 -5.088 1.00 0.00 C ATOM 1601 C SER A1000 -19.520 2.648 -4.835 1.00 0.00 C ATOM 1602 O SER A1000 -19.720 1.475 -4.521 1.00 0.00 O ATOM 1603 CB SER A1000 -21.071 3.567 -6.569 1.00 0.00 C ATOM 1604 OG SER A1000 -20.010 4.040 -7.382 1.00 0.00 O ATOM 0 H SER A1000 -19.408 5.079 -4.323 1.00 0.00 H new ATOM 0 HA SER A1000 -21.537 3.269 -4.490 1.00 0.00 H new ATOM 0 HB2 SER A1000 -21.328 2.548 -6.858 1.00 0.00 H new ATOM 0 HB3 SER A1000 -21.958 4.179 -6.732 1.00 0.00 H new ATOM 0 HG SER A1000 -20.280 4.007 -8.324 1.00 0.00 H new ATOM 1610 N SER A1001 -18.301 3.159 -4.986 1.00 0.00 N ATOM 1611 CA SER A1001 -17.099 2.354 -4.788 1.00 0.00 C ATOM 1612 C SER A1001 -15.926 3.229 -4.347 1.00 0.00 C ATOM 1613 O SER A1001 -15.918 4.436 -4.589 1.00 0.00 O ATOM 1614 CB SER A1001 -16.742 1.609 -6.076 1.00 0.00 C ATOM 1615 OG SER A1001 -16.551 2.513 -7.149 1.00 0.00 O ATOM 0 H SER A1001 -18.119 4.129 -5.245 1.00 0.00 H new ATOM 0 HA SER A1001 -17.302 1.627 -4.002 1.00 0.00 H new ATOM 0 HB2 SER A1001 -15.835 1.024 -5.923 1.00 0.00 H new ATOM 0 HB3 SER A1001 -17.536 0.906 -6.326 1.00 0.00 H new ATOM 0 HG SER A1001 -16.417 2.011 -7.980 1.00 0.00 H new ATOM 1621 N ALA A1002 -14.941 2.614 -3.695 1.00 0.00 N ATOM 1622 CA ALA A1002 -13.769 3.346 -3.218 1.00 0.00 C ATOM 1623 C ALA A1002 -12.541 2.444 -3.146 1.00 0.00 C ATOM 1624 O ALA A1002 -12.607 1.329 -2.637 1.00 0.00 O ATOM 1625 CB ALA A1002 -14.052 3.955 -1.855 1.00 0.00 C ATOM 0 H ALA A1002 -14.931 1.616 -3.486 1.00 0.00 H new ATOM 0 HA ALA A1002 -13.558 4.143 -3.931 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -13.172 4.498 -1.509 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -14.895 4.641 -1.931 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -14.292 3.163 -1.145 1.00 0.00 H new ATOM 1631 N GLU A1003 -11.422 2.940 -3.663 1.00 0.00 N ATOM 1632 CA GLU A1003 -10.172 2.183 -3.667 1.00 0.00 C ATOM 1633 C GLU A1003 -9.281 2.552 -2.489 1.00 0.00 C ATOM 1634 O GLU A1003 -9.175 3.721 -2.120 1.00 0.00 O ATOM 1635 CB GLU A1003 -9.405 2.435 -4.965 1.00 0.00 C ATOM 1636 CG GLU A1003 -9.240 3.908 -5.293 1.00 0.00 C ATOM 1637 CD GLU A1003 -8.488 4.140 -6.589 1.00 0.00 C ATOM 1638 OE1 GLU A1003 -8.097 3.145 -7.236 1.00 0.00 O ATOM 1639 OE2 GLU A1003 -8.290 5.317 -6.959 1.00 0.00 O ATOM 0 H GLU A1003 -11.354 3.866 -4.086 1.00 0.00 H new ATOM 0 HA GLU A1003 -10.436 1.129 -3.584 1.00 0.00 H new ATOM 0 HB2 GLU A1003 -8.420 1.975 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU A1003 -9.926 1.944 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A1003 -10.224 4.373 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU A1003 -8.710 4.400 -4.477 1.00 0.00 H new ATOM 1646 N CYS A1004 -8.611 1.551 -1.926 1.00 0.00 N ATOM 1647 CA CYS A1004 -7.695 1.787 -0.818 1.00 0.00 C ATOM 1648 C CYS A1004 -6.470 2.512 -1.357 1.00 0.00 C ATOM 1649 O CYS A1004 -5.869 2.065 -2.334 1.00 0.00 O ATOM 1650 CB CYS A1004 -7.281 0.465 -0.169 1.00 0.00 C ATOM 1651 SG CYS A1004 -6.251 0.656 1.322 1.00 0.00 S ATOM 0 H CYS A1004 -8.685 0.576 -2.217 1.00 0.00 H new ATOM 0 HA CYS A1004 -8.187 2.393 -0.057 1.00 0.00 H new ATOM 0 HB2 CYS A1004 -8.179 -0.095 0.092 1.00 0.00 H new ATOM 0 HB3 CYS A1004 -6.735 -0.131 -0.900 1.00 0.00 H new ATOM 1656 N ILE A1005 -6.117 3.648 -0.762 1.00 0.00 N ATOM 1657 CA ILE A1005 -4.983 4.410 -1.266 1.00 0.00 C ATOM 1658 C ILE A1005 -4.088 4.991 -0.176 1.00 0.00 C ATOM 1659 O ILE A1005 -4.480 5.115 0.998 1.00 0.00 O ATOM 1660 CB ILE A1005 -5.455 5.555 -2.180 1.00 0.00 C ATOM 1661 CG1 ILE A1005 -6.449 6.453 -1.439 1.00 0.00 C ATOM 1662 CG2 ILE A1005 -6.074 4.993 -3.453 1.00 0.00 C ATOM 1663 CD1 ILE A1005 -6.912 7.647 -2.247 1.00 0.00 C ATOM 0 H ILE A1005 -6.587 4.052 0.048 1.00 0.00 H new ATOM 0 HA ILE A1005 -4.386 3.690 -1.825 1.00 0.00 H new ATOM 0 HB ILE A1005 -4.593 6.161 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A1005 -7.318 5.860 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A1005 -5.988 6.807 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A1005 -6.404 5.814 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A1005 -5.333 4.395 -3.985 1.00 0.00 H new ATOM 0 HG23 ILE A1005 -6.929 4.367 -3.196 1.00 0.00 H new ATOM 0 HD11 ILE A1005 -7.614 8.236 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A1005 -6.053 8.264 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A1005 -7.403 7.302 -3.157 1.00 0.00 H new ATOM 1675 N LEU A1006 -2.880 5.361 -0.622 1.00 0.00 N ATOM 1676 CA LEU A1006 -1.849 5.966 0.216 1.00 0.00 C ATOM 1677 C LEU A1006 -1.453 5.076 1.383 1.00 0.00 C ATOM 1678 O LEU A1006 -0.402 4.437 1.358 1.00 0.00 O ATOM 1679 CB LEU A1006 -2.325 7.328 0.718 1.00 0.00 C ATOM 1680 CG LEU A1006 -1.313 8.126 1.544 1.00 0.00 C ATOM 1681 CD1 LEU A1006 -1.269 7.641 2.983 1.00 0.00 C ATOM 1682 CD2 LEU A1006 0.072 8.069 0.907 1.00 0.00 C ATOM 0 H LEU A1006 -2.592 5.244 -1.593 1.00 0.00 H new ATOM 0 HA LEU A1006 -0.958 6.093 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A1006 -2.617 7.929 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A1006 -3.220 7.179 1.321 1.00 0.00 H new ATOM 0 HG LEU A1006 -1.640 9.166 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A1006 -0.541 8.228 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A1006 -2.254 7.757 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A1006 -0.981 6.590 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A1006 0.774 8.643 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A1006 0.404 7.032 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A1006 