USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-4.5) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 67 SER OG : rot 69:sc= 0.728 USER MOD Set 2.2: A 86 ASN :FLIP amide:sc= -3.2 F(o=-8.1!,f=-2.5) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.852! C(o=0.099!,f=-0.9!) USER MOD Set 3.2: A 21 THR OG1 : rot -70:sc= 0.498 USER MOD Set 3.3: A 31 THR OG1 : rot 180:sc= 0.453 USER MOD Set 4.1: A 7 THR OG1 : rot -62:sc= 1.03 USER MOD Set 4.2: A 93 ASN : amide:sc= -2.13 K(o=-1.1,f=-5.1!) USER MOD Set 5.1: A 3 LYS NZ :NH3+ -155:sc= 0.73 (180deg=0) USER MOD Set 5.2: A 6 GLN :FLIP amide:sc= 0.323 F(o=-3.3,f=1.1) USER MOD Single : A 5 SER OG : rot -160:sc= 0 USER MOD Single : A 9 TYR OH : rot -11:sc= 1.39 USER MOD Single : A 11 SER OG : rot 175:sc= -1.03 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.77! C(o=-3.5!,f=-1.8!) USER MOD Single : A 16 SER OG : rot 41:sc= -0.906! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -0:sc= -0.0914 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc=-0.00622 F(o=-0.87,f=-0.0062) USER MOD Single : A 32 SER OG : rot -72:sc= 0.234 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.44 F(o=-2.5!,f=-1.4) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.014) USER MOD Single : A 50 GLN : amide:sc= -2.55! C(o=-2.5!,f=-3!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.0972 X(o=0.097,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 61 THR OG1 : rot -119:sc= -3.9! USER MOD Single : A 62 GLN : amide:sc= -0.0898 K(o=-0.09,f=-1.5!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 156:sc= 0.482 USER MOD Single : A 79 GLN :FLIP amide:sc=-0.00805 F(o=-1.1,f=-0.0081) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -37:sc= 0.404 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -82:sc= 0.688 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N GLY A 2 -3.728 -1.897 -11.395 1.00 0.00 N ATOM 23 CA GLY A 2 -3.753 -1.010 -10.245 1.00 0.00 C ATOM 24 C GLY A 2 -4.981 -0.119 -10.154 1.00 0.00 C ATOM 25 O GLY A 2 -6.118 -0.585 -10.150 1.00 0.00 O ATOM 0 HA2 GLY A 2 -3.690 -1.612 -9.338 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.865 -0.379 -10.271 1.00 0.00 H new ATOM 29 N LYS A 3 -4.723 1.180 -10.108 1.00 0.00 N ATOM 30 CA LYS A 3 -5.776 2.190 -10.030 1.00 0.00 C ATOM 31 C LYS A 3 -6.972 1.745 -9.175 1.00 0.00 C ATOM 32 O LYS A 3 -8.119 1.934 -9.578 1.00 0.00 O ATOM 33 CB LYS A 3 -6.260 2.547 -11.441 1.00 0.00 C ATOM 34 CG LYS A 3 -5.163 3.301 -12.225 1.00 0.00 C ATOM 35 CD LYS A 3 -4.808 4.651 -11.538 1.00 0.00 C ATOM 36 CE LYS A 3 -4.392 5.715 -12.576 1.00 0.00 C ATOM 37 NZ LYS A 3 -5.598 6.467 -13.021 1.00 0.00 N ATOM 0 H LYS A 3 -3.779 1.566 -10.124 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.340 3.063 -9.544 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.536 1.638 -11.976 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.156 3.164 -11.377 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.270 2.680 -12.295 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.503 3.487 -13.244 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.667 5.010 -10.970 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.997 4.497 -10.826 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.663 6.399 -12.141 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.911 5.238 -13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.432 6.860 -13.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.416 5.825 -13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.789 7.242 -12.354 1.00 0.00 H new ATOM 51 N PHE A 4 -6.719 1.194 -7.984 1.00 0.00 N ATOM 52 CA PHE A 4 -7.828 0.790 -7.113 1.00 0.00 C ATOM 53 C PHE A 4 -8.564 2.035 -6.626 1.00 0.00 C ATOM 54 O PHE A 4 -9.780 2.024 -6.444 1.00 0.00 O ATOM 55 CB PHE A 4 -7.343 -0.040 -5.901 1.00 0.00 C ATOM 56 CG PHE A 4 -6.638 0.832 -4.880 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.394 1.404 -5.197 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.211 1.056 -3.605 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.721 2.202 -4.259 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.532 1.853 -2.657 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.287 2.431 -2.986 1.00 0.00 C ATOM 0 H PHE A 4 -5.786 1.021 -7.609 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.498 0.157 -7.694 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.194 -0.535 -5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.666 -0.823 -6.242 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.954 1.229 -6.167 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.167 0.618 -3.357 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.768 2.642 -4.512 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.965 2.020 -1.682 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.769 3.047 -2.266 1.00 0.00 H new ATOM 71 N SER A 5 -7.800 3.104 -6.423 1.00 0.00 N ATOM 72 CA SER A 5 -8.349 4.372 -5.955 1.00 0.00 C ATOM 73 C SER A 5 -9.530 4.825 -6.815 1.00 0.00 C ATOM 74 O SER A 5 -10.452 5.472 -6.321 1.00 0.00 O ATOM 75 CB SER A 5 -7.243 5.433 -5.970 1.00 0.00 C ATOM 76 OG SER A 5 -7.474 6.368 -4.923 1.00 0.00 O ATOM 0 H SER A 5 -6.792 3.117 -6.577 1.00 0.00 H new ATOM 0 HA SER A 5 -8.720 4.236 -4.939 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.269 4.961 -5.843 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.227 5.944 -6.933 1.00 0.00 H new ATOM 0 HG SER A 5 -6.985 7.197 -5.111 1.00 0.00 H new ATOM 82 N GLN A 6 -9.491 4.495 -8.100 1.00 0.00 N ATOM 83 CA GLN A 6 -10.563 4.893 -9.005 1.00 0.00 C ATOM 84 C GLN A 6 -11.899 4.315 -8.546 1.00 0.00 C ATOM 85 O GLN A 6 -12.945 4.934 -8.740 1.00 0.00 O ATOM 86 CB GLN A 6 -10.255 4.424 -10.439 1.00 0.00 C ATOM 87 CG GLN A 6 -9.176 5.317 -11.073 1.00 0.00 C ATOM 88 CD GLN A 6 -9.095 5.031 -12.575 1.00 0.00 C ATOM 89 OE1 GLN A 6 -7.958 4.662 -13.100 1.00 0.00 O flip ATOM 90 NE2 GLN A 6 -10.077 5.152 -13.279 1.00 0.00 N flip ATOM 0 H GLN A 6 -8.740 3.960 -8.535 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.631 5.981 -8.994 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.917 3.388 -10.425 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.163 4.455 -11.042 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.413 6.367 -10.904 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.211 5.128 -10.603 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.966 5.440 -12.870 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.013 4.965 -14.280 1.00 0.00 H new ATOM 99 N THR A 7 -11.862 3.125 -7.944 1.00 0.00 N ATOM 100 CA THR A 7 -13.083 2.465 -7.465 1.00 0.00 C ATOM 101 C THR A 7 -12.961 2.110 -5.984 1.00 0.00 C ATOM 102 O THR A 7 -13.633 1.201 -5.497 1.00 0.00 O ATOM 103 CB THR A 7 -13.361 1.182 -8.273 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.363 0.413 -7.622 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.081 0.358 -8.390 1.00 0.00 C ATOM 0 H THR A 7 -11.005 2.598 -7.776 1.00 0.00 H new ATOM 0 HA THR A 7 -13.911 3.161 -7.600 1.00 0.00 H new ATOM 0 HB THR A 7 -13.706 1.456 -9.270 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.041 0.137 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.282 -0.548 -8.962 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.316 0.945 -8.898 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.730 0.088 -7.394 1.00 0.00 H new ATOM 113 N CYS A 8 -12.112 2.851 -5.262 1.00 0.00 N ATOM 114 CA CYS A 8 -11.920 2.626 -3.825 1.00 0.00 C ATOM 115 C CYS A 8 -11.942 3.955 -3.080 1.00 0.00 C ATOM 116 O CYS A 8 -11.428 4.962 -3.566 1.00 0.00 O ATOM 117 CB CYS A 8 -10.596 1.900 -3.564 1.00 0.00 C ATOM 118 SG CYS A 8 -10.756 0.172 -4.073 1.00 0.00 S ATOM 0 H CYS A 8 -11.549 3.609 -5.648 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.735 2.000 -3.462 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.789 2.381 -4.116 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.338 1.958 -2.507 1.00 0.00 H new ATOM 123 N TYR A 9 -12.553 3.950 -1.894 1.00 0.00 N ATOM 124 CA TYR A 9 -12.658 5.158 -1.072 1.00 0.00 C ATOM 125 C TYR A 9 -12.512 4.811 0.407 1.00 0.00 C ATOM 126 O TYR A 9 -12.597 3.644 0.790 1.00 0.00 O ATOM 127 CB TYR A 9 -14.010 5.837 -1.314 1.00 0.00 C ATOM 128 CG TYR A 9 -15.135 4.893 -0.953 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.662 4.014 -1.924 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.662 4.894 0.354 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.716 3.137 -1.585 1.00 0.00 C ATOM 132 CE2 TYR A 9 -16.716 4.018 0.694 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.243 3.139 -0.275 1.00 0.00 C ATOM 134 OH TYR A 9 -18.317 2.332 0.037 1.00 0.00 O ATOM 0 H TYR A 9 -12.983 3.123 -1.481 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.856 5.841 -1.352 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.082 6.746 -0.717 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.095 6.134 -2.359 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.259 4.012 -2.926 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.259 5.566 1.097 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.119 2.465 -2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.119 4.021 1.696 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.700 1.964 -0.787 1.00 0.00 H new ATOM 144 N ASN A 10 -12.265 5.833 1.225 1.00 0.00 N ATOM 145 CA ASN A 10 -12.081 5.638 2.661 1.00 0.00 C ATOM 146 C ASN A 10 -10.913 4.693 2.911 1.00 0.00 C ATOM 147 O ASN A 10 -11.005 3.766 3.717 1.00 0.00 O ATOM 148 CB ASN A 10 -13.359 5.082 3.301 1.00 0.00 C ATOM 149 CG ASN A 10 -13.144 4.895 4.803 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.402 5.634 5.420 1.00 0.00 O ATOM 151 ND2 ASN A 10 -13.769 3.931 5.423 1.00 0.00 N ATOM 0 H ASN A 10 -12.188 6.803 0.918 1.00 0.00 H new ATOM 0 HA ASN A 10 -11.862 6.603 3.117 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.191 5.763 3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.623 4.130 2.840 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.635 3.798 6.425 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.392 3.311 4.905 1.00 0.00 H new ATOM 158 N SER A 11 -9.811 4.942 2.206 1.00 0.00 N ATOM 159 CA SER A 11 -8.613 4.119 2.343 1.00 0.00 C ATOM 160 C SER A 11 -7.814 4.541 3.573 1.00 0.00 C ATOM 161 O SER A 11 -7.869 5.696 3.997 1.00 0.00 O ATOM 162 CB SER A 11 -7.750 4.239 1.072 1.00 0.00 C ATOM 163 OG SER A 11 -7.837 5.564 0.572 1.00 0.00 O ATOM 0 H SER A 11 -9.724 5.706 1.536 1.00 0.00 H new ATOM 0 HA SER A 11 -8.911 3.078 2.471 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.713 3.990 1.297 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.091 3.530 0.318 1.00 0.00 H new ATOM 0 HG SER A 11 -7.231 5.666 -0.192 1.00 0.00 H new ATOM 169 N ALA A 12 -7.070 3.595 4.135 1.00 0.00 N ATOM 170 CA ALA A 12 -6.254 3.867 5.313 1.00 0.00 C ATOM 171 C ALA A 12 -5.156 2.823 5.439 1.00 0.00 C ATOM 172 O ALA A 12 -5.307 1.689 4.989 1.00 0.00 O ATOM 173 CB ALA A 12 -7.121 3.863 6.561 1.00 0.00 C ATOM 0 H ALA A 12 -7.015 2.635 3.795 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.796 4.850 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.502 4.067 7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.889 