USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 914 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: B 163 SER OG : rot 126:sc= 0.851 USER MOD Set 1.2: B 165 THR OG1 : rot 180:sc= 0.685 USER MOD Set 2.1: A 67 TYR OH : rot 30:sc= 0.209 USER MOD Set 2.2: A 123 LYS NZ :NH3+ -116:sc= 0.167 (180deg=-0.137) USER MOD Set 3.1: A 115 LYS NZ :NH3+ -158:sc= 0.961 (180deg=-0.0719) USER MOD Set 3.2: A 116 SER OG : rot 110:sc= -0.0463 USER MOD Set 3.3: A 120 HIS : no HD1:sc= -0.098 K(o=0.82,f=-0.013) USER MOD Set 4.1: A 118 GLN : amide:sc= 0.381 K(o=1.1,f=-5.9!) USER MOD Set 4.2: A 121 LYS NZ :NH3+ -174:sc= 0.718 (180deg=0) USER MOD Set 5.1: A 71 SER OG : rot 111:sc= -0.764 USER MOD Set 5.2: B 162 TYR OH : rot 11:sc= 2 USER MOD Set 6.1: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 61 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-6.5!) USER MOD Set 7.1: A 27 SER OG : rot 180:sc= 0.743 USER MOD Set 7.2: A 31 LYS NZ :NH3+ 166:sc= 0.848 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 13 THR OG1 : rot 72:sc= 1.29 USER MOD Single : A 16 SER OG : rot 80:sc= 0.408 USER MOD Single : A 18 LYS NZ :NH3+ 148:sc= 1.07 (180deg=0.368) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -82:sc= 1.04 USER MOD Single : A 34 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0508 X(o=-0.051,f=-0.37) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 170:sc= -0.065 USER MOD Single : A 57 CYS SG : rot 97:sc= -0.0757 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= -0.038 (180deg=-0.294) USER MOD Single : A 65 SER OG : rot 133:sc= -0.252 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0715 USER MOD Single : A 80 THR OG1 : rot -160:sc= 0 USER MOD Single : A 93 THR OG1 : rot -12:sc= 0.628 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.244 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 99 ASN : amide:sc=-3.45e-05 K(o=-3.5e-05,f=-1.2) USER MOD Single : A 100 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 106 GLN : amide:sc= 0.0998 K(o=0.1,f=-0.8) USER MOD Single : A 110 SER OG : rot 180:sc= -0.0513 USER MOD Single : A 117 ASN : amide:sc= 0.337 K(o=0.34,f=-4.2!) USER MOD Single : A 126 MET CE :methyl 166:sc= -0.0104 (180deg=-0.263) USER MOD Single : B 161 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 6 -2.447 -5.444 20.297 1.00 0.00 N ATOM 79 CA ASP A 6 -1.911 -4.107 20.092 1.00 0.00 C ATOM 80 C ASP A 6 -1.210 -4.028 18.727 1.00 0.00 C ATOM 81 O ASP A 6 -1.504 -4.822 17.833 1.00 0.00 O ATOM 82 CB ASP A 6 -0.975 -3.793 21.263 1.00 0.00 C ATOM 83 CG ASP A 6 -0.680 -2.300 21.371 1.00 0.00 C ATOM 84 OD1 ASP A 6 -1.597 -1.565 21.800 1.00 0.00 O ATOM 85 OD2 ASP A 6 0.457 -1.910 21.023 1.00 0.00 O ATOM 0 HA ASP A 6 -2.702 -3.357 20.073 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.426 -4.142 22.192 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.040 -4.340 21.137 1.00 0.00 H new ATOM 90 N PHE A 7 -0.281 -3.079 18.552 1.00 0.00 N ATOM 91 CA PHE A 7 0.471 -2.917 17.312 1.00 0.00 C ATOM 92 C PHE A 7 1.175 -4.220 16.927 1.00 0.00 C ATOM 93 O PHE A 7 1.639 -4.372 15.798 1.00 0.00 O ATOM 94 CB PHE A 7 1.489 -1.790 17.517 1.00 0.00 C ATOM 95 CG PHE A 7 2.208 -1.330 16.267 1.00 0.00 C ATOM 96 CD1 PHE A 7 1.500 -1.109 15.075 1.00 0.00 C ATOM 97 CD2 PHE A 7 3.594 -1.115 16.299 1.00 0.00 C ATOM 98 CE1 PHE A 7 2.169 -0.670 13.925 1.00 0.00 C ATOM 99 CE2 PHE A 7 4.265 -0.676 15.148 1.00 0.00 C ATOM 100 CZ PHE A 7 3.553 -0.451 13.961 1.00 0.00 C ATOM 0 H PHE A 7 -0.033 -2.402 19.273 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.207 -2.664 16.497 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.975 -0.935 17.956 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.232 -2.122 18.242 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.434 -1.278 15.044 