0.028 8.491 -0.097 1.00 0.00 H new ATOM 1694 N SER A1007 -2.291 5.059 2.403 1.00 0.00 N ATOM 1695 CA SER A1007 -2.047 4.268 3.596 1.00 0.00 C ATOM 1696 C SER A1007 -0.745 4.653 4.295 1.00 0.00 C ATOM 1697 O SER A1007 -0.652 5.729 4.882 1.00 0.00 O ATOM 1698 CB SER A1007 -2.090 2.779 3.282 1.00 0.00 C ATOM 1699 OG SER A1007 -1.024 2.384 2.437 1.00 0.00 O ATOM 0 H SER A1007 -3.160 5.593 2.428 1.00 0.00 H new ATOM 0 HA SER A1007 -2.853 4.490 4.296 1.00 0.00 H new ATOM 0 HB2 SER A1007 -2.046 2.211 4.211 1.00 0.00 H new ATOM 0 HB3 SER A1007 -3.040 2.536 2.805 1.00 0.00 H new ATOM 0 HG SER A1007 -0.483 3.167 2.205 1.00 0.00 H new ATOM 1705 N GLY A1008 0.248 3.770 4.275 1.00 0.00 N ATOM 1706 CA GLY A1008 1.485 4.079 4.958 1.00 0.00 C ATOM 1707 C GLY A1008 1.251 4.195 6.446 1.00 0.00 C ATOM 1708 O GLY A1008 0.912 3.213 7.108 1.00 0.00 O ATOM 0 H GLY A1008 0.219 2.864 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A1008 2.222 3.301 4.759 1.00 0.00 H new ATOM 0 HA3 GLY A1008 1.896 5.013 4.574 1.00 0.00 H new ATOM 1712 N ASN A1009 1.393 5.402 6.972 1.00 0.00 N ATOM 1713 CA ASN A1009 1.151 5.639 8.384 1.00 0.00 C ATOM 1714 C ASN A1009 -0.325 5.413 8.685 1.00 0.00 C ATOM 1715 O ASN A1009 -0.693 4.984 9.779 1.00 0.00 O ATOM 1716 CB ASN A1009 1.543 7.068 8.768 1.00 0.00 C ATOM 1717 CG ASN A1009 3.007 7.376 8.501 1.00 0.00 C ATOM 1718 OD1 ASN A1009 3.752 6.387 8.017 1.00 0.00 O flip ATOM 1719 ND2 ASN A1009 3.465 8.495 8.734 1.00 0.00 N flip ATOM 0 H ASN A1009 1.673 6.228 6.444 1.00 0.00 H new ATOM 0 HA ASN A1009 1.759 4.947 8.967 1.00 0.00 H new ATOM 0 HB2 ASN A1009 0.923 7.771 8.212 1.00 0.00 H new ATOM 0 HB3 ASN A1009 1.332 7.225 9.826 1.00 0.00 H new ATOM 0 HD21 ASN A1009 2.859 9.227 9.105 1.00 0.00 H new ATOM 0 HD22 ASN A1009 4.450 8.690 8.556 1.00 0.00 H new ATOM 1726 N THR A1010 -1.165 5.724 7.697 1.00 0.00 N ATOM 1727 CA THR A1010 -2.607 5.576 7.837 1.00 0.00 C ATOM 1728 C THR A1010 -3.271 5.272 6.496 1.00 0.00 C ATOM 1729 O THR A1010 -3.152 6.049 5.550 1.00 0.00 O ATOM 1730 CB THR A1010 -3.217 6.868 8.386 1.00 0.00 C ATOM 1731 OG1 THR A1010 -2.607 7.210 9.636 1.00 0.00 O ATOM 1732 CG2 THR A1010 -4.719 6.729 8.568 1.00 0.00 C ATOM 0 H THR A1010 -0.866 6.081 6.789 1.00 0.00 H new ATOM 0 HA THR A1010 -2.781 4.746 8.522 1.00 0.00 H new ATOM 0 HB THR A1010 -3.030 7.662 7.663 1.00 0.00 H new ATOM 0 HG1 THR A1010 -3.003 8.039 9.978 1.00 0.00 H new ATOM 0 HG21 THR A1010 -5.126 7.661 8.959 1.00 0.00 H new ATOM 0 HG22 THR A1010 -5.183 6.505 7.607 1.00 0.00 H new ATOM 0 HG23 THR A1010 -4.927 5.920 9.268 1.00 0.00 H new ATOM 1740 N ALA A1011 -3.985 4.151 6.424 1.00 0.00 N ATOM 1741 CA ALA A1011 -4.677 3.763 5.198 1.00 0.00 C ATOM 1742 C ALA A1011 -6.030 4.448 5.085 1.00 0.00 C ATOM 1743 O ALA