4.631 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.595 2.888 6.672 1.00 0.00 H new ATOM 179 N ILE A 13 -4.048 3.219 6.058 1.00 0.00 N ATOM 180 CA ILE A 13 -2.905 2.319 6.247 1.00 0.00 C ATOM 181 C ILE A 13 -2.344 2.470 7.658 1.00 0.00 C ATOM 182 O ILE A 13 -2.268 3.576 8.192 1.00 0.00 O ATOM 183 CB ILE A 13 -1.800 2.622 5.196 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.251 2.118 3.789 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.483 1.934 5.598 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.763 3.053 2.651 1.00 0.00 C ATOM 0 H ILE A 13 -3.913 4.156 6.439 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.244 1.292 6.111 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.639 3.699 5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.864 1.113 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.338 2.049 3.760 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.284 2.153 4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.161 2.305 6.571 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.637 0.856 5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.100 2.663 1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.172 4.052 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.674 3.101 2.661 1.00 0.00 H new ATOM 198 N GLN A 14 -1.953 1.342 8.257 1.00 0.00 N ATOM 199 CA GLN A 14 -1.404 1.352 9.612 1.00 0.00 C ATOM 200 C GLN A 14 -0.424 0.194 9.815 1.00 0.00 C ATOM 201 O GLN A 14 -0.818 -0.929 10.131 1.00 0.00 O ATOM 202 CB GLN A 14 -2.554 1.265 10.638 1.00 0.00 C ATOM 203 CG GLN A 14 -2.165 1.959 11.956 1.00 0.00 C ATOM 204 CD GLN A 14 -0.781 1.488 12.416 1.00 0.00 C ATOM 205 OE1 GLN A 14 0.283 2.066 11.931 1.00 0.00 O flip ATOM 206 NE2 GLN A 14 -0.670 0.589 13.226 1.00 0.00 N flip ATOM 0 H GLN A 14 -2.006 0.418 7.828 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.858 2.284 9.759 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.450 1.731 10.227 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.798 0.220 10.830 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.162 3.040 11.818 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.906 1.738 12.724 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.503 0.138 13.605 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.256 0.286 13.527 1.00 0.00 H new ATOM 215 N GLY A 15 0.854 0.491 9.618 1.00 0.00 N ATOM 216 CA GLY A 15 1.914 -0.501 9.769 1.00 0.00 C ATOM 217 C GLY A 15 2.348 -1.071 8.436 1.00 0.00 C ATOM 218 O GLY A 15 3.359 -0.664 7.890 1.00 0.00 O ATOM 0 H GLY A 15 1.185 1.418 9.351 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.771 -0.044 10.265 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.566 -1.309 10.413 1.00 0.00 H new ATOM 222 N SER A 16 1.579 -2.018 7.908 1.00 0.00 N ATOM 223 CA SER A 16 1.908 -2.637 6.622 1.00 0.00 C ATOM 224 C SER A 16 0.643 -3.206 5.984 1.00 0.00 C ATOM 225 O SER A 16 0.696 -4.065 5.105 1.00 0.00 O ATOM 226 CB SER A 16 2.965 -3.734 6.833 1.00 0.00 C ATOM 227 OG SER A 16 3.941 -3.637 5.808 1.00 0.00 O ATOM 0 H SER A 16 0.729 -2.374 8.345 1.00 0.00 H new ATOM 0 HA SER A 16 2.321 -1.888 5.947 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.433 -3.623 7.811 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.496 -4.718 6.815 1.00 0.00 H new ATOM 0 HG SER A 16 4.142 -2.693 5.636 1.00 0.00 H new ATOM 233 N VAL A 17 -0.491 -2.710 6.465 1.00 0.00 N ATOM 234 CA VAL A 17 -1.801 -3.148 5.979 1.00 0.00 C ATOM 235 C VAL A 17 -2.571 -1.996 5.356 1.00 0.00 C ATOM 236 O VAL A 17 -2.775 -0.963 5.982 1.00 0.00 O ATOM 237 CB VAL A 17 -2.639 -3.751 7.128 1.00 0.00 C ATOM 238 CG1 VAL A 17 -3.003 -2.665 8.154 1.00 0.00 C ATOM 239 CG2 VAL A 17 -3.919 -4.370 6.551 1.00 0.00 C ATOM 0 H VAL A 17 -0.533 -2.000 7.196 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.624 -3.909 5.219 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.053 -4.520 7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.593 -3.106 8.957 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.091 -2.235 8.568 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.583 -1.882 7.665 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.513 -4.797 7.359 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.498 -3.600 6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.656 -5.154 5.841 1.00 0.00 H new ATOM 249 N LEU A 18 -3.043 -2.211 4.130 1.00 0.00 N ATOM 250 CA LEU A 18 -3.854 -1.220 3.427 1.00 0.00 C ATOM 251 C LEU A 18 -5.295 -1.642 3.632 1.00 0.00 C ATOM 252 O LEU A 18 -5.605 -2.810 3.459 1.00 0.00 O ATOM 253 CB LEU A 18 -3.488 -1.213 1.921 1.00 0.00 C ATOM 254 CG LEU A 18 -3.788 0.151 1.258 1.00 0.00 C ATOM 255 CD1 LEU A 18 -3.657 0.007 -0.267 1.00 0.00 C ATOM 256 CD2 LEU A 18 -5.212 0.623 1.605 1.00 0.00 C ATOM 0 H LEU A 18 -2.877 -3.067 3.601 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.685 -0.211 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.430 -1.448 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.047 -1.996 1.408 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.077 0.888 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.867 0.965 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.644 -0.308 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.367 -0.739 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.403 1.585 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.935 -0.109 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.307 0.728 2.686 1.00 0.00 H new ATOM 268 N THR A 19 -6.177 -0.717 3.986 1.00 0.00 N ATOM 269 CA THR A 19 -7.586 -1.043 4.196 1.00 0.00 C ATOM 270 C THR A 19 -8.415 0.015 3.499 1.00 0.00 C ATOM 271 O THR A 19 -8.170 1.207 3.677 1.00 0.00 O ATOM 272 CB THR A 19 -7.935 -1.032 5.698 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.058 -1.905 6.396 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.380 -1.491 5.895 1.00 0.00 C ATOM 0 H THR A 19 -5.945 0.265 4.134 1.00 0.00 H new ATOM 0 HA THR A 19 -7.790 -2.038 3.800 1.00 0.00 H new ATOM 0 HB THR A 19 -7.824 -0.020 6.087 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.279 -1.896 7.351 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.623 -1.482 6.958 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.052 -0.817 5.363 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.497 -2.502 5.505 1.00 0.00 H new ATOM 282 N SER A 20 -9.383 -0.404 2.693 1.00 0.00 N ATOM 283 CA SER A 20 -10.207 0.559 1.974 1.00 0.00 C ATOM 284 C SER A 20 -11.518 -0.051 1.519 1.00 0.00 C ATOM 285 O SER A 20 -11.580 -1.214 1.120 1.00 0.00 O ATOM 286 CB SER A 20 -9.446 1.082 0.750 1.00 0.00 C ATOM 287 OG SER A 20 -10.084 2.256 0.269 1.00 0.00 O ATOM 0 H SER A 20 -9.614 -1.383 2.523 1.00 0.00 H new ATOM 0 HA SER A 20 -10.430 1.377 2.659 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.411 1.299 1.016 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.422 0.321 -0.030 1.00 0.00 H new ATOM 0 HG SER A 20 -10.865 2.455 0.826 1.00 0.00 H new ATOM 293 N THR A 21 -12.559 0.772 1.556 1.00 0.00 N ATOM 294 CA THR A 21 -13.880 0.358 1.119 1.00 0.00 C ATOM 295 C THR A 21 -13.976 0.555 -0.383 1.00 0.00 C ATOM 296 O THR A 21 -13.747 1.652 -0.885 1.00 0.00 O ATOM 297 CB THR A 21 -14.971 1.186 1.820 1.00 0.00 C ATOM 298 OG1 THR A 21 -14.725 1.188 3.220 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.342 0.571 1.543 1.00 0.00 C ATOM 0 H THR A 21 -12.509 1.736 1.887 1.00 0.00 H new ATOM 0 HA THR A 21 -14.031 -0.691 1.375 1.00 0.00 H new ATOM 0 HB THR A 21 -14.955 2.208 1.441 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.907 0.297 3.585 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.112 1.160 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.528 0.565 0.469 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.365 -0.451 1.921 1.00 0.00 H new ATOM 307 N CYS A 22 -14.317 -0.513 -1.100 1.00 0.00 N ATOM 308 CA CYS A 22 -14.437 -0.456 -2.558 1.00 0.00 C ATOM 309 C CYS A 22 -15.773 -1.032 -2.995 1.00 0.00 C ATOM 310 O CYS A 22 -16.399 -1.799 -2.264 1.00 0.00 O ATOM 311 CB CYS A 22 -13.290 -1.244 -3.200 1.00 0.00 C ATOM 312 SG CYS A 22 -11.706 -0.695 -2.517 1.00 0.00 S ATOM 0 H CYS A 22 -14.515 -1.429 -0.697 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.382 0.584 -2.881 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.424 -2.310 -3.019 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.299 -1.101 -4.281 1.00 0.00 H new ATOM 317 N GLU A 23 -16.217 -0.636 -4.184 1.00 0.00 N ATOM 318 CA GLU A 23 -17.499 -1.098 -4.710 1.00 0.00 C ATOM 319 C GLU A 23 -17.376 -2.481 -5.342 1.00 0.00 C ATOM 320 O GLU A 23 -16.647 -2.664 -6.317 1.00 0.00 O ATOM 321 CB GLU A 23 -18.020 -0.104 -5.758 1.00 0.00 C ATOM 322 CG GLU A 23 -17.827 1.336 -5.254 1.00 0.00 C ATOM 323 CD GLU A 23 -18.730 2.289 -6.047 1.00 0.00 C ATOM 324 OE1 GLU A 23 -18.376 2.614 -7.168 1.00 0.00 O ATOM 325 OE2 GLU A 23 -19.762 2.674 -5.520 1.00 0.00 O ATOM 0 H GLU A 23 -15.711 0.001 -4.800 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.199 -1.163 -3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.489 -0.243 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.075 -0.291 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.065 1.394 -4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.784 1.633 -5.364 1.00 0.00 H new ATOM 332 N ARG A 24 -18.112 -3.445 -4.795 1.00 0.00 N ATOM 333 CA ARG A 24 -18.094 -4.800 -5.334 1.00 0.00 C ATOM 334 C ARG A 24 -18.557 -4.791 -6.779 1.00 0.00 C ATOM 335 O ARG A 24 -19.102 -3.799 -7.262 1.00 0.00 O ATOM 336 CB ARG A 24 -19.026 -5.724 -4.538 1.00 0.00 C ATOM 337 CG ARG A 24 -18.588 -5.820 -3.055 1.00 0.00 C ATOM 338 CD ARG A 24 -18.978 -7.193 -2.453 1.00 0.00 C ATOM 339 NE ARG A 24 -17.805 -8.111 -2.560 1.00 0.00 N ATOM 340 CZ ARG A 24 -17.967 -9.403 -2.461 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.148 -9.895 -2.208 1.00 0.00 N ATOM 342 NH2 ARG A 24 -16.945 -10.201 -2.618 1.00 0.00 N ATOM 0 H ARG A 24 -18.722 -3.315 -3.988 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.071 -5.169 -5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.048 -5.350 -4.594 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.025 -6.718 -4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.510 -5.678 -2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.056 -5.020 -2.481 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.275 -7.078 -1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -19.834 -7.609 -2.984 1.00 0.00 H new ATOM 0 HE ARG A 24 -16.872 -7.727 -2.711 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -19.945 -9.271 -2.087 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.274 -10.904 -2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.022 -9.815 -2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.070 -11.210 -2.541 1.00 0.00 H new ATOM 356 N THR A 25 -18.356 -5.914 -7.463 1.00 0.00 N ATOM 357 CA THR A 25 -18.775 -6.053 -8.854 1.00 0.00 C ATOM 358 C THR A 25 -20.110 -6.787 -8.907 1.00 0.00 C ATOM 359 O THR A 25 -20.914 -6.580 -9.816 1.00 0.00 O ATOM 360 CB THR A 25 -17.730 -6.853 -9.654 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.475 -6.193 -9.575 1.00 0.00 O ATOM 362 CG2 THR A 25 -18.162 -6.950 -11.116 1.00 0.00 C ATOM 0 H THR A 25 -17.905 -6.742 -7.075 1.00 0.00 H new ATOM 0 HA THR A 25 -18.874 -5.060 -9.292 1.00 0.00 H new ATOM 0 HB THR A 25 -17.645 -7.857 -9.238 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.806 -6.700 -10.081 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.420 -7.517 -11.678 1.00 0.00 H new ATOM 0 HG22 THR A 25 -19.126 -7.454 -11.178 1.00 0.00 H new ATOM 0 HG23 THR A 25 -18.249 -5.948 -11.537 1.00 0.00 H new ATOM 370 N ASN A 26 -20.342 -7.640 -7.906 1.00 0.00 N ATOM 371 CA ASN A 26 -21.587 -8.410 -7.806 1.00 0.00 C ATOM 372 C ASN A 26 -22.485 -7.785 -6.735 1.00 0.00 C ATOM 373 O ASN A 26 -23.605 -7.360 -7.016 1.00 0.00 O ATOM 374 CB ASN A 26 -21.254 -9.873 -7.444 1.00 0.00 C ATOM 375 CG ASN A 26 -22.376 -10.809 -7.909 1.00 0.00 C ATOM 376 OD1 ASN A 26 -23.455 -10.810 -7.352 1.00 0.00 O ATOM 377 ND2 ASN A 26 -22.159 -11.613 -8.915 1.00 0.00 N ATOM 0 H ASN A 26 -19.681 -7.816 -7.149 1.00 0.00 H new ATOM 0 HA ASN A 26 -22.113 -8.394 -8.760 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -20.313 -10.164 -7.910 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -21.118 -9.966 -6.366 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -22.896 -12.242 -9.233 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -21.252 -11.612 -9.383 1.00 0.00 H new ATOM 384 N GLY A 27 -21.977 -7.741 -5.507 1.00 0.00 N ATOM 385 CA GLY A 27 -22.721 -7.168 -4.393 1.00 0.00 C ATOM 386 C GLY A 27 -22.648 -5.649 -4.386 1.00 0.00 C ATOM 387 O GLY A 27 -22.617 -5.015 -5.439 1.00 0.00 O ATOM 0 H GLY A 27 -21.053 -8.096 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.763 -7.481 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.325 -7.555 -3.454 1.00 0.00 H new ATOM 391 N GLY A 28 -22.647 -5.065 -3.186 1.00 0.00 N ATOM 392 CA GLY A 28 -22.593 -3.610 -3.030 1.00 0.00 C ATOM 393 C GLY A 28 -21.196 -3.121 -2.696 1.00 0.00 C ATOM 394 O GLY A 28 -20.380 -2.896 -3.588 1.00 0.00 O ATOM 0 H GLY A 28 -22.683 -5.579 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -22.932 -3.135 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.281 -3.305 -2.242 1.00 0.00 H new ATOM 398 N TYR A 29 -20.925 -2.939 -1.399 1.00 0.00 N ATOM 399 CA TYR A 29 -19.616 -2.462 -0.934 1.00 0.00 C ATOM 400 C TYR A 29 -18.867 -3.582 -0.212 1.00 0.00 C ATOM 401 O TYR A 29 -19.474 -4.550 0.246 1.00 0.00 O ATOM 402 CB TYR A 29 -19.807 -1.284 0.026 1.00 0.00 C ATOM 403 CG TYR A 29 -20.533 -0.154 -0.679 1.00 0.00 C ATOM 404 CD1 TYR A 29 -19.915 0.509 -1.762 1.00 0.00 C ATOM 405 CD2 TYR A 29 -21.823 0.245 -0.254 1.00 0.00 C ATOM 406 CE1 TYR A 29 -20.583 1.566 -2.418 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.488 1.303 -0.912 1.00 0.00 C ATOM 408 CZ TYR A 29 -21.867 1.963 -1.995 1.00 0.00 C ATOM 409 OH TYR A 29 -22.474 3.059 -2.573 1.00 0.00 O ATOM 0 H TYR A 29 -21.595 -3.115 -0.651 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.035 -2.143 -1.799 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.376 -1.604 0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -18.839 -0.937 0.386 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -18.931 0.207 -2.089 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.299 -0.260 0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.108 2.071 -3.246 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.472 1.607 -0.587 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.356 3.196 -2.168 1.00 0.00 H new ATOM 419 N ASN A 30 -17.544 -3.442 -0.113 1.00 0.00 N ATOM 420 CA ASN A 30 -16.713 -4.448 0.555 1.00 0.00 C ATOM 421 C ASN A 30 -15.424 -3.818 1.074 1.00 0.00 C ATOM 422 O ASN A 30 -14.626 -3.287 0.301 1.00 0.00 O ATOM 423 CB ASN A 30 -16.374 -5.573 -0.428 1.00 0.00 C ATOM 424 CG ASN A 30 -15.373 -6.548 0.198 1.00 0.00 C ATOM 425 OD1 ASN A 30 -14.102 -6.405 -0.054 1.00 0.00 O flip ATOM 426 ND2 ASN A 30 -15.751 -7.451 0.918 1.00 0.00 N flip ATOM 0 H ASN A 30 -17.026 -2.646 -0.485 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.270 -4.855 1.399 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.283 -6.106 -0.708 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.957 -5.152 -1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.745 -7.563 1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.074 -8.096 1.325 1.00 0.00 H new ATOM 433 N THR A 31 -15.222 -3.893 2.390 1.00 0.00 N ATOM 434 CA THR A 31 -14.019 -3.341 3.018 1.00 0.00 C ATOM 435 C THR A 31 -13.025 -4.446 3.326 1.00 0.00 C ATOM 436 O THR A 31 -13.120 -5.120 4.350 1.00 0.00 O ATOM 437 CB THR A 31 -14.364 -2.606 4.326 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.346 -1.614 4.061 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.105 -1.942 4.886 1.00 0.00 C ATOM 0 H THR A 31 -15.874 -4.330 3.042 1.00 0.00 H new ATOM 0 HA THR A 31 -13.579 -2.634 2.315 1.00 0.00 H new ATOM 0 HB THR A 31 -14.751 -3.318 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.569 -1.145 4.892 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.349 -1.422 5.812 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.350 -2.703 5.086 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.717 -1.228 4.160 1.00 0.00 H new ATOM 447 N SER A 32 -12.063 -4.620 2.423 1.00 0.00 N ATOM 448 CA SER A 32 -11.027 -5.639 2.579 1.00 0.00 C ATOM 449 C SER A 32 -9.707 -4.985 2.942 1.00 0.00 C ATOM 450 O SER A 32 -9.621 -3.763 3.070 1.00 0.00 O ATOM 451 CB SER A 32 -10.853 -6.404 1.270 1.00 0.00 C ATOM 452 OG SER A 32 -10.448 -5.497 0.254 1.00 0.00 O ATOM 0 H SER A 32 -11.979 -4.065 1.571 1.00 0.00 H new ATOM 0 HA SER A 32 -11.328 -6.324 3.372 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.109 -7.191 1.390 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.788 -6.889 0.990 1.00 0.00 H new ATOM 0 HG SER A 32 -11.204 -4.924 0.007 1.00 0.00 H new ATOM 458 N SER A 33 -8.672 -5.804 3.089 1.00 0.00 N ATOM 459 CA SER A 33 -7.345 -5.298 3.420 1.00 0.00 C ATOM 460 C SER A 33 -6.277 -6.171 2.777 1.00 0.00 C ATOM 461 O SER A 33 -6.483 -7.366 2.570 1.00 0.00 O ATOM 462 CB SER A 33 -7.153 -5.266 4.939 1.00 0.00 C ATOM 463 OG SER A 33 -7.546 -6.516 5.489 1.00 0.00 O ATOM 0 H SER A 33 -8.725 -6.817 2.985 1.00 0.00 H new ATOM 0 HA SER A 33 -7.252 -4.283 3.034 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.110 -5.061 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.745 -4.462 5.375 1.00 0.00 H new ATOM 0 HG SER A 33 -7.423 -6.499 6.461 1.00 0.00 H new ATOM 469 N ILE A 34 -5.134 -5.567 2.454 1.00 0.00 N ATOM 470 CA ILE A 34 -4.034 -6.298 1.821 1.00 0.00 C ATOM 471 C ILE A 34 -2.700 -5.854 2.413 1.00 0.00 C ATOM 472 O ILE A 34 -2.392 -4.663 2.462 1.00 0.00 O ATOM 473 CB ILE A 34 -4.033 -6.057 0.288 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.817 -6.728 -0.379 1.00 0.00 C ATOM 475 CG2 ILE A 34 -3.999 -4.556 -0.004 1.00 0.00 C ATOM 476 CD1 ILE A 34 -2.793 -8.233 -0.066 1.00 0.00 C ATOM 0 H ILE A 34 -4.945 -4.578 2.619 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.174 -7.362 2.010 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.943 -6.495 -0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.856 -6.576 -1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.897 -6.262 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.998 -4.395 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.877 -4.080 0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.098 -4.122 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.927 -8.691 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.730 -8.379 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.704 -8.698 -0.443 1.00 0.00 H new ATOM 488 N ASP A 35 -1.914 -6.824 2.865 1.00 0.00 N ATOM 489 CA ASP A 35 -0.616 -6.526 3.450 1.00 0.00 C ATOM 490 C ASP A 35 0.345 -6.066 2.362 1.00 0.00 C ATOM 491 O ASP A 35 0.633 -6.810 1.424 1.00 0.00 O ATOM 492 CB ASP A 35 -0.061 -7.771 4.161 1.00 0.00 C ATOM 493 CG ASP A 35 1.031 -7.367 5.159 1.00 0.00 C ATOM 494 OD1 ASP A 35 1.646 -6.335 4.951 1.00 0.00 O ATOM 495 OD2 ASP A 35 1.229 -8.097 6.117 1.00 0.00 O ATOM 0 H ASP A 35 -2.152 -7.816 2.837 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.728 -5.727 4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.865 -8.291 4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.346 -8.467 3.427 1.00 0.00 H new ATOM 500 N LEU A 36 0.856 -4.848 2.498 1.00 0.00 N ATOM 501 CA LEU A 36 1.799 -4.320 1.523 1.00 0.00 C ATOM 502 C LEU A 36 3.161 -4.942 1.762 1.00 0.00 C ATOM 503 O LEU A 36 4.103 -4.725 1.000 1.00 0.00 O ATOM 504 CB LEU A 36 1.914 -2.799 1.663 1.00 0.00 C ATOM 505 CG LEU A 36 0.544 -2.130 1.484 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.662 -0.648 1.861 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.072 -2.252 0.022 1.00 0.00 C ATOM 0 H LEU A 36 0.635 -4.214 3.266 1.00 0.00 H new ATOM 0 HA LEU A 36 1.444 -4.560 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.320 -2.549 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.612 -2.413 0.920 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.184 -2.625 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.306 -0.163 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.981 -0.561 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.395 -0.165 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.901 -1.773 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.793 -1.765 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.010 -3.305 -0.247 1.00 0.00 H new ATOM 519 N ASN A 37 3.252 -5.723 2.832 1.00 0.00 N ATOM 520 CA ASN A 37 4.499 -6.378 3.186 1.00 0.00 C ATOM 521 C ASN A 37 4.844 -7.482 2.205 1.00 0.00 C ATOM 522 O ASN A 37 6.002 -7.874 2.098 1.00 0.00 O ATOM 523 CB ASN A 37 4.422 -6.958 4.599 1.00 0.00 C ATOM 524 CG ASN A 37 5.740 -7.669 4.929 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.753 -6.974 5.367 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.848 -8.869 4.776 1.00 0.00 N flip ATOM 0 H ASN A 37 2.477 -5.916 3.467 1.00 0.00 H new ATOM 0 HA ASN A 37 5.284 -5.622 3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.234 -6.163 5.321 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.590 -7.658 4.672 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.056 -9.413 4.433 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.731 -9.333 4.990 1.00 0.00 H new ATOM 533 N SER A 38 3.850 -8.008 1.499 1.00 0.00 N ATOM 534 CA SER A 38 4.096 -9.086 0.549 1.00 0.00 C ATOM 535 C SER A 38 4.395 -8.540 -0.841 1.00 0.00 C ATOM 536 O SER A 38 4.539 -9.310 -1.789 1.00 0.00 O ATOM 537 CB SER A 38 2.860 -9.984 0.474 1.00 0.00 C ATOM 538 OG SER A 38 2.673 -10.634 1.724 1.00 0.00 O ATOM 0 H SER A 38 2.877 -7.710 1.565 1.00 0.00 H new ATOM 0 HA SER A 38 4.961 -9.653 0.893 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.980 -9.391 0.225 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.981 -10.723 -0.318 1.00 0.00 H new ATOM 0 HG SER A 38 1.880 -11.209 1.679 1.00 0.00 H new ATOM 544 N VAL A 39 4.470 -7.211 -0.979 1.00 0.00 N ATOM 545 CA VAL A 39 4.731 -6.605 -2.293 1.00 0.00 C ATOM 546 C VAL A 39 5.573 -5.326 -2.182 1.00 0.00 C ATOM 547 O VAL A 39 5.747 -4.616 -3.169 1.00 0.00 O ATOM 548 CB VAL A 39 3.403 -6.277 -3.015 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.714 -7.575 -3.445 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.470 -5.511 -2.075 1.00 0.00 C ATOM 0 H VAL A 39 4.357 -6.545 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 39 5.295 -7.337 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 39 3.623 -5.666 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.779 -7.339 -3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.366 -8.126 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.506 -8.185 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.538 -5.285 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.259 -6.120 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.948 -4.582 -1.766 1.00 0.00 H new ATOM 560 N ILE A 40 6.112 -5.051 -0.988 1.00 0.00 N ATOM 561 CA ILE A 40 6.962 -3.859 -0.773 1.00 0.00 C ATOM 562 C ILE A 40 8.261 -4.255 -0.046 1.00 0.00 C ATOM 563 O ILE A 40 8.233 -5.045 0.891 1.00 0.00 O ATOM 564 CB ILE A 40 6.249 -2.787 0.090 1.00 0.00 C ATOM 565 CG1 ILE A 40 4.973 -2.236 -0.589 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.226 -1.638 0.401 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.260 -1.576 -1.942 1.00 0.00 C ATOM 0 H ILE A 40 5.980 -5.629 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 40 7.175 -3.445 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 40 5.934 -3.267 1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.261 -3.050 -0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.500 -1.510 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.722 -0.886 1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.085 -2.028 0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.564 -1.185 -0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.329 -1.208 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.949 -0.743 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.707 -2.307 -2.616 1.00 0.00 H new ATOM 579 N ALA A 41 9.396 -3.680 -0.478 1.00 0.00 N ATOM 580 CA ALA A 41 10.710 -3.965 0.142 1.00 0.00 C ATOM 581 C ALA A 41 11.428 -2.663 0.521 1.00 0.00 C ATOM 582 O ALA A 41 11.283 -1.645 -0.154 1.00 0.00 O ATOM 583 CB ALA A 41 11.580 -4.759 -0.834 1.00 0.00 C ATOM 0 H ALA A 41 9.435 -3.016 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 41 10.543 -4.549 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.546 -4.967 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.086 -5.699 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.729 -4.178 -1.744 1.00 0.00 H new ATOM 589 N ALA A 42 12.208 -2.707 1.611 1.00 0.00 N ATOM 590 CA ALA A 42 12.963 -1.532 2.078 1.00 0.00 C ATOM 591 C ALA A 42 14.448 -1.693 1.773 1.00 0.00 C ATOM 592 O ALA A 42 15.107 -2.579 2.317 1.00 0.00 O ATOM 593 CB ALA A 42 12.794 -1.355 3.582 1.00 0.00 C ATOM 0 H ALA A 42 12.333 -3.541 2.185 1.00 0.00 H new ATOM 0 HA ALA A 42 12.574 -0.658 1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.358 -0.482 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.739 -1.214 3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.164 -2.242 4.097 1.00 0.00 H new ATOM 599 N VAL A 43 14.973 -0.832 0.898 1.00 0.00 N ATOM 600 CA VAL A 43 16.393 -0.882 0.521 1.00 0.00 C ATOM 601 C VAL A 43 17.037 0.494 0.651 1.00 0.00 C ATOM 602 O VAL A 43 16.841 1.368 -0.193 1.00 0.00 O ATOM 603 CB VAL A 43 16.557 -1.358 -0.932 1.00 0.00 C ATOM 604 CG1 VAL A 43 18.044 -1.510 -1.257 1.00 0.00 C ATOM 605 CG2 VAL A 43 15.860 -2.710 -1.103 1.00 0.00 C ATOM 0 H VAL A 43 14.441 -0.094 0.437 1.00 0.00 H new ATOM 0 HA VAL A 43 16.882 -1.584 1.196 1.00 0.00 H new ATOM 0 HB VAL A 43 16.111 -0.627 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.159 -1.847 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.544 -0.549 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.491 -2.242 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 43 15.974 -3.051 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.309 -3.439 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.800 -2.605 -0.871 1.00 0.00 H new ATOM 615 N ASP A 44 17.811 0.674 1.714 1.00 0.00 N ATOM 616 CA ASP A 44 18.494 1.938 1.953 1.00 0.00 C ATOM 617 C ASP A 44 17.494 3.072 2.151 1.00 0.00 C ATOM 618 O ASP A 44 17.789 4.229 1.855 1.00 0.00 O ATOM 619 CB ASP A 44 19.429 2.263 0.778 1.00 0.00 C ATOM 620 CG ASP A 44 20.486 3.285 1.215 1.00 0.00 C ATOM 621 OD1 ASP A 44 20.172 4.114 2.055 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.593 3.218 0.706 1.00 0.00 O ATOM 0 H ASP A 44 17.981 -0.039 2.423 1.00 0.00 H new ATOM 0 HA ASP A 44 19.083 1.838 2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.915 1.353 0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 44 18.852 2.659 -0.058 1.00 0.00 H new ATOM 627 N GLY A 45 16.311 2.741 2.660 1.00 0.00 N ATOM 628 CA GLY A 45 15.289 3.744 2.899 1.00 0.00 C ATOM 629 C GLY A 45 14.473 4.040 1.658 1.00 0.00 C ATOM 630 O GLY A 45 14.069 5.179 1.429 1.00 0.00 O ATOM 0 H GLY A 45 16.041 1.790 2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.626 3.402 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.760 4.663 3.249 1.00 0.00 H new ATOM 634 N SER A 46 14.230 3.007 0.849 1.00 0.00 N ATOM 635 CA SER A 46 13.455 3.163 -0.388 1.00 0.00 C ATOM 636 C SER A 46 12.431 2.043 -0.527 1.00 0.00 C ATOM 637 O SER A 46 12.780 0.862 -0.488 1.00 0.00 O ATOM 638 CB SER A 46 14.394 3.138 -1.594 1.00 0.00 C ATOM 639 OG SER A 46 15.290 4.239 -1.519 1.00 0.00 O ATOM 0 H SER A 46 14.556 2.057 1.025 1.00 0.00 H new ATOM 0 HA SER A 46 12.931 4.118 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.952 2.202 -1.615 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.818 3.186 -2.518 1.00 0.00 H new ATOM 0 HG SER A 46 15.893 4.223 -2.291 1.00 0.00 H new ATOM 645 N LEU A 47 11.164 2.421 -0.697 1.00 0.00 N ATOM 646 CA LEU A 47 10.086 1.444 -0.854 1.00 0.00 C ATOM 647 C LEU A 47 9.902 1.094 -2.327 1.00 0.00 C ATOM 648 O LEU A 47 9.560 1.954 -3.139 1.00 0.00 O ATOM 649 CB LEU A 47 8.773 2.017 -0.309 1.00 0.00 C ATOM 650 CG LEU A 47 8.898 2.330 1.190 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.587 2.963 1.672 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.181 1.039 1.992 1.00 0.00 C ATOM 0 H LEU A 47 10.859 3.394 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 47 10.352 0.545 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.512 2.924 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.964 1.304 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 47 9.728 3.019 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.662 3.190 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.401 3.882 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.765 2.267 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.266 1.280 3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.364 0.333 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.113 0.592 1.645 1.00 0.00 H new ATOM 664 N LYS A 48 10.130 -0.178 -2.666 1.00 0.00 N ATOM 665 CA LYS A 48 9.990 -0.655 -4.050 1.00 0.00 C ATOM 666 C LYS A 48 8.970 -1.788 -4.118 1.00 0.00 C ATOM 667 O LYS A 48 8.823 -2.554 -3.171 1.00 0.00 O ATOM 668 CB LYS A 48 11.347 -1.154 -4.567 1.00 0.00 C ATOM 669 CG LYS A 48 12.328 0.030 -4.740 1.00 0.00 C ATOM 670 CD LYS A 48 12.133 0.699 -6.113 1.00 0.00 C ATOM 671 CE LYS A 48 13.179 1.804 -6.308 1.00 0.00 C ATOM 672 NZ LYS A 48 12.804 2.993 -5.492 1.00 0.00 N ATOM 0 H LYS A 48 10.413 -0.899 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 48 9.645 0.171 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.764 -1.881 -3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.214 -1.666 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.168 0.761 -3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.354 -0.324 -4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.224 -0.044 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.130 1.119 -6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.164 1.443 -6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.242 2.078 -7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.979 3.859 -6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.796 2.939 -5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.375 3.012 -4.623 1.00 0.00 H new ATOM 686 N TRP A 49 8.264 -1.876 -5.243 1.00 0.00 N ATOM 687 CA TRP A 49 7.244 -2.908 -5.428 1.00 0.00 C ATOM 688 C TRP A 49 7.863 -4.300 -5.511 1.00 0.00 C ATOM 689 O TRP A 49 9.031 -4.485 -5.168 1.00 0.00 O ATOM 690 CB TRP A 49 6.430 -2.599 -6.699 1.00 0.00 C ATOM 691 CG TRP A 49 5.508 -1.457 -6.419 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.600 -0.225 -6.970 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.368 -1.423 -5.518 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.589 0.568 -6.462 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.804 -0.122 -5.562 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.766 -2.387 -4.667 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.690 0.217 -4.791 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.635 -2.049 -3.888 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.099 -0.746 -3.949 1.00 0.00 C ATOM 0 H TRP A 49 8.378 -1.248 -6.038 1.00 0.00 H new ATOM 0 HA TRP A 49 6.583 -2.901 -4.562 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.098 -2.350 -7.523 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.861 -3.477 -7.004 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.342 0.088 -7.689 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.441 1.544 -6.721 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.175 -3.385 -4.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.282 1.216 -4.