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.145 -1.288 17.211 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.619 -0.500 13.011 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.332 -0.511 15.176 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.070 -0.110 13.076 1.00 0.00 H new ATOM 110 N GLN A 8 1.249 -5.159 17.873 1.00 0.00 N ATOM 111 CA GLN A 8 1.791 -6.485 17.668 1.00 0.00 C ATOM 112 C GLN A 8 1.130 -7.174 16.476 1.00 0.00 C ATOM 113 O GLN A 8 1.813 -7.887 15.749 1.00 0.00 O ATOM 114 CB GLN A 8 1.551 -7.274 18.959 1.00 0.00 C ATOM 115 CG GLN A 8 1.828 -8.770 18.803 1.00 0.00 C ATOM 116 CD GLN A 8 1.716 -9.505 20.137 1.00 0.00 C ATOM 117 OE1 GLN A 8 1.564 -8.893 21.190 1.00 0.00 O ATOM 118 NE2 GLN A 8 1.790 -10.834 20.106 1.00 0.00 N ATOM 0 H GLN A 8 0.922 -5.004 18.826 1.00 0.00 H new ATOM 0 HA GLN A 8 2.856 -6.430 17.443 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.187 -6.872 19.748 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.519 -7.132 19.279 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.123 -9.199 18.091 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.826 -8.915 18.390 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.917 -11.317 19.217 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.720 -11.369 20.972 1.00 0.00 H new ATOM 127 N ASN A 9 -0.174 -6.985 16.251 1.00 0.00 N ATOM 128 CA ASN A 9 -0.824 -7.618 15.111 1.00 0.00 C ATOM 129 C ASN A 9 -0.262 -7.064 13.805 1.00 0.00 C ATOM 130 O ASN A 9 0.009 -7.831 12.883 1.00 0.00 O ATOM 131 CB ASN A 9 -2.343 -7.421 15.175 1.00 0.00 C ATOM 132 CG ASN A 9 -2.974 -8.193 16.330 1.00 0.00 C ATOM 133 OD1 ASN A 9 -2.295 -8.907 17.063 1.00 0.00 O ATOM 134 ND2 ASN A 9 -4.287 -8.056 16.499 1.00 0.00 N ATOM 0 H ASN A 9 -0.785 -6.411 16.832 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.620 -8.688 15.148 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.566 -6.360 15.284 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.790 -7.746 14.235 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.758 -8.552 17.255 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.822 -7.455 15.872 1.00 0.00 H new ATOM 141 N PHE A 10 -0.085 -5.743 13.717 1.00 0.00 N ATOM 142 CA PHE A 10 0.400 -5.122 12.495 1.00 0.00 C ATOM 143 C PHE A 10 1.833 -5.564 12.212 1.00 0.00 C ATOM 144 O PHE A 10 2.147 -6.001 11.105 1.00 0.00 O ATOM 145 CB PHE A 10 0.304 -3.601 12.639 1.00 0.00 C ATOM 146 CG PHE A 10 0.559 -2.837 11.357 1.00 0.00 C ATOM 147 CD1 PHE A 10 1.869 -2.666 10.884 1.00 0.00 C ATOM 148 CD2 PHE A 10 -0.518 -2.301 10.640 1.00 0.00 C ATOM 149 CE1 PHE A 10 2.097 -1.962 9.694 1.00 0.00 C ATOM 150 CE2 PHE A 10 -0.288 -1.599 9.451 1.00 0.00 C ATOM 151 CZ PHE A 10 1.019 -1.428 8.975 1.00 0.00 C ATOM 0 H PHE A 10 -0.271 -5.090 14.478 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.213 -5.435 11.649 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.688 -3.345 13.010 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.020 -3.273 13.392 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.701 -3.077 11.437 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.526 -2.429 11.005 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.105 -1.831 9.330 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.120 -1.188 8.899 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.195 -0.887 8.057 1.00 0.00 H new ATOM 161 N VAL A 11 2.708 -5.451 13.216 1.00 0.00 N ATOM 162 CA VAL A 11 4.106 -5.815 13.058 1.00 0.00 C ATOM 163 C VAL A 11 4.231 -7.304 12.754 1.00 0.00 C ATOM 164 O VAL A 11 4.844 -7.679 11.758 1.00 0.00 O ATOM 165 CB VAL A 11 4.896 -5.439 14.316 1.00 0.00 C ATOM 166 CG1 VAL A 11 6.362 -5.853 14.173 1.00 0.00 C ATOM 167 CG2 VAL A 11 4.846 -3.927 14.540 1.00 0.00 C ATOM 0 H VAL A 11 2.465 -5.109 14.146 1.00 0.00 H new ATOM 0 HA VAL A 11 4.525 -5.262 