A1011 -6.759 4.551 6.072 1.00 0.00 O ATOM 1744 CB ALA A1011 -4.835 2.249 5.139 1.00 0.00 C ATOM 0 H ALA A1011 -4.099 3.497 7.198 1.00 0.00 H new ATOM 0 HA ALA A1011 -4.072 4.087 4.351 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -5.352 1.973 4.220 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -3.851 1.780 5.157 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -5.414 1.910 5.998 1.00 0.00 H new ATOM 1750 N HIS A1012 -6.371 4.922 3.884 1.00 0.00 N ATOM 1751 CA HIS A1012 -7.655 5.596 3.700 1.00 0.00 C ATOM 1752 C HIS A1012 -8.196 5.427 2.285 1.00 0.00 C ATOM 1753 O HIS A1012 -7.477 5.607 1.302 1.00 0.00 O ATOM 1754 CB HIS A1012 -7.534 7.085 4.029 1.00 0.00 C ATOM 1755 CG HIS A1012 -6.481 7.798 3.240 1.00 0.00 C ATOM 1756 ND1 HIS A1012 -6.656 9.067 2.734 1.00 0.00 N ATOM 1757 CD2 HIS A1012 -5.227 7.424 2.884 1.00 0.00 C ATOM 1758 CE1 HIS A1012 -5.561 9.442 2.101 1.00 0.00 C ATOM 1759 NE2 HIS A1012 -4.677 8.465 2.178 1.00 0.00 N ATOM 0 H HIS A1012 -5.793 4.854 3.046 1.00 0.00 H new ATOM 0 HA HIS A1012 -8.359 5.127 4.387 1.00 0.00 H new ATOM 0 HB2 HIS A1012 -8.496 7.566 3.850 1.00 0.00 H new ATOM 0 HB3 HIS A1012 -7.315 7.196 5.091 1.00 0.00 H new ATOM 0 HD1 HIS A1012 -7.501 9.630 2.833 1.00 0.00 H new ATOM 0 HD2 HIS A1012 -4.750 6.483 3.113 1.00 0.00 H new ATOM 0 HE1 HIS A1012 -5.413 10.389 1.604 1.00 0.00 H new ATOM 1768 N TRP A1013 -9.480 5.084 2.202 1.00 0.00 N ATOM 1769 CA TRP A1013 -10.149 4.892 0.923 1.00 0.00 C ATOM 1770 C TRP A1013 -10.304 6.219 0.186 1.00 0.00 C ATOM 1771 O TRP A1013 -10.403 7.278 0.808 1.00 0.00 O ATOM 1772 CB TRP A1013 -11.521 4.246 1.120 1.00 0.00 C ATOM 1773 CG TRP A1013 -11.472 2.958 1.886 1.00 0.00 C ATOM 1774 CD1 TRP A1013 -11.562 2.804 3.240 1.00 0.00 C ATOM 1775 CD2 TRP A1013 -11.298 1.646 1.342 1.00 0.00 C ATOM 1776 NE1 TRP A1013 -11.474 1.471 3.569 1.00 0.00 N ATOM 1777 CE2 TRP A1013 -11.307 0.741 2.421 1.00 0.00 C ATOM 1778 CE3 TRP A1013 -11.141 1.146 0.047 1.00 0.00 C ATOM 1779 CZ2 TRP A1013 -11.164 -0.631 2.244 1.00 0.00 C ATOM 1780 CZ3 TRP A1013 -10.997 -0.217 -0.127 1.00 0.00 C ATOM 1781 CH2 TRP A1013 -11.010 -1.092 0.966 1.00 0.00 C ATOM 0 H TRP A1013 -10.079 4.933 3.014 1.00 0.00 H new ATOM 0 HA TRP A1013 -9.530 4.227 0.321 1.00 0.00 H new ATOM 0 HB2 TRP A1013 -12.172 4.946 1.644 1.00 0.00 H new ATOM 0 HB3 TRP A1013 -11.971 4.062 0.144 1.00 0.00 H new ATOM 0 HD1 TRP A1013 -11.684 3.610 3.948 1.00 0.00 H new ATOM 0 HE1 TRP A1013 -11.525 1.088 4.513 1.00 0.00 H new ATOM 0 HE3 TRP A1013 -11.132 1.813 -0.803 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 -11.174 -1.308 3.086 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 -10.872 -0.614 -1.123 1.00 0.00 H new ATOM 0 HH2 TRP A1013 -10.896 -2.152 0.796 1.00 0.00 H new ATOM 