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.181 -2.789 -3.246 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.237 -0.487 -3.352 1.00 0.00 H new ATOM 710 N GLN A 50 7.049 -5.272 -5.953 1.00 0.00 N ATOM 711 CA GLN A 50 7.465 -6.677 -6.085 1.00 0.00 C ATOM 712 C GLN A 50 8.556 -7.052 -5.085 1.00 0.00 C ATOM 713 O GLN A 50 9.528 -7.723 -5.422 1.00 0.00 O ATOM 714 CB GLN A 50 7.905 -6.984 -7.534 1.00 0.00 C ATOM 715 CG GLN A 50 9.226 -6.252 -7.923 1.00 0.00 C ATOM 716 CD GLN A 50 10.429 -7.198 -7.809 1.00 0.00 C ATOM 717 OE1 GLN A 50 10.379 -8.320 -8.272 1.00 0.00 O ATOM 718 NE2 GLN A 50 11.512 -6.788 -7.206 1.00 0.00 N ATOM 0 H GLN A 50 6.082 -5.105 -6.229 1.00 0.00 H new ATOM 0 HA GLN A 50 6.598 -7.295 -5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.041 -8.059 -7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.113 -6.688 -8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.151 -5.874 -8.943 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.374 -5.389 -7.273 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.554 -5.846 -6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.316 -7.410 -7.124 1.00 0.00 H new ATOM 727 N GLY A 51 8.375 -6.615 -3.840 1.00 0.00 N ATOM 728 CA GLY A 51 9.334 -6.898 -2.781 1.00 0.00 C ATOM 729 C GLY A 51 8.651 -7.241 -1.470 1.00 0.00 C ATOM 730 O GLY A 51 7.423 -7.246 -1.381 1.00 0.00 O ATOM 0 H GLY A 51 7.571 -6.063 -3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.974 -7.727 -3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.981 -6.032 -2.637 1.00 0.00 H new ATOM 734 N SER A 52 9.455 -7.545 -0.448 1.00 0.00 N ATOM 735 CA SER A 52 8.919 -7.907 0.867 1.00 0.00 C ATOM 736 C SER A 52 9.930 -7.583 1.970 1.00 0.00 C ATOM 737 O SER A 52 11.065 -7.198 1.685 1.00 0.00 O ATOM 738 CB SER A 52 8.581 -9.404 0.886 1.00 0.00 C ATOM 739 OG SER A 52 9.620 -10.125 0.238 1.00 0.00 O ATOM 0 H SER A 52 10.473 -7.548 -0.505 1.00 0.00 H new ATOM 0 HA SER A 52 8.015 -7.327 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.467 -9.751 1.913 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.630 -9.581 0.383 1.00 0.00 H new ATOM 0 HG SER A 52 9.410 -11.082 0.249 1.00 0.00 H new ATOM 745 N ASN A 53 9.500 -7.724 3.228 1.00 0.00 N ATOM 746 CA ASN A 53 10.355 -7.438 4.384 1.00 0.00 C ATOM 747 C ASN A 53 10.757 -5.959 4.415 1.00 0.00 C ATOM 748 O ASN A 53 11.942 -5.626 4.447 1.00 0.00 O ATOM 749 CB ASN A 53 11.612 -8.355 4.387 1.00 0.00 C ATOM 750 CG ASN A 53 11.309 -9.674 5.111 1.00 0.00 C ATOM 751 OD1 ASN A 53 10.932 -10.649 4.493 1.00 0.00 O ATOM 752 ND2 ASN A 53 11.465 -9.740 6.405 1.00 0.00 N ATOM 0 H ASN A 53 8.560 -8.036 3.472 1.00 0.00 H new ATOM 0 HA ASN A 53 9.782 -7.650 5.286 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.924 -8.558 3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.441 -7.845 4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.270 -10.611 6.898 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.782 -8.920 6.923 1.00 0.00 H new ATOM 759 N PHE A 54 9.753 -5.073 4.441 1.00 0.00 N ATOM 760 CA PHE A 54 9.995 -3.622 4.506 1.00 0.00 C ATOM 761 C PHE A 54 9.523 -3.091 5.854 1.00 0.00 C ATOM 762 O PHE A 54 10.125 -2.184 6.427 1.00 0.00 O ATOM 763 CB PHE A 54 9.263 -2.904 3.341 1.00 0.00 C ATOM 764 CG PHE A 54 7.877 -2.436 3.740 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.700 -1.192 4.378 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.768 -3.238 3.451 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.404 -0.756 4.730 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.469 -2.809 3.794 1.00 0.00 C ATOM 769 CZ PHE A 54 5.286 -1.564 4.434 1.00 0.00 C ATOM 0 H PHE A 54 8.767 -5.333 4.418 1.00 0.00 H new ATOM 0 HA PHE A 54 11.062 -3.425 4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.854 -2.048 3.015 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.186 -3.581 2.490 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.556 -0.572 4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.907 -4.191 2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.269 0.194 5.225 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.616 -3.432 3.568 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.293 -1.231 4.696 1.00 0.00 H new ATOM 779 N ILE A 55 8.439 -3.673 6.347 1.00 0.00 N ATOM 780 CA ILE A 55 7.879 -3.263 7.622 1.00 0.00 C ATOM 781 C ILE A 55 8.888 -3.491 8.737 1.00 0.00 C ATOM 782 O ILE A 55 8.988 -2.693 9.668 1.00 0.00 O ATOM 783 CB ILE A 55 6.592 -4.059 7.936 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.929 -3.519 9.220 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.935 -5.541 8.127 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.526 -2.037 9.042 1.00 0.00 C ATOM 0 H ILE A 55 7.933 -4.428 5.884 1.00 0.00 H new ATOM 0 HA ILE A 55 7.637 -2.202 7.557 1.00 0.00 H new ATOM 0 HB ILE A 55 5.899 -3.947 7.102 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.048 -4.115 9.459 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.617 -3.616 10.060 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.025 -6.099 8.348 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.387 -5.930 7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.637 -5.648 8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.060 -1.674 9.958 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.413 -1.442 8.826 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.820 -1.949 8.216 1.00 0.00 H new ATOM 798 N GLU A 56 9.632 -4.586 8.641 1.00 0.00 N ATOM 799 CA GLU A 56 10.622 -4.898 9.659 1.00 0.00 C ATOM 800 C GLU A 56 11.597 -3.739 9.827 1.00 0.00 C ATOM 801 O GLU A 56 12.111 -3.508 10.921 1.00 0.00 O ATOM 802 CB GLU A 56 11.391 -6.182 9.301 1.00 0.00 C ATOM 803 CG GLU A 56 11.986 -6.100 7.862 1.00 0.00 C ATOM 804 CD GLU A 56 13.408 -6.683 7.840 1.00 0.00 C ATOM 805 OE1 GLU A 56 14.262 -6.132 8.516 1.00 0.00 O ATOM 806 OE2 GLU A 56 13.615 -7.669 7.151 1.00 0.00 O ATOM 0 H GLU A 56 9.570 -5.262 7.880 1.00 0.00 H new ATOM 0 HA GLU A 56 10.097 -5.059 10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.194 -6.341 10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.724 -7.041 9.373 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.350 -6.647 7.166 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.005 -5.063 7.527 1.00 0.00 H new ATOM 813 N ALA A 57 11.863 -3.017 8.734 1.00 0.00 N ATOM 814 CA ALA A 57 12.795 -1.885 8.759 1.00 0.00 C ATOM 815 C ALA A 57 12.064 -0.568 8.522 1.00 0.00 C ATOM 816 O ALA A 57 12.691 0.443 8.210 1.00 0.00 O ATOM 817 CB ALA A 57 13.850 -2.079 7.682 1.00 0.00 C ATOM 0 H ALA A 57 11.446 -3.196 7.821 1.00 0.00 H new ATOM 0 HA ALA A 57 13.265 -1.845 9.742 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.545 -1.239 7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.395 -3.004 7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.368 -2.133 6.706 1.00 0.00 H new ATOM 823 N CYS A 58 10.734 -0.579 8.655 1.00 0.00 N ATOM 824 CA CYS A 58 9.937 0.633 8.437 1.00 0.00 C ATOM 825 C CYS A 58 8.791 0.725 9.435 1.00 0.00 C ATOM 826 O CYS A 58 8.337 -0.284 9.971 1.00 0.00 O ATOM 827 CB CYS A 58 9.370 0.630 7.020 1.00 0.00 C ATOM 828 SG CYS A 58 10.720 0.420 5.836 1.00 0.00 S ATOM 0 H CYS A 58 10.191 -1.404 8.910 1.00 0.00 H new ATOM 0 HA CYS A 58 10.589 1.495 8.577 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.644 -0.176 6.908 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.842 1.564 6.825 1.00 0.00 H new ATOM 833 N ARG A 59 8.319 1.951 9.668 1.00 0.00 N ATOM 834 CA ARG A 59 7.209 2.183 10.590 1.00 0.00 C ATOM 835 C ARG A 59 6.482 3.472 10.227 1.00 0.00 C ATOM 836 O ARG A 59 6.849 4.152 9.268 1.00 0.00 O ATOM 837 CB ARG A 59 7.704 2.253 12.046 1.00 0.00 C ATOM 838 CG ARG A 59 8.761 3.377 12.237 1.00 0.00 C ATOM 839 CD ARG A 59 10.182 2.837 12.025 1.00 0.00 C ATOM 840 NE ARG A 59 11.167 3.901 12.376 1.00 0.00 N ATOM 841 CZ ARG A 59 11.327 4.260 13.623 1.00 0.00 C ATOM 842 NH1 ARG A 59 10.719 3.608 14.575 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.097 5.273 13.915 1.00 0.00 N ATOM 0 H ARG A 59 8.688 2.796 9.231 1.00 0.00 H new ATOM 0 HA ARG A 59 6.518 1.345 10.502 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.858 2.431 12.710 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.136 1.294 12.331 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.567 4.187 11.534 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.673 3.797 13.239 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.345 1.955 12.644 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.316 2.528 10.988 1.00 0.00 H new ATOM 0 HE ARG A 59 11.716 4.349 11.642 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.117 2.816 14.347 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.845 3.890 15.547 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.573 5.783 13.171 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.223 5.554 14.887 1.00 0.00 H new ATOM 857 N ASN A 60 5.448 3.801 10.992 1.00 0.00 N ATOM 858 CA ASN A 60 4.678 5.009 10.729 1.00 0.00 C ATOM 859 C ASN A 60 4.210 5.015 9.283 1.00 0.00 C ATOM 860 O ASN A 60 4.480 5.954 8.536 1.00 0.00 O ATOM 861 CB ASN A 60 5.532 6.250 10.991 1.00 0.00 C ATOM 862 CG ASN A 60 6.017 6.242 12.440 1.00 0.00 C ATOM 863 OD1 ASN A 60 5.261 5.948 13.345 1.00 0.00 O ATOM 864 ND2 ASN A 60 7.256 6.556 12.700 1.00 0.00 N ATOM 0 H ASN A 60 5.126 3.255 11.791 1.00 0.00 H new ATOM 0 HA ASN A 60 3.814 5.024 11.394 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.384 6.267 10.312 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.951 7.151 10.796 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.591 6.555 13.663 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.890 6.803 11.940 1.00 0.00 H new ATOM 871 N THR A 61 3.485 3.967 8.901 1.00 0.00 N ATOM 872 CA THR A 61 2.953 3.845 7.550 1.00 0.00 C ATOM 873 C THR A 61 1.525 4.394 7.543 1.00 0.00 C ATOM 874 O THR A 61 0.753 4.123 8.463 1.00 0.00 O ATOM 875 CB THR A 61 2.950 2.350 7.134 1.00 0.00 C ATOM 876 OG1 THR A 61 2.553 1.565 8.241 1.00 0.00 O ATOM 877 CG2 THR A 61 4.355 1.920 6.691 1.00 0.00 C ATOM 0 H THR A 61 3.252 3.186 9.514 1.00 0.00 H new ATOM 0 HA THR A 61 3.567 4.406 6.845 1.00 0.00 H new ATOM 0 HB THR A 61 2.257 2.211 6.304 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.274 0.945 8.478 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.340 0.869 6.402 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.670 2.526 5.841 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.055 2.059 7.515 1.00 0.00 H new ATOM 885 N GLN A 62 1.169 5.163 6.514 1.00 0.00 N ATOM 886 CA GLN A 62 -0.179 5.732 6.435 1.00 0.00 C ATOM 887 C GLN A 62 -0.533 6.117 4.999 1.00 0.00 C ATOM 888 O GLN A 62 0.334 6.178 4.128 1.00 0.00 O ATOM 889 CB GLN A 62 -0.297 6.967 7.337 1.00 0.00 C ATOM 890 CG GLN A 62 0.770 8.011 6.976 1.00 0.00 C ATOM 891 CD GLN A 62 0.400 9.355 7.609 1.00 0.00 C ATOM 892 OE1 GLN A 62 -0.765 9.687 7.721 1.00 0.00 O ATOM 893 NE2 GLN A 62 1.347 10.147 8.030 1.00 0.00 N ATOM 0 H GLN A 62 1.782 5.404 5.735 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.878 4.968 6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.290 7.405 7.234 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.186 6.673 8.381 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.748 7.686 7.331 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.842 8.114 5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.324 9.869 7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.111 11.045 8.453 1.00 0.00 H new ATOM 902 N LEU A 63 -1.814 6.394 4.766 1.00 0.00 N ATOM 903 CA LEU A 63 -2.283 6.797 3.440 1.00 0.00 C ATOM 904 C LEU A 63 -2.124 8.302 3.271 1.00 0.00 C ATOM 905 O LEU A 63 -2.435 9.074 4.176 1.00 0.00 O ATOM 906 CB LEU A 63 -3.761 6.423 3.276 1.00 0.00 C ATOM 907 CG LEU A 63 -4.227 6.659 1.810 1.00 0.00 C ATOM 908 CD1 LEU A 63 -3.965 5.412 0.954 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.726 6.972 1.792 1.00 0.00 C ATOM 0 H LEU A 63 -2.545 6.347 5.476 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.691 6.282 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.909 5.378 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.370 7.018 3.957 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.665 7.498 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.297 5.596 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.898 5.188 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.513 4.565 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.051 7.137 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.278 6.134 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.918 7.869 2.382 1.00 0.00 H new ATOM 921 N ALA A 64 -1.654 8.710 2.094 1.00 0.00 N ATOM 922 CA ALA A 64 -1.463 10.129 1.783 1.00 0.00 C