12.218 1.00 0.00 H new ATOM 0 HB VAL A 11 4.445 -5.959 15.161 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.907 -5.578 15.076 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.423 -6.931 14.027 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.801 -5.345 13.315 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.411 -3.673 15.437 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.281 -3.417 13.680 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.810 -3.611 14.663 1.00 0.00 H new ATOM 177 N ALA A 12 3.655 -8.158 13.605 1.00 0.00 N ATOM 178 CA ALA A 12 3.745 -9.596 13.440 1.00 0.00 C ATOM 179 C ALA A 12 3.178 -10.046 12.093 1.00 0.00 C ATOM 180 O ALA A 12 3.681 -11.008 11.517 1.00 0.00 O ATOM 181 CB ALA A 12 3.005 -10.276 14.594 1.00 0.00 C ATOM 0 H ALA A 12 3.118 -7.865 14.421 1.00 0.00 H new ATOM 0 HA ALA A 12 4.796 -9.886 13.455 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.067 -11.358 14.479 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.461 -9.985 15.540 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.959 -9.970 14.586 1.00 0.00 H new ATOM 187 N THR A 13 2.143 -9.373 11.576 1.00 0.00 N ATOM 188 CA THR A 13 1.604 -9.732 10.272 1.00 0.00 C ATOM 189 C THR A 13 2.581 -9.349 9.167 1.00 0.00 C ATOM 190 O THR A 13 2.808 -10.136 8.249 1.00 0.00 O ATOM 191 CB THR A 13 0.250 -9.061 10.045 1.00 0.00 C ATOM 192 OG1 THR A 13 -0.681 -9.536 10.993 1.00 0.00 O ATOM 193 CG2 THR A 13 -0.273 -9.397 8.650 1.00 0.00 C ATOM 0 H THR A 13 1.674 -8.592 12.035 1.00 0.00 H new ATOM 0 HA THR A 13 1.460 -10.812 10.247 1.00 0.00 H new ATOM 0 HB THR A 13 0.376 -7.983 10.146 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.464 -9.171 11.876 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.238 -8.914 8.497 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.434 -9.040 7.901 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.388 -10.477 8.555 1.00 0.00 H new ATOM 201 N LEU A 14 3.166 -8.147 9.244 1.00 0.00 N ATOM 202 CA LEU A 14 4.104 -7.691 8.224 1.00 0.00 C ATOM 203 C LEU A 14 5.363 -8.565 8.239 1.00 0.00 C ATOM 204 O LEU A 14 5.973 -8.821 7.203 1.00 0.00 O ATOM 205 CB LEU A 14 4.440 -6.222 8.495 1.00 0.00 C ATOM 206 CG LEU A 14 5.103 -5.509 7.309 1.00 0.00 C ATOM 207 CD1 LEU A 14 4.202 -5.524 6.071 1.00 0.00 C ATOM 208 CD2 LEU A 14 5.336 -4.053 7.708 1.00 0.00 C ATOM 0 H LEU A 14 3.004 -7.480 9.999 1.00 0.00 H new ATOM 0 HA LEU A 14 3.659 -7.777 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.525 -5.693 8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.103 -6.164 9.358 1.00 0.00 H new ATOM 0 HG LEU A 14 6.034 -6.022 7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.703 -5.011 5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.997 -6.555 5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.264 -5.017 6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.807 -3.520 6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.381 -3.583 7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.986 -4.015 8.582 1.00 0.00 H new ATOM 220 N GLU A 15 5.743 -9.022 9.435 1.00 0.00 N ATOM 221 CA GLU A 15 6.880 -9.911 9.649 1.00 0.00 C ATOM 222 C GLU A 15 6.606 -11.270 9.020 1.00 0.00 C ATOM 223 O GLU A 15 7.467 -11.823 8.338 1.00 0.00 O ATOM 224 CB GLU A 15 7.105 -10.087 11.151 1.00 0.00 C ATOM 225 CG GLU A 15 7.592 -8.801 11.816 1.00 0.00 C ATOM 226 CD GLU A 15 9.117 -8.727 11.845 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.701 -8.436 10.779 1.00 0.00 O ATOM 228 OE2 GLU A 15 9.691 -8.962 12.931 1.00 0.00 O ATOM 0 H GLU A 15 5.256 -8.777 10.297 1.00 0.00 H new ATOM 0 HA GLU A 15 7.767 -9.476 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.175 -10.407 11.621 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.835 -10.879 11.317 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.195 -7.940 11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.205 -8.748 12.834 1.00 0.00 H new ATOM 235 N SER A 16 5.406 -11.811 9.245 1.00 0.00 N ATOM 236 CA SER A 16 5.002 -13.066 8.635 1.00 0.00 C ATOM 237 C SER A 16 4.897 -12.911 7.121 1.00 0.00 C ATOM 238 O SER A 16 5.049 -13.887 6.388 1.00 0.00 O ATOM 239 CB SER A 16 3.665 -13.523 9.213 1.00 0.00 C ATOM 240 OG SER A 16 3.815 -13.839 10.583 1.00 0.00 O ATOM 0 H SER A 16 4.699 -11.392 9.849 1.00 0.00 H new ATOM 0 HA SER A 16 5.757 -13.821 8.855 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.919 -12.737 9.092 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.302 -14.394 8.668 1.00 0.00 H new ATOM 0 HG SER A 16 3.801 -13.014 11.112 1.00 0.00 H new ATOM 246 N PHE A 17 4.637 -11.689 6.646 1.00 0.00 N ATOM 247 CA PHE A 17 4.628 -11.406 5.221 1.00 0.00 C ATOM 248 C PHE A 17 6.046 -11.523 4.660 1.00 0.00 C ATOM 249 O PHE A 17 6.258 -12.121 3.606 1.00 0.00 O ATOM 250 CB PHE A 17 4.053 -10.004 4.992 1.00 0.00 C ATOM 251 CG PHE A 17 3.117 -9.900 3.805 1.00 0.00 C ATOM 252 CD1 PHE A 17 3.458 -10.467 2.568 1.00 0.00 C ATOM 253 CD2 PHE A 17 1.897 -9.226 3.947 1.00 0.00 C ATOM 254 CE1 PHE A 17 2.575 -10.372 1.481 1.00 0.00 C ATOM 255 CE2 PHE A 17 1.014 -9.129 2.859 1.00 0.00 C ATOM 256 CZ PHE A 17 1.351 -9.704 1.628 1.00 0.00 C ATOM 0 H PHE A 17 4.430 -10.883 7.235 1.00 0.00 H new ATOM 0 HA PHE A 17 4.001 -12.129 4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.519 -9.692 5.889 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.877 -9.304 4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.402 -10.978 2.452 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.635 -8.780 4.895 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.838 -10.814 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.074 -8.610 2.972 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.670 -9.633 0.793 1.00 0.00 H new ATOM 266 N LYS A 18 7.018 -10.945 5.375 1.00 0.00 N ATOM 267 CA LYS A 18 8.431 -11.000 5.016 1.00 0.00 C ATOM 268 C LYS A 18 8.984 -12.422 5.117 1.00 0.00 C ATOM 269 O LYS A 18 9.866 -12.796 4.349 1.00 0.00 O ATOM 270 CB LYS A 18 9.189 -10.062 5.957 1.00 0.00 C ATOM 271 CG LYS A 18 10.698 -10.092 5.706 1.00 0.00 C ATOM 272 CD LYS A 18 11.409 -9.058 6.583 1.00 0.00 C ATOM 273 CE LYS A 18 11.098 -9.296 8.058 1.00 0.00 C ATOM 274 NZ LYS A 18 11.767 -8.301 8.920 1.00 0.00 N ATOM 0 H LYS A 18 6.838 -10.420 6.230 1.00 0.00 H new ATOM 0 HA LYS A 18 8.555 -10.688 3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.821 -9.044 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.988 -10.345 6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.088 -11.087 5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.902 -9.888 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.485 -9.114 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.095 -8.054 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.020 -9.250 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.419 -10.298 8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.179 -8.116 9.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.692 -8.668 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.901 -7.417 8.390 1.00 0.00 H new ATOM 359 N ILE A 24 0.384 -12.937 -2.595 1.00 0.00 N ATOM 360 CA ILE A 24 0.088 -11.675 -1.928 1.00 0.00 C ATOM 361 C ILE A 24 -1.263 -11.815 -1.226 1.00 0.00 C ATOM 362 O ILE A 24 -2.187 -11.041 -1.464 1.00 0.00 O ATOM 363 CB ILE A 24 0.128 -10.510 -2.936 1.00 0.00 C ATOM 364 CG1 ILE A 24 1.351 -10.573 -3.863 1.00 0.00 C ATOM 365 CG2 ILE A 24 0.122 -9.177 -2.181 1.00 0.00 C ATOM 366 CD1 ILE A 24 2.684 -10.452 -3.123 1.00 0.00 C ATOM 0 HA ILE A 24 0.842 -11.443 -1.176 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.759 -10.595 -3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.333 -11.515 -4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.280 -9.773 -4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.150 -8.354 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.784 -9.104 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.995 -9.123 -1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.504 -10.505 -3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.723 -9.498 -2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.777 -11.267 -2.405 1.00 0.00 H new ATOM 378 N SER A 25 -1.372 -12.817 -0.348 1.00 0.00 N ATOM 379 CA SER A 25 -2.616 -13.158 0.327 1.00 0.00 C ATOM 380 C SER A 25 -3.254 -11.948 0.995 1.00 0.00 C ATOM 381 O SER A 25 -2.586 -11.195 1.703 1.00 0.00 O ATOM 382 CB SER A 25 -2.351 -14.239 1.370 1.00 0.00 C ATOM 383 OG SER A 25 -1.887 -15.418 0.750 1.00 0.00 O ATOM 0 H SER A 25 -0.589 -13.416 -0.087 1.00 0.00 H new ATOM 0 HA SER A 25 -3.313 -13.525 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.614 -13.885 2.090 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.265 -14.448 1.926 1.00 0.00 H new ATOM 0 HG SER A 25 -1.720 -16.102 1.432 1.00 0.00 H new ATOM 389 N GLY A 26 -4.559 -11.770 0.764 1.00 0.00 N ATOM 390 CA GLY A 26 -5.300 -10.629 1.274 1.00 0.00 C ATOM 391 C GLY A 26 -5.496 -10.662 2.785 1.00 0.00 C ATOM 392 O GLY A 26 -5.836 -9.633 3.362 1.00 0.00 O ATOM 0 H GLY A 26 -5.125 -12.418 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.775 -9.713 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.276 -10.592 0.789 1.00 0.00 H new ATOM 396 N SER A 27 -5.293 -11.811 3.440 1.00 0.00 N ATOM 397 CA SER A 27 -5.514 -11.923 4.875 1.00 0.00 C ATOM 398 C SER A 27 -4.517 -11.063 5.640 1.00 0.00 C ATOM 399 O SER A 27 -4.882 -10.385 6.597 1.00 0.00 O ATOM 400 CB SER A 27 -5.397 -13.384 5.312 1.00 0.00 C ATOM 401 OG SER A 27 -5.550 -13.475 6.712 1.00 0.00 O ATOM 0 H SER A 27 -4.976 -12.672 2.994 1.00 0.00 H new ATOM 0 HA SER A 27 -6.519 -11.566 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.158 -13.985 4.813 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.428 -13.786 5.015 1.00 0.00 H new ATOM 0 HG SER A 27 -5.476 -14.412 6.989 1.00 0.00 H new ATOM 407 N ARG A 28 -3.251 -11.089 5.218 1.00 0.00 N ATOM 408 CA ARG A 28 -2.212 -10.301 5.864 1.00 0.00 C ATOM 409 C ARG A 28 -2.468 -8.822 5.609 1.00 0.00 C ATOM 410 O ARG A 28 -2.248 -7.987 6.485 1.00 0.00 O ATOM 411 CB ARG A 28 -0.846 -10.766 5.346 1.00 0.00 C ATOM 412 CG ARG A 28 -0.615 -12.223 5.757 1.00 0.00 C ATOM 413 CD ARG A 28 0.701 -12.762 5.197 1.00 0.00 C ATOM 414 NE ARG A 28 0.917 -14.155 5.608 1.00 0.00 N ATOM 415 CZ ARG A 28 0.291 -15.213 5.074 1.00 0.00 C ATOM 416 NH1 ARG A 28 -0.577 -15.062 4.080 1.00 0.00 N ATOM 417 NH2 ARG A 28 0.535 -16.432 5.544 1.00 0.00 N ATOM 0 H ARG A 28 -2.925 -11.649 4.430 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.222 -10.445 6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.805 -10.672 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.056 -10.133 5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.607 -12.298 6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.442 -12.838 5.401 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.691 -12.698 4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.529 -12.144 5.545 1.00 0.00 H new ATOM 0 HE ARG A 28 1.591 -14.330 6.353 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.775 -14.131 3.713 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.046 -15.877 3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.197 -16.560 6.309 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.060 -17.239 5.140 1.00 0.00 H new ATOM 431 N ILE A 29 -2.941 -8.489 4.403 1.00 0.00 N ATOM 432 CA ILE A 29 -3.313 -7.119 4.085 1.00 0.00 C ATOM 433 C ILE A 29 -4.480 -6.706 4.981 1.00 0.00 C ATOM 