1792 N SER A1014 -10.322 6.152 -1.138 1.00 0.00 N ATOM 1793 CA SER A1014 -10.464 7.342 -1.968 1.00 0.00 C ATOM 1794 C SER A1014 -11.776 8.069 -1.683 1.00 0.00 C ATOM 1795 O SER A1014 -11.841 9.297 -1.753 1.00 0.00 O ATOM 1796 CB SER A1014 -10.392 6.964 -3.448 1.00 0.00 C ATOM 1797 OG SER A1014 -10.496 8.111 -4.273 1.00 0.00 O ATOM 0 H SER A1014 -10.240 5.282 -1.663 1.00 0.00 H new ATOM 0 HA SER A1014 -9.643 8.017 -1.725 1.00 0.00 H new ATOM 0 HB2 SER A1014 -9.452 6.451 -3.650 1.00 0.00 H new ATOM 0 HB3 SER A1014 -11.194 6.266 -3.688 1.00 0.00 H new ATOM 0 HG SER A1014 -10.446 7.843 -5.214 1.00 0.00 H new ATOM 1803 N THR A1015 -12.825 7.307 -1.376 1.00 0.00 N ATOM 1804 CA THR A1015 -14.134 7.893 -1.101 1.00 0.00 C ATOM 1805 C THR A1015 -14.856 7.162 0.030 1.00 0.00 C ATOM 1806 O THR A1015 -14.672 5.961 0.228 1.00 0.00 O ATOM 1807 CB THR A1015 -15.029 7.878 -2.355 1.00 0.00 C ATOM 1808 OG1 THR A1015 -15.204 6.535 -2.821 1.00 0.00 O ATOM 1809 CG2 THR A1015 -14.426 8.728 -3.463 1.00 0.00 C ATOM 0 H THR A1015 -12.794 6.289 -1.312 1.00 0.00 H new ATOM 0 HA THR A1015 -13.952 8.924 -0.797 1.00 0.00 H new ATOM 0 HB THR A1015 -15.998 8.296 -2.083 1.00 0.00 H new ATOM 0 HG1 THR A1015 -15.646 6.547 -3.695 1.00 0.00 H new ATOM 0 HG21 THR A1015 -15.077 8.701 -4.337 1.00 0.00 H new ATOM 0 HG22 THR A1015 -14.324 9.757 -3.118 1.00 0.00 H new ATOM 0 HG23 THR A1015 -13.444 8.336 -3.729 1.00 0.00 H new ATOM 1817 N LYS A1016 -15.677 7.904 0.771 1.00 0.00 N ATOM 1818 CA LYS A1016 -16.432 7.343 1.888 1.00 0.00 C ATOM 1819 C LYS A1016 -17.308 6.170 1.442 1.00 0.00 C ATOM 1820 O LYS A1016 -17.782 6.133 0.306 1.00 0.00 O ATOM 1821 CB LYS A1016 -17.278 8.434 2.559 1.00 0.00 C ATOM 1822 CG LYS A1016 -18.138 9.240 1.597 1.00 0.00 C ATOM 1823 CD LYS A1016 -19.353 8.459 1.122 1.00 0.00 C ATOM 1824 CE LYS A1016 -20.304 8.149 2.268 1.00 0.00 C ATOM 1825 NZ LYS A1016 -21.503 7.396 1.806 1.00 0.00 N ATOM 0 H LYS A1016 -15.836 8.900 0.616 1.00 0.00 H new ATOM 0 HA LYS A1016 -15.719 6.957 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A1016 -17.924 7.970 3.304 1.00 0.00 H new ATOM 0 HB3 LYS A1016 -16.615 9.115 3.093 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -18.466 10.157 2.086 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -17.538 9.535 0.736 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -19.878 9.032 0.358 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -19.029 7.529 0.656 1.00 0.00 H new ATOM 0 HE2 LYS A1016 -19.781 7.568 3.027 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -20.619 9.080 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -22.347 7.752 2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -21.620 7.525 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -21.380 6.385 