ATOM 923 C ALA A 64 -2.166 10.470 0.471 1.00 0.00 C ATOM 924 O ALA A 64 -2.094 9.716 -0.498 1.00 0.00 O ATOM 925 CB ALA A 64 0.030 10.435 1.689 1.00 0.00 C ATOM 0 H ALA A 64 -1.397 8.077 1.336 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.896 10.739 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.171 11.491 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.509 10.205 2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.477 9.828 0.902 1.00 0.00 H new ATOM 931 N GLY A 65 -2.837 11.617 0.453 1.00 0.00 N ATOM 932 CA GLY A 65 -3.544 12.065 -0.735 1.00 0.00 C ATOM 933 C GLY A 65 -4.797 11.252 -1.025 1.00 0.00 C ATOM 934 O GLY A 65 -5.911 11.766 -0.935 1.00 0.00 O ATOM 0 H GLY A 65 -2.904 12.251 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.818 13.113 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.874 12.007 -1.593 1.00 0.00 H new ATOM 938 N SER A 66 -4.601 9.974 -1.351 1.00 0.00 N ATOM 939 CA SER A 66 -5.725 9.073 -1.642 1.00 0.00 C ATOM 940 C SER A 66 -5.248 7.655 -1.954 1.00 0.00 C ATOM 941 O SER A 66 -5.871 6.677 -1.540 1.00 0.00 O ATOM 942 CB SER A 66 -6.555 9.596 -2.837 1.00 0.00 C ATOM 943 OG SER A 66 -7.902 9.169 -2.686 1.00 0.00 O ATOM 0 H SER A 66 -3.682 9.538 -1.421 1.00 0.00 H new ATOM 0 HA SER A 66 -6.346 9.046 -0.746 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.508 10.684 -2.881 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.144 9.221 -3.774 1.00 0.00 H new ATOM 0 HG SER A 66 -8.436 9.498 -3.439 1.00 0.00 H new ATOM 949 N SER A 67 -4.164 7.550 -2.720 1.00 0.00 N ATOM 950 CA SER A 67 -3.632 6.245 -3.121 1.00 0.00 C ATOM 951 C SER A 67 -2.119 6.201 -2.972 1.00 0.00 C ATOM 952 O SER A 67 -1.441 5.494 -3.712 1.00 0.00 O ATOM 953 CB SER A 67 -4.010 5.981 -4.585 1.00 0.00 C ATOM 954 OG SER A 67 -2.943 6.387 -5.434 1.00 0.00 O ATOM 0 H SER A 67 -3.637 8.348 -3.075 1.00 0.00 H new ATOM 0 HA SER A 67 -4.060 5.479 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.222 4.922 -4.731 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.919 6.526 -4.840 1.00 0.00 H new ATOM 0 HG SER A 67 -2.179 5.785 -5.310 1.00 0.00 H new ATOM 960 N GLU A 68 -1.593 6.955 -2.010 1.00 0.00 N ATOM 961 CA GLU A 68 -0.149 6.986 -1.761 1.00 0.00 C ATOM 962 C GLU A 68 0.138 6.464 -0.366 1.00 0.00 C ATOM 963 O GLU A 68 -0.715 6.533 0.519 1.00 0.00 O ATOM 964 CB GLU A 68 0.387 8.413 -1.919 1.00 0.00 C ATOM 965 CG GLU A 68 -0.174 9.034 -3.209 1.00 0.00 C ATOM 966 CD GLU A 68 0.643 10.273 -3.587 1.00 0.00 C ATOM 967 OE1 GLU A 68 0.989 11.027 -2.693 1.00 0.00 O ATOM 968 OE2 GLU A 68 0.910 10.444 -4.765 1.00 0.00 O ATOM 0 H GLU A 68 -2.141 7.552 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 68 0.353 6.349 -2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.101 9.017 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.476 8.402 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.141 8.305 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.220 9.306 -3.067 1.00 0.00 H new ATOM 975 N LEU A 69 1.346 5.931 -0.177 1.00 0.00 N ATOM 976 CA LEU A 69 1.755 5.380 1.117 1.00 0.00 C ATOM 977 C LEU A 69 3.037 6.043 1.578 1.00 0.00 C ATOM 978 O LEU A 69 4.116 5.751 1.074 1.00 0.00 O ATOM 979 CB LEU A 69 1.946 3.857 0.987 1.00 0.00 C ATOM 980 CG LEU A 69 2.513 3.194 2.279 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.057 3.312 2.377 1.00 0.00 C ATOM 982 CD2 LEU A 69 1.866 3.803 3.531 1.00 0.00 C ATOM 0 H LEU A 69 2.059 5.869 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 69 0.982 5.576 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.989 3.397 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.621 3.652 0.156 1.00 0.00 H new ATOM 0 HG LEU A 69 2.265 2.134 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.401 2.835 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.515 2.820 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.342 4.364 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.276 3.326 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.074 4.873 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.788 3.644 3.498 1.00 0.00 H new ATOM 994 N ALA A 70 2.891 6.922 2.565 1.00 0.00 N ATOM 995 CA ALA A 70 4.024 7.638 3.149 1.00 0.00 C ATOM 996 C ALA A 70 4.486 6.914 4.404 1.00 0.00 C ATOM 997 O ALA A 70 3.665 6.439 5.190 1.00 0.00 O ATOM 998 CB ALA A 70 3.613 9.060 3.492 1.00 0.00 C ATOM 0 H ALA A 70 1.990 7.158 2.981 1.00 0.00 H new ATOM 0 HA ALA A 70 4.843 7.671 2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.461 9.589 3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.290 9.574 2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.792 9.039 4.209 1.00 0.00 H new ATOM 1004 N ALA A 71 5.798 6.812 4.591 1.00 0.00 N ATOM 1005 CA ALA A 71 6.324 6.119 5.761 1.00 0.00 C ATOM 1006 C ALA A 71 7.816 6.376 5.931 1.00 0.00 C ATOM 1007 O ALA A 71 8.448 7.014 5.090 1.00 0.00 O ATOM 1008 CB ALA A 71 6.059 4.624 5.611 1.00 0.00 C ATOM 0 H ALA A 71 6.504 7.192 3.961 1.00 0.00 H new ATOM 0 HA ALA A 71 5.822 6.498 6.651 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.449 4.096 6.481 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.986 4.451 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.553 4.255 4.712 1.00 0.00 H new ATOM 1014 N GLU A 72 8.370 5.862 7.032 1.00 0.00 N ATOM 1015 CA GLU A 72 9.795 6.024 7.332 1.00 0.00 C ATOM 1016 C GLU A 72 10.503 4.669 7.296 1.00 0.00 C ATOM 1017 O GLU A 72 10.076 3.722 7.951 1.00 0.00 O ATOM 1018 CB GLU A 72 9.962 6.672 8.725 1.00 0.00 C ATOM 1019 CG GLU A 72 9.838 8.207 8.638 1.00 0.00 C ATOM 1020 CD GLU A 72 10.344 8.842 9.938 1.00 0.00 C ATOM 1021 OE1 GLU A 72 10.201 8.217 10.976 1.00 0.00 O ATOM 1022 OE2 GLU A 72 10.870 9.941 9.871 1.00 0.00 O ATOM 0 H GLU A 72 7.853 5.329 7.731 1.00 0.00 H new ATOM 0 HA GLU A 72 10.245 6.670 6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.206 6.280 9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.934 6.405 9.140 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.414 8.580 7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.799 8.488 8.465 1.00 0.00 H new ATOM 1029 N CYS A 73 11.591 4.593 6.520 1.00 0.00 N ATOM 1030 CA CYS A 73 12.373 3.354 6.386 1.00 0.00 C ATOM 1031 C CYS A 73 13.838 3.595 6.741 1.00 0.00 C ATOM 1032 O CYS A 73 14.414 4.624 6.389 1.00 0.00 O ATOM 1033 CB CYS A 73 12.269 2.833 4.955 1.00 0.00 C ATOM 1034 SG CYS A 73 10.645 2.094 4.713 1.00 0.00 S ATOM 0 H CYS A 73 11.952 5.375 5.974 1.00 0.00 H new ATOM 0 HA CYS A 73 11.968 2.614 7.076 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.421 3.647 4.247 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.049 2.096 4.766 1.00 0.00 H new ATOM 1039 N LYS A 74 14.422 2.633 7.447 1.00 0.00 N ATOM 1040 CA LYS A 74 15.816 2.729 7.873 1.00 0.00 C ATOM 1041 C LYS A 74 16.775 2.560 6.690 1.00 0.00 C ATOM 1042 O LYS A 74 16.630 1.648 5.876 1.00 0.00 O ATOM 1043 CB LYS A 74 16.094 1.657 8.965 1.00 0.00 C ATOM 1044 CG LYS A 74 16.630 2.312 10.246 1.00 0.00 C ATOM 1045 CD LYS A 74 16.842 1.240 11.314 1.00 0.00 C ATOM 1046 CE LYS A 74 17.437 1.874 12.573 1.00 0.00 C ATOM 1047 NZ LYS A 74 17.963 0.802 13.462 1.00 0.00 N ATOM 0 H LYS A 74 13.952 1.776 7.737 1.00 0.00 H new ATOM 0 HA LYS A 74 15.988 3.722 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.177 1.110 9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.816 0.931 8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.569 2.826 10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 74 15.927 3.064 10.604 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.894 0.758 11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.508 0.464 10.937 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.237 2.564 12.304 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.677 2.455 13.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.368 1.230 14.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.189 0.161 13.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.700 0.266 12.961 1.00 0.00 H new ATOM 1061 N THR A 75 17.750 3.462 6.615 1.00 0.00 N ATOM 1062 CA THR A 75 18.742 3.436 5.544 1.00 0.00 C ATOM 1063 C THR A 75 19.831 2.409 5.841 1.00 0.00 C ATOM 1064 O THR A 75 19.891 1.852 6.937 1.00 0.00 O ATOM 1065 CB THR A 75 19.399 4.821 5.368 1.00 0.00 C ATOM 1066 OG1 THR A 75 19.854 5.291 6.628 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.378 5.807 4.795 1.00 0.00 C ATOM 0 H THR A 75 17.874 4.221 7.285 1.00 0.00 H new ATOM 0 HA THR A 75 18.223 3.162 4.625 1.00 0.00 H new ATOM 0 HB THR A 75 20.243 4.736 4.683 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.578 5.938 6.494 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.845 6.784 4.672 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.028 5.447 3.827 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.532 5.893 5.477 1.00 0.00 H new ATOM 1075 N ALA A 76 20.688 2.163 4.855 1.00 0.00 N ATOM 1076 CA ALA A 76 21.769 1.201 5.018 1.00 0.00 C ATOM 1077 C ALA A 76 22.640 1.575 6.211 1.00 0.00 C ATOM 1078 O ALA A 76 23.264 0.715 6.832 1.00 0.00 O ATOM 1079 CB ALA A 76 22.614 1.158 3.753 1.00 0.00 C ATOM 0 H ALA A 76 20.655 2.614 3.941 1.00 0.00 H new ATOM 0 HA ALA A 76 21.338 0.216 5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.422 0.437 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 76 21.991 0.861 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.035 2.145 3.563 1.00 0.00 H new ATOM 1085 N ALA A 77 22.677 2.868 6.524 1.00 0.00 N ATOM 1086 CA ALA A 77 23.475 3.360 7.645 1.00 0.00 C ATOM 1087 C ALA A 77 22.711 3.223 8.957 1.00 0.00 C ATOM 1088 O ALA A 77 23.297 3.318 10.036 1.00 0.00 O ATOM 1089 CB ALA A 77 23.833 4.819 7.415 1.00 0.00 C ATOM 0 H ALA A 77 22.166 3.592 6.019 1.00 0.00 H new ATOM 0 HA ALA A 77 24.384 2.762 7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.428 5.184 8.252 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.408 4.912 6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 77 22.920 5.409 7.334 1.00 0.00 H new ATOM 1095 N GLY A 78 21.399 2.995 8.867 1.00 0.00 N ATOM 1096 CA GLY A 78 20.566 2.845 10.055 1.00 0.00 C ATOM 1097 C GLY A 78 19.861 4.138 10.424 1.00 0.00 C ATOM 1098 O GLY A 78 19.702 4.447 11.605 1.00 0.00 O ATOM 0 H GLY A 78 20.894 2.911 7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.825 2.065 9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.183 2.518 10.891 1.00 0.00 H new ATOM 1102 N GLN A 79 19.420 4.893 9.408 1.00 0.00 N ATOM 1103 CA GLN A 79 18.710 6.163 9.634 1.00 0.00 C ATOM 1104 C GLN A 79 17.377 6.162 8.887 1.00 0.00 C ATOM 1105 O GLN A 79 17.302 5.820 7.709 1.00 0.00 O ATOM 1106 CB GLN A 79 19.577 7.353 9.168 1.00 0.00 C ATOM 1107 CG GLN A 79 20.585 7.735 10.264 1.00 0.00 C ATOM 1108 CD GLN A 79 21.378 8.971 9.831 1.00 0.00 C ATOM 1109 OE1 GLN A 79 20.817 9.857 9.053 1.00 0.00 O flip ATOM 1110 NE2 GLN A 79 22.520 9.133 10.211 1.00 0.00 N flip ATOM 0 H GLN A 79 19.541 4.649 8.425 1.00 0.00 H new ATOM 0 HA GLN A 79 18.516 6.268 10.702 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.106 7.090 8.252 1.00 0.00 H new ATOM 0 HB3 GLN A 79 18.941 8.207 8.935 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.061 7.937 11.198 