434 O ILE A 29 -4.502 -5.585 5.487 1.00 0.00 O ATOM 435 CB ILE A 29 -3.675 -7.007 2.597 1.00 0.00 C ATOM 436 CG1 ILE A 29 -2.477 -7.441 1.742 1.00 0.00 C ATOM 437 CG2 ILE A 29 -4.068 -5.563 2.275 1.00 0.00 C ATOM 438 CD1 ILE A 29 -2.779 -7.366 0.245 1.00 0.00 C ATOM 0 H ILE A 29 -3.072 -9.151 3.638 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.476 -6.445 4.270 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.519 -7.660 2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.621 -6.806 1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.196 -8.461 2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.325 -5.483 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.928 -5.276 2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.231 -4.900 2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.902 -7.682 -0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.618 -8.021 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.033 -6.341 -0.024 1.00 0.00 H new ATOM 450 N LYS A 30 -5.452 -7.603 5.182 1.00 0.00 N ATOM 451 CA LYS A 30 -6.569 -7.369 6.072 1.00 0.00 C ATOM 452 C LYS A 30 -6.111 -7.081 7.500 1.00 0.00 C ATOM 453 O LYS A 30 -6.655 -6.173 8.118 1.00 0.00 O ATOM 454 CB LYS A 30 -7.504 -8.582 6.017 1.00 0.00 C ATOM 455 CG LYS A 30 -8.845 -8.162 5.425 1.00 0.00 C ATOM 456 CD LYS A 30 -8.741 -7.666 3.981 1.00 0.00 C ATOM 457 CE LYS A 30 -10.112 -7.127 3.573 1.00 0.00 C ATOM 458 NZ LYS A 30 -10.116 -6.635 2.182 1.00 0.00 N ATOM 0 H LYS A 30 -5.476 -8.514 4.724 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.106 -6.480 5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.058 -9.371 5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.648 -8.990 7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.532 -9.008 5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.276 -7.374 6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.984 -6.886 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.437 -8.477 3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.859 -7.913 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.399 -6.319 4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.063 -6.278 1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.421 -5.867 2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.867 -7.413 1.538 1.00 0.00 H new ATOM 472 N LYS A 31 -5.135 -7.818 8.046 1.00 0.00 N ATOM 473 CA LYS A 31 -4.655 -7.542 9.398 1.00 0.00 C ATOM 474 C LYS A 31 -3.974 -6.182 9.471 1.00 0.00 C ATOM 475 O LYS A 31 -4.202 -5.427 10.416 1.00 0.00 O ATOM 476 CB LYS A 31 -3.699 -8.643 9.862 1.00 0.00 C ATOM 477 CG LYS A 31 -4.293 -9.426 11.038 1.00 0.00 C ATOM 478 CD LYS A 31 -5.526 -10.236 10.631 1.00 0.00 C ATOM 479 CE LYS A 31 -5.156 -11.282 9.577 1.00 0.00 C ATOM 480 NZ LYS A 31 -6.342 -12.042 9.137 1.00 0.00 N ATOM 0 H LYS A 31 -4.671 -8.597 7.578 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.518 -7.524 10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.493 -9.323 9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.747 -8.202 10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.537 -10.098 11.443 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.563 -8.732 11.834 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.951 -10.728 11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.293 -9.569 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.697 -10.790 8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.414 -11.967 9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.115 -12.568 8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.623 -12.709 9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.125 -11.384 8.948 1.00 0.00 H new ATOM 494 N LEU A 32 -3.138 -5.861 8.480 1.00 0.00 N ATOM 495 CA LEU A 32 -2.446 -4.582 8.449 1.00 0.00 C ATOM 496 C LEU A 32 -3.452 -3.433 8.381 1.00 0.00 C ATOM 497 O LEU A 32 -3.453 -2.548 9.239 1.00 0.00 O ATOM 498 CB LEU A 32 -1.477 -4.562 7.264 1.00 0.00 C ATOM 499 CG LEU A 32 -0.329 -5.567 7.421 1.00 0.00 C ATOM 500 CD1 LEU A 32 0.475 -5.610 6.128 1.00 0.00 C ATOM 501 CD2 LEU A 32 0.603 -5.166 8.557 1.00 0.00 C ATOM 0 H LEU A 32 -2.928 -6.473 7.691 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.870 -4.450 9.365 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.025 -4.783 6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.064 -3.559 7.154 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.758 -6.543 7.646 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.293 -6.323 6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.172 -5.918 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.880 -4.620 5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.407 -5.897 8.644 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.027 -4.184 8.350 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.043 -5.130 9.491 1.00 0.00 H new ATOM 513 N THR A 33 -4.313 -3.443 7.358 1.00 0.00 N ATOM 514 CA THR A 33 -5.359 -2.442 7.207 1.00 0.00 C ATOM 515 C THR A 33 -6.264 -2.384 8.428 1.00 0.00 C ATOM 516 O THR A 33 -6.633 -1.297 8.859 1.00 0.00 O ATOM 517 CB THR A 33 -6.215 -2.769 5.985 1.00 0.00 C ATOM 518 OG1 THR A 33 -6.718 -4.081 6.074 1.00 0.00 O ATOM 519 CG2 THR A 33 -5.398 -2.653 4.703 1.00 0.00 C ATOM 0 H THR A 33 -4.300 -4.144 6.618 1.00 0.00 H new ATOM 0 HA THR A 33 -4.870 -1.475 7.088 1.00 0.00 H new ATOM 0 HB THR A 33 -7.038 -2.055 5.960 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.035 -4.715 5.771 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.029 -2.891 3.847 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.019 -1.636 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.561 -3.350 4.741 1.00 0.00 H new ATOM 527 N THR A 34 -6.623 -3.538 8.992 1.00 0.00 N ATOM 528 CA THR A 34 -7.462 -3.596 10.173 1.00 0.00 C ATOM 529 C THR A 34 -6.850 -2.787 11.308 1.00 0.00 C ATOM 530 O THR A 34 -7.510 -1.890 11.827 1.00 0.00 O ATOM 531 CB THR A 34 -7.671 -5.056 10.584 1.00 0.00 C ATOM 532 OG1 THR A 34 -8.633 -5.650 9.744 1.00 0.00 O ATOM 533 CG2 THR A 34 -8.157 -5.178 12.017 1.00 0.00 C ATOM 0 H THR A 34 -6.338 -4.451 8.639 1.00 0.00 H new ATOM 0 HA THR A 34 -8.433 -3.157 9.944 1.00 0.00 H new ATOM 0 HB THR A 34 -6.707 -5.558 10.496 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.213 -5.910 8.898 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.292 -6.230 12.267 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.421 -4.737 12.690 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.107 -4.655 12.125 1.00 0.00 H new ATOM 541 N TYR A 35 -5.606 -3.071 11.714 1.00 0.00 N ATOM 542 CA TYR A 35 -5.058 -2.358 12.857 1.00 0.00 C ATOM 543 C TYR A 35 -4.843 -0.880 12.545 1.00 0.00 C ATOM 544 O TYR A 35 -4.996 -0.043 13.433 1.00 0.00 O ATOM 545 CB TYR A 35 -3.773 -3.016 13.357 1.00 0.00 C ATOM 546 CG TYR A 35 -3.353 -2.429 14.687 1.00 0.00 C ATOM 547 CD1 TYR A 35 -3.974 -2.877 15.862 1.00 0.00 C ATOM 548 CD2 TYR A 35 -2.361 -1.439 14.749 1.00 0.00 C ATOM 549 CE1 TYR A 35 -3.633 -2.312 17.100 1.00 0.00 C ATOM 550 CE2 TYR A 35 -2.013 -0.873 15.985 1.00 0.00 C ATOM 551 CZ TYR A 35 -2.655 -1.300 17.165 1.00 0.00 C ATOM 552 OH TYR A 35 -2.329 -0.738 18.362 1.00 0.00 O ATOM 0 H TYR A 35 -4.988 -3.760 11.285 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.792 -2.416 13.661 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.925 -4.090 13.460 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.978 -2.875 12.625 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.717 -3.659 15.814 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.866 -1.113 13.846 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.120 -2.652 