2.016 1.00 0.00 H new ATOM 1839 N PRO A1017 -17.515 5.181 2.332 1.00 0.00 N ATOM 1840 CA PRO A1017 -18.321 3.990 2.029 1.00 0.00 C ATOM 1841 C PRO A1017 -19.794 4.313 1.776 1.00 0.00 C ATOM 1842 O PRO A1017 -20.465 4.897 2.627 1.00 0.00 O ATOM 1843 CB PRO A1017 -18.188 3.127 3.291 1.00 0.00 C ATOM 1844 CG PRO A1017 -17.000 3.666 4.011 1.00 0.00 C ATOM 1845 CD PRO A1017 -16.966 5.132 3.696 1.00 0.00 C ATOM 0 HA PRO A1017 -17.974 3.505 1.117 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -19.084 3.191 3.908 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -18.051 2.076 3.036 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -17.083 3.498 5.085 1.00 0.00 H new ATOM 0 HG3 PRO A1017 -16.085 3.173 3.681 1.00 0.00 H new ATOM 0 HD2 PRO A1017 -17.568 5.711 4.396 1.00 0.00 H new ATOM 0 HD3 PRO A1017 -15.953 5.532 3.740 1.00 0.00 H new ATOM 1853 N PRO A1018 -20.317 3.921 0.599 1.00 0.00 N ATOM 1854 CA PRO A1018 -21.721 4.153 0.231 1.00 0.00 C ATOM 1855 C PRO A1018 -22.689 3.399 1.139 1.00 0.00 C ATOM 1856 O PRO A1018 -22.366 2.325 1.648 1.00 0.00 O ATOM 1857 CB PRO A1018 -21.819 3.618 -1.204 1.00 0.00 C ATOM 1858 CG PRO A1018 -20.410 3.512 -1.682 1.00 0.00 C ATOM 1859 CD PRO A1018 -19.587 3.217 -0.464 1.00 0.00 C ATOM 0 HA PRO A1018 -21.991 5.205 0.325 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -22.317 2.649 -1.229 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -22.399 4.291 -1.836 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -20.307 2.721 -2.424 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -20.087 4.438 -2.157 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -19.522 2.147 -0.269 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -18.566 3.585 -0.566 1.00 0.00 H new ATOM 1867 N ILE A1019 -23.875 3.966 1.337 1.00 0.00 N ATOM 1868 CA ILE A1019 -24.889 3.345 2.184 1.00 0.00 C ATOM 1869 C ILE A1019 -25.905 2.581 1.331 1.00 0.00 C ATOM 1870 O ILE A1019 -25.643 2.269 0.170 1.00 0.00 O ATOM 1871 CB ILE A1019 -25.639 4.406 3.018 1.00 0.00 C ATOM 1872 CG1 ILE A1019 -24.712 5.566 3.384 1.00 0.00 C ATOM 1873 CG2 ILE A1019 -26.213 3.785 4.284 1.00 0.00 C ATOM 1874 CD1 ILE A1019 -25.435 6.715 4.050 1.00 0.00 C ATOM 0 H ILE A1019 -24.158 4.854 0.923 1.00 0.00 H new ATOM 0 HA ILE A1019 -24.378 2.655 2.855 1.00 0.00 H new ATOM 0 HB ILE A1019 -26.458 4.791 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -23.930 5.202 4.050 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -24.220 5.928 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -26.738 4.549 4.858 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -26.909 2.990 4.016 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -25.404 3.371 4.885 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -24.723 