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.264 6.903 10.452 1.00 0.00 H new ATOM 0 HE21 GLN A 79 22.958 8.441 10.819 1.00 0.00 H new ATOM 0 HE22 GLN A 79 23.041 9.961 9.922 1.00 0.00 H new ATOM 1119 N PHE A 80 16.333 6.555 9.602 1.00 0.00 N ATOM 1120 CA PHE A 80 14.987 6.606 9.041 1.00 0.00 C ATOM 1121 C PHE A 80 14.796 7.847 8.163 1.00 0.00 C ATOM 1122 O PHE A 80 14.898 8.977 8.638 1.00 0.00 O ATOM 1123 CB PHE A 80 13.966 6.605 10.193 1.00 0.00 C ATOM 1124 CG PHE A 80 13.767 5.188 10.709 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.091 4.238 9.913 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.263 4.814 11.979 1.00 0.00 C ATOM 1127 CE1 PHE A 80 12.912 2.920 10.385 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.079 3.496 12.451 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.403 2.549 11.654 1.00 0.00 C ATOM 0 H PHE A 80 16.391 6.845 10.578 1.00 0.00 H new ATOM 0 HA PHE A 80 14.835 5.731 8.409 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.315 7.249 11.000 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.016 7.012 9.848 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.711 4.520 8.942 1.00 0.00 H new ATOM 0 HD2 PHE A 80 14.783 5.537 12.589 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.398 2.194 9.773 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.456 3.213 13.423 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.262 1.541 12.015 1.00 0.00 H new ATOM 1139 N VAL A 81 14.499 7.617 6.877 1.00 0.00 N ATOM 1140 CA VAL A 81 14.267 8.709 5.920 1.00 0.00 C ATOM 1141 C VAL A 81 12.783 8.768 5.567 1.00 0.00 C ATOM 1142 O VAL A 81 12.009 7.954 6.045 1.00 0.00 O ATOM 1143 CB VAL A 81 15.079 8.503 4.629 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.566 8.681 4.934 1.00 0.00 C ATOM 1145 CG2 VAL A 81 14.837 7.093 4.087 1.00 0.00 C ATOM 0 H VAL A 81 14.413 6.684 6.474 1.00 0.00 H new ATOM 0 HA VAL A 81 14.586 9.641 6.386 1.00 0.00 H new ATOM 0 HB VAL A 81 14.766 9.234 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.144 8.536 4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.741 9.686 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.875 7.948 5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.413 6.951 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.148 6.359 4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.777 6.963 3.871 1.00 0.00 H new ATOM 1155 N SER A 82 12.386 9.733 4.737 1.00 0.00 N ATOM 1156 CA SER A 82 10.973 9.881 4.349 1.00 0.00 C ATOM 1157 C SER A 82 10.691 9.194 3.009 1.00 0.00 C ATOM 1158 O SER A 82 11.115 9.677 1.960 1.00 0.00 O ATOM 1159 CB SER A 82 10.635 11.377 4.257 1.00 0.00 C ATOM 1160 OG SER A 82 9.265 11.570 4.581 1.00 0.00 O ATOM 0 H SER A 82 13.013 10.421 4.320 1.00 0.00 H new ATOM 0 HA SER A 82 10.348 9.403 5.104 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.266 11.947 4.940 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.838 11.746 3.252 1.00 0.00 H new ATOM 0 HG SER A 82 9.047 12.524 4.525 1.00 0.00 H new ATOM 1166 N THR A 83 10.000 8.047 3.050 1.00 0.00 N ATOM 1167 CA THR A 83 9.696 7.287 1.827 1.00 0.00 C ATOM 1168 C THR A 83 8.216 7.326 1.462 1.00 0.00 C ATOM 1169 O THR A 83 7.340 7.305 2.328 1.00 0.00 O ATOM 1170 CB THR A 83 10.071 5.807 2.002 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.142 5.191 2.886 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.488 5.677 2.576 1.00 0.00 C ATOM 0 H THR A 83 9.643 7.627 3.908 1.00 0.00 H new ATOM 0 HA THR A 83 10.279 7.759 1.036 1.00 0.00 H new ATOM 0 HB THR A 83 10.042 5.316 1.029 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.899 5.821 3.596 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.738 4.622 2.694 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.200 6.145 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.534 6.171 3.546 1.00 0.00 H new ATOM 1180 N LYS A 84 7.954 7.364 0.152 1.00 0.00 N ATOM 1181 CA LYS A 84 6.585 7.380 -0.370 1.00 0.00 C ATOM 1182 C LYS A 84 6.471 6.482 -1.602 1.00 0.00 C ATOM 1183 O LYS A 84 7.474 6.148 -2.233 1.00 0.00 O ATOM 1184 CB LYS A 84 6.164 8.808 -0.735 1.00 0.00 C ATOM 1185 CG LYS A 84 7.205 9.464 -1.675 1.00 0.00 C ATOM 1186 CD LYS A 84 6.528 10.520 -2.566 1.00 0.00 C ATOM 1187 CE LYS A 84 5.928 11.635 -1.702 1.00 0.00 C ATOM 1188 NZ LYS A 84 5.256 12.633 -2.581 1.00 0.00 N ATOM 0 H LYS A 84 8.676 7.384 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 84 5.922 7.003 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.188 8.792 -1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.059 9.404 0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.996 9.928 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.676 8.702 -2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.255 10.940 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.746 10.054 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.212 11.217 -0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.710 12.118 -1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.848 13.391 -1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.951 13.039 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.499 12.166 -3.121 1.00 0.00 H new ATOM 1202 N ILE A 85 5.244 6.097 -1.940 1.00 0.00 N ATOM 1203 CA ILE A 85 5.012 5.238 -3.099 1.00 0.00 C ATOM 1204 C ILE A 85 3.526 5.236 -3.455 1.00 0.00 C ATOM 1205 O ILE A 85 2.668 5.235 -2.572 1.00 0.00 O ATOM 1206 CB ILE A 85 5.490 3.801 -2.809 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.342 2.931 -4.063 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.668 3.209 -1.671 1.00 0.00 C ATOM 1209 CD1 ILE A 85 5.991 1.553 -3.830 1.00 0.00 C ATOM 0 H ILE A 85 4.400 6.363 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 85 5.580 5.628 -3.943 1.00 0.00 H new ATOM 0 HB ILE A 85 6.541 3.828 -2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.287 2.808 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.811 3.424 -4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.007 2.193 -1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.792 3.819 -0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.616 3.190 -1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.881 0.943 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.050 1.683 -3.607 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.502 1.058 -2.991 1.00 0.00 H new ATOM 1221 N ASN A 86 3.228 5.256 -4.755 1.00 0.00 N ATOM 1222 CA ASN A 86 1.840 5.283 -5.225 1.00 0.00 C ATOM 1223 C ASN A 86 1.229 3.878 -5.199 1.00 0.00 C ATOM 1224 O ASN A 86 1.583 3.029 -6.011 1.00 0.00 O ATOM 1225 CB ASN A 86 1.797 5.880 -6.658 1.00 0.00 C ATOM 1226 CG ASN A 86 0.665 6.910 -6.786 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.523 6.617 -6.333 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.870 7.993 -7.297 1.00 0.00 N flip ATOM 0 H ASN A 86 3.925 5.254 -5.499 1.00 0.00 H new ATOM 0 HA ASN A 86 1.247 5.910 -4.559 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.752 6.352 -6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.652 5.081 -7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.799 8.222 -7.651 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.113 8.673 -7.372 1.00 0.00 H new ATOM 1235 N LEU A 87 0.285 3.665 -4.284 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.404 2.380 -4.158 1.00 0.00 C ATOM 1237 C LEU A 87 -1.149 2.036 -5.439 1.00 0.00 C ATOM 1238 O LEU A 87 -1.363 0.867 -5.758 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.410 2.473 -3.018 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.682 2.710 -1.684 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.705 3.125 -0.599 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.070 1.424 -1.242 1.00 0.00 C ATOM 0 H LEU A 87 -0.022 4.370 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 87 0.336 1.604 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.111 3.286 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.994 1.555 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 87 0.047 3.510 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.186 3.292 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.207 4.043 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.443 2.333 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.580 1.608 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.644 0.610 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.802 1.151 -2.002 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.549 3.069 -6.158 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.287 2.892 -7.396 1.00 0.00 C ATOM 1256 C ASP A 88 -1.392 2.342 -8.503 1.00 0.00 C ATOM 1257 O ASP A 88 -1.871 1.977 -9.578 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.885 4.235 -7.818 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.778 5.192 -8.266 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.621 4.851 -8.092 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -2.110 6.248 -8.779 1.00 0.00 O ATOM 0 H ASP A 88 -1.375 4.042 -5.905 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.084 2.168 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.596 4.085 -8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.438 4.672 -6.987 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.094 2.293 -8.237 1.00 0.00 N ATOM 1267 CA ASP A 89 0.859 1.800 -9.224 1.00 0.00 C ATOM 1268 C ASP A 89 0.650 0.310 -9.503 1.00 0.00 C ATOM 1269 O ASP A 89 1.011 -0.180 -10.573 1.00 0.00 O ATOM 1270 CB ASP A 89 2.292 2.043 -8.725 1.00 0.00 C ATOM 1271 CG ASP A 89 3.275 2.001 -9.899 1.00 0.00 C ATOM 1272 OD1 ASP A 89 3.040 1.232 -10.815 1.00 0.00 O ATOM 1273 OD2 ASP A 89 4.242 2.743 -9.861 1.00 0.00 O ATOM 0 H ASP A 89 0.322 2.586 -7.353 1.00 0.00 H new ATOM 0 HA ASP A 89 0.697 2.343 -10.155 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.352 3.010 -8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.562 1.286 -7.988 1.00 0.00 H new ATOM 1278 N HIS A 90 0.069 -0.414 -8.541 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.168 -1.853 -8.713 1.00 0.00 C ATOM 1280 C HIS A 90 -1.431 -2.306 -7.987 1.00 0.00 C ATOM 1281 O HIS A 90 -2.172 -3.149 -8.493 1.00 0.00 O ATOM 1282 CB HIS A 90 1.013 -2.650 -8.166 1.00 0.00 C ATOM 1283 CG HIS A 90 2.254 -2.360 -8.964 1.00 0.00 C ATOM 1284 ND1 HIS A 90 3.137 -1.350 -8.617 1.00 0.00 N ATOM 1285 CD2 HIS A 90 2.782 -2.952 -10.084 1.00 0.00 C ATOM 1286 CE1 HIS A 90 4.142 -1.367 -9.512 1.00 0.00 C ATOM 1287 NE2 HIS A 90 3.976 -2.325 -10.426 1.00 0.00 N ATOM 0 H HIS A 90 -0.243 -0.035 -7.647 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.289 -2.033 -9.781 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.178 -2.396 -7.119 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.789 -3.716 -8.204 1.00 0.00 H new ATOM 0 HD1 HIS A 90 3.043 -0.711 -7.828 1.00 0.00 H new ATOM 0 HD2 HIS A 90 2.338 -3.779 -10.619 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.981 -0.688 -9.493 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.667 -1.769 -6.794 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.843 -2.162 -6.026 1.00 0.00 C ATOM 1297 C ILE A 91 -4.102 -1.891 -6.838 1.00 0.00 C ATOM 1298 O ILE A 91 -4.355 -0.762 -7.253 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.932 -1.407 -4.681 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.580 -1.474 -3.932 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -4.049 -2.008 -3.818 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.338 -2.857 -3.300 1.00 0.00 C ATOM 0 H ILE A 91 -1.072 -1.073 -6.345 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.754 -3.227 -5.811 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.162 -0.360 -4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.770 -1.245 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.559 -0.711 -3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.106 -1.471 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.001 -1.921 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.835 -3.059 -3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.378 -2.859 -2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.133 -3.075 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.332 -3.618 -4.081 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.884 -2.946 -7.070 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.123 -2.848 -7.848 1.00 0.00 C ATOM 1316 C ALA A 92 -7.313 -3.293 -7.010 1.00 0.00 C ATOM 1317 O ALA A 92 -7.153 -3.776 -5.889 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.023 -3.734 -9.075 1.00 0.00 C ATOM 0 H ALA A 92 -4.681 -3.885 -6.728 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.265 -1.810 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.944 -3.661 -9.653 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.183 -3.411 -9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.870 -4.768 -8.766 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.507 -3.145 -7.577 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.745 -3.549 -6.907 1.00 0.00 C ATOM 1326 C ASN A 93 -10.396 -4.675 -7.699 1.00 0.00 C ATOM 1327 O ASN A 93 -10.784 -4.484 -8.852 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.701 -2.362 -6.831 1.00 0.00 C ATOM 1329 CG ASN A 93 -11.904 -2.722 -5.957 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.754 -3.322 -4.910 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.101 -2.377 -6.345 1.00 0.00 N ATOM 0 H ASN A 93 -8.646 -2.746 -8.505 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.518 -3.891 -5.897 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.186 -1.494 -6.418 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.036 -2.088 -7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.911 -2.611 -5.770 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.227 -1.874 -7.223 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.521 -5.848 -7.076 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.130 -7.014 -7.724 1.00 0.00 C ATOM 1340 C ILE A 94 -12.389 -7.433 -6.972 1.00 0.00 C ATOM 1341 O ILE A 94 -12.314 -8.062 -5.916 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.151 -8.210 -7.721 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.795 -7.787 -8.335 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.763 -9.403 -8.493 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.978 -7.162 -9.726 1.00 0.00 C ATOM 0 H ILE A 94 -10.208 -6.017 -6.120 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.374 -6.737 -8.749 1.00 0.00 H new ATOM 0 HB ILE A 94 -9.976 -8.526 -6.693 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.303 -7.072 -7.676 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.141 -8.656 -8.408 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.064 -10.239 -8.484 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.696 -9.705 -8.017 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.961 -9.107 -9.523 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.006 -6.877 -10.127 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.447 -7.887 -10.392 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.612 -6.279 -9.647 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.543 -7.085 -7.526 1.00 0.00 N ATOM 1358 CA ASP A 95 -14.816 -7.433 -6.908 1.00 0.00 C ATOM 1359 C ASP A 95 -14.969 -6.745 -5.550 1.00 0.00 C ATOM 1360 O ASP A 95 -15.588 -7.287 -4.634 1.00 0.00 O ATOM 1361 CB ASP A 95 -14.916 -8.960 -6.746 1.00 0.00 C ATOM 1362 CG ASP A 95 -16.386 -9.383 -6.629 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -17.054 -8.896 -5.732 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -16.816 -10.184 -7.443 1.00 0.00 O ATOM 0 H ASP A 95 -13.624 -6.564 -8.399 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.622 -7.087 -7.555 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.454 -9.455 -7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.367 -9.276 -5.859 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.409 -5.542 -5.437 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.490 -4.769 -4.204 1.00 0.00 C ATOM 1371 C GLY A 96 -13.383 -5.097 -3.225 1.00 0.00 C ATOM 1372 O GLY A 96 -13.301 -4.504 -2.150 1.00 0.00 O ATOM 0 H GLY A 96 -13.894 -5.083 -6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.451 -3.707 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.454 -4.953 -3.729 1.00 0.00 H new ATOM 1376 N THR A 97 -12.528 -6.050 -3.587 1.00 0.00 N ATOM 1377 CA THR A 97 -11.418 -6.456 -2.720 1.00 0.00 C ATOM 1378 C THR A 97 -10.112 -5.860 -3.230 1.00 0.00 C ATOM 1379 O THR A 97 -9.929 -5.704 -4.432 1.00 0.00 O ATOM 1380 CB THR A 97 -11.279 -7.988 -2.696 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.881 -8.443 -3.980 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.621 -8.618 -2.324 1.00 0.00 C ATOM 0 H THR A 97 -12.579 -6.556 -4.471 1.00 0.00 H new ATOM 0 HA THR A 97 -11.628 -6.094 -1.714 1.00 0.00 H new ATOM 0 HB THR A 97 -10.529 -8.275 -1.958 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.666 -8.506 -4.563 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.521 -9.703 -2.307 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.927 -8.267 -1.339 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.373 -8.334 -3.060 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.196 -5.540 -2.318 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.905 -4.974 -2.711 1.00 0.00 C ATOM 1392 C LEU A 98 -6.914 -6.093 -3.004 1.00 0.00 C ATOM 1393 O LEU A 98 -6.799 -7.047 -2.236 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.343 -4.097 -1.586 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.382 -3.049 -1.146 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.897 -2.347 0.133 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.586 -2.004 -2.261 1.00 0.00 C ATOM 0 H LEU A 98 -9.320 -5.661 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.054 -4.368 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.065 -4.720 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.436 -3.597 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.330 -3.550 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.634 -1.606 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.768 -3.084 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.945 -1.853 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.323 -1.268 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.640 -1.504 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.940 -2.500 -3.165 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.192 -5.965 -4.113 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.197 -6.965 -4.504 1.00 0.00 C ATOM 1411 C LYS A 99 -4.043 -6.289 -5.225 1.00 0.00 C ATOM 1412 O LYS A 99 -4.133 -5.124 -5.595 1.00 0.00 O ATOM 1413 CB LYS A 99 -5.822 -8.012 -5.432 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.858 -8.852 -4.670 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.229 -10.093 -5.505 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.544 -10.704 -5.007 1.00 0.00 C ATOM 1417 NZ LYS A 99 -8.332 -11.331 -3.674 1.00 0.00 N ATOM 0 H LYS A 99 -6.275 -5.180 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.833 -7.458 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.297 -7.519 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.044 -8.660 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.455 -9.158 -3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.748 -8.256 -4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.325 -9.816 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.431 -10.833 -5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.312 -9.933 -4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.902 -11.449 -5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.225 -11.745 -3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.613 -12.078 -3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.010 -10.609 -2.998 1.00 0.00 H new ATOM 1431 N TYR A 100 -2.957 -7.031 -5.423 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.773 -6.506 -6.108 1.00 0.00 C ATOM 1433 C TYR A 100 -1.747 -6.987 -7.556 1.00 0.00 C ATOM 1434 O TYR A 100 -2.003 -8.158 -7.834 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.519 -6.987 -5.373 1.00 0.00 C ATOM 1436 CG TYR A 100 0.730 -6.581 -6.126 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.258 -5.281 -5.972 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.388 -7.513 -6.959 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.444 -4.918 -6.647 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.567 -7.142 -7.643 1.00 0.00 C ATOM 1441 CZ TYR A 100 3.093 -5.843 -7.487 1.00 0.00 C ATOM 1442 OH TYR A 100 4.301 -5.512 -8.066 1.00 0.00 O ATOM 0 H TYR A 100 -2.870 -8.001 -5.119 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.804 -5.416 -6.107 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.497 -6.566 -4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.548 -8.071 -5.264 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.756 -4.565 -5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.989 -8.510 -7.073 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.855 -3.927 -6.518 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.065 -7.853 -8.285 1.00 0.00 H new ATOM 0 HH TYR A 100 4.616 -6.260 -8.616 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.434 -6.071 -8.475 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.367 -6.396 -9.906 1.00 0.00 C ATOM 1454 C GLU A 101 -0.012 -5.991 -10.474 1.00 0.00 C ATOM 1455 O GLU A 101 0.819 -6.866 -10.652 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.472 -5.657 -10.665 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.844 -6.100 -10.155 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.087 -7.564 -10.520 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -4.173 -7.853 -11.702 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -4.189 -8.372 -9.612 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.187 -4.807 -10.687 1.00 0.00 O ATOM 0 H GLU A 101 -1.222 -5.097 -8.256 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.502 -7.471 -10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.357 -4.581 -10.535 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.389 -5.860 -11.733 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.898 -5.972 -9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.623 -5.474 -10.590 1.00 0.00 H new