7.506 4.285 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -26.199 7.103 3.377 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -25.905 6.365 4.969 1.00 0.00 H new ATOM 1886 N CYS A1020 -27.068 2.303 1.915 1.00 0.00 N ATOM 1887 CA CYS A1020 -28.143 1.593 1.228 1.00 0.00 C ATOM 1888 C CYS A1020 -29.461 1.778 1.969 1.00 0.00 C ATOM 1889 O CYS A1020 -29.546 1.543 3.175 1.00 0.00 O ATOM 1890 CB CYS A1020 -27.831 0.098 1.112 1.00 0.00 C ATOM 1891 SG CYS A1020 -26.681 -0.337 -0.233 1.00 0.00 S ATOM 0 H CYS A1020 -27.291 2.563 2.876 1.00 0.00 H new ATOM 0 HA CYS A1020 -28.228 2.012 0.225 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -27.410 -0.246 2.057 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -28.765 -0.444 0.963 1.00 0.00 H new ATOM 1896 N GLN A1021 -30.492 2.191 1.239 1.00 0.00 N ATOM 1897 CA GLN A1021 -31.809 2.397 1.827 1.00 0.00 C ATOM 1898 C GLN A1021 -32.895 2.215 0.775 1.00 0.00 C ATOM 1899 O GLN A1021 -32.808 2.777 -0.315 1.00 0.00 O ATOM 1900 CB GLN A1021 -31.914 3.790 2.458 1.00 0.00 C ATOM 1901 CG GLN A1021 -31.927 4.929 1.454 1.00 0.00 C ATOM 1902 CD GLN A1021 -32.176 6.275 2.107 1.00 0.00 C ATOM 1903 OE1 GLN A1021 -31.209 7.178 1.993 1.00 0.00 O flip ATOM 1904 NE2 GLN A1021 -33.225 6.500 2.710 1.00 0.00 N flip ATOM 0 H GLN A1021 -30.440 2.389 0.240 1.00 0.00 H new ATOM 0 HA GLN A1021 -31.949 1.653 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -32.824 3.838 3.056 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -31.076 3.932 3.140 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -30.973 4.955 0.927 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -32.699 4.742 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -33.942 5.777 2.773 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -33.377 7.409 3.146 1.00 0.00 H new ATOM 1913 N ARG A1022 -33.907 1.419 1.114 1.00 0.00 N ATOM 1914 CA ARG A1022 -35.023 1.129 0.213 1.00 0.00 C ATOM 1915 C ARG A1022 -35.277 2.261 -0.763 1.00 0.00 C ATOM 1916 O ARG A1022 -35.294 3.436 -0.394 1.00 0.00 O ATOM 1917 CB ARG A1022 -36.292 0.851 1.019 1.00 0.00 C ATOM 1918 CG ARG A1022 -37.468 0.387 0.174 1.00 0.00 C ATOM 1919 CD ARG A1022 -37.184 -0.958 -0.476 1.00 0.00 C ATOM 1920 NE ARG A1022 -38.359 -1.515 -1.144 1.00 0.00 N ATOM 1921 CZ ARG A1022 -38.926 -0.976 -2.219 1.00 0.00 C ATOM 1922 NH1 ARG A1022 -38.419 0.120 -2.763 1.00 0.00 N ATOM 1923 NH2 ARG A1022 -39.999 -1.541 -2.756 1.00 0.00 N ATOM 0 H ARG A1022 -33.977 0.957 2.020 1.00 0.00 H new ATOM 0 HA ARG A1022 -34.751 0.246 -0.365 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -36.075 0.092 1.770 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -36.577 1.757 1.554 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -38.359 0.311 0.797 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -37.680 1.128 -0.597 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -36.377 -0.845 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -36.835 -1.658 0.283 1.00 0.00 H new ATOM 0 HE ARG A1022 -38.768 -2.368 -0.763 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -37.590 0.554 -2.357 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -38.858 0.530 -3.588 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -40.389 -2.389 -2.344 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -40.434 -1.128 -3.581 1.00 0.00 H new ATOM 1937 N ILE A1023 -35.467 1.887 -2.019 1.00 0.00 N ATOM 1938 CA ILE A1023 -35.712 2.847 -3.073 1.00 0.00 C ATOM 1939 C ILE A1023 -37.118 3.425 -2.962 1.00 0.00 C ATOM 1940 O ILE A1023 -38.102 2.687 -2.933 1.00 0.00 O ATOM 1941 CB ILE A1023 -35.544 2.194 -4.454 1.00 0.00 C ATOM 1942 CG1 ILE A1023 -34.225 1.421 -4.523 1.00 0.00 C ATOM 1943 CG2 ILE A1023 -35.593 3.258 -5.530 1.00 0.00 C ATOM 1944 CD1 ILE A1023 -34.025 0.676 -5.827 1.00 0.00 C ATOM 0 H ILE A1023 -35.455 0.916 -2.330 1.00 0.00 H new ATOM 0 HA ILE A1023 -34.983 3.650 -2.963 1.00 0.00 H new ATOM 0 HB ILE A1023 -36.359 1.489 -4.616 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -33.398 2.117 -4.382 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -34.187 0.709 -3.698 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -35.474 2.792 -6.508 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -36.552 3.774 -5.488 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -34.788 3.975 -5.369 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -33.070 0.152 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -34.831 -0.045 -5.962 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -34.030 1.385 -6.655 1.00 0.00 H new ATOM 1956 N PRO A1024 -37.234 4.760 -2.892 1.00 0.00 N ATOM 1957 CA PRO A1024 -38.529 5.433 -2.777 1.00 0.00 C ATOM 1958 C PRO A1024 -39.344 5.352 -4.063 1.00 0.00 C ATOM 1959 O PRO A1024 -40.589 5.317 -3.972 1.00 0.00 O ATOM 1960 CB PRO A1024 -38.137 6.880 -2.473 1.00 0.00 C ATOM 1961 CG PRO A1024 -36.808 7.038 -3.119 1.00 0.00 C ATOM 1962 CD PRO A1024 -36.116 5.723 -2.912 1.00 0.00 C ATOM 1963 OXT PRO A1024 -38.731 5.325 -5.150 1.00 0.00 O ATOM 0 HA PRO A1024 -39.165 4.978 -2.018 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -38.864 7.584 -2.879 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -38.083 7.061 -1.400 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -36.910 7.268 -4.180 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -36.245 7.855 -2.668 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -35.411 5.507 -3.715 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -35.552 5.706 -1.980 1.00 0.00 H new