18.002 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.252 -0.109 16.032 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.637 -0.058 18.226 1.00 0.00 H new ATOM 562 N ALA A 36 -4.492 -0.541 11.300 1.00 0.00 N ATOM 563 CA ALA A 36 -4.395 0.853 10.905 1.00 0.00 C ATOM 564 C ALA A 36 -5.742 1.558 11.065 1.00 0.00 C ATOM 565 O ALA A 36 -5.856 2.527 11.811 1.00 0.00 O ATOM 566 CB ALA A 36 -3.906 0.921 9.457 1.00 0.00 C ATOM 0 H ALA A 36 -4.274 -1.210 10.562 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.683 1.368 11.550 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.829 1.963 9.148 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.928 0.446 9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.613 0.402 8.810 1.00 0.00 H new ATOM 572 N LEU A 37 -6.759 1.062 10.358 1.00 0.00 N ATOM 573 CA LEU A 37 -8.079 1.673 10.284 1.00 0.00 C ATOM 574 C LEU A 37 -8.873 1.535 11.586 1.00 0.00 C ATOM 575 O LEU A 37 -9.876 2.226 11.759 1.00 0.00 O ATOM 576 CB LEU A 37 -8.842 1.032 9.119 1.00 0.00 C ATOM 577 CG LEU A 37 -8.106 1.196 7.784 1.00 0.00 C ATOM 578 CD1 LEU A 37 -8.766 0.316 6.723 1.00 0.00 C ATOM 579 CD2 LEU A 37 -8.126 2.647 7.308 1.00 0.00 C ATOM 0 H LEU A 37 -6.682 0.205 9.810 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.952 2.743 10.121 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.989 -0.029 9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.832 1.482 9.044 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.069 0.896 7.936 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.241 0.434 5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.720 -0.727 7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.808 0.613 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.595 2.726 6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.158 2.972 7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.639 3.280 8.050 1.00 0.00 H new ATOM 591 N ASP A 38 -8.446 0.658 12.502 1.00 0.00 N ATOM 592 CA ASP A 38 -9.146 0.422 13.759 1.00 0.00 C ATOM 593 C ASP A 38 -9.351 1.696 14.582 1.00 0.00 C ATOM 594 O ASP A 38 -10.377 1.823 15.247 1.00 0.00 O ATOM 595 CB ASP A 38 -8.372 -0.604 14.586 1.00 0.00 C ATOM 596 CG ASP A 38 -9.079 -0.897 15.907 1.00 0.00 C ATOM 597 OD1 ASP A 38 -10.134 -1.566 15.860 1.00 0.00 O ATOM 598 OD2 ASP A 38 -8.559 -0.450 16.953 1.00 0.00 O ATOM 0 H ASP A 38 -7.604 0.094 12.387 1.00 0.00 H new ATOM 0 HA ASP A 38 -10.138 0.046 13.507 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.264 -1.527 14.016 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.367 -0.232 14.784 1.00 0.00 H new ATOM 603 N HIS A 39 -8.402 2.641 14.554 1.00 0.00 N ATOM 604 CA HIS A 39 -8.527 3.842 15.374 1.00 0.00 C ATOM 605 C HIS A 39 -7.799 5.063 14.815 1.00 0.00 C ATOM 606 O HIS A 39 -8.103 6.181 15.228 1.00 0.00 O ATOM 607 CB HIS A 39 -8.011 3.514 16.780 1.00 0.00 C ATOM 608 CG HIS A 39 -8.270 4.607 17.785 1.00 0.00 C ATOM 609 ND1 HIS A 39 -7.308 5.190 18.614 1.00 0.00 N ATOM 610 CD2 HIS A 39 -9.483 5.185 18.030 1.00 0.00 C ATOM 611 CE1 HIS A 39 -7.970 6.108 19.338 1.00 0.00 C ATOM 612 NE2 HIS A 39 -9.274 6.128 19.009 1.00 0.00 N ATOM 0 H HIS A 39 -7.558 2.596 13.983 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.581 4.120 15.387 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.482 2.594 17.126 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.939 3.324 16.730 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.421 4.948 17.550 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.516 6.744 20.084 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.985 6.737 19.415 1.00 0.00 H new ATOM 620 N ILE A 40 -6.852 4.874 13.890 1.00 0.00 N ATOM 621 CA ILE A 40 -6.066 5.961 13.317 1.00 0.00 C ATOM 622 C ILE A 40 -5.517 6.889 14.406 1.00 0.00 C ATOM 623 O ILE A 40 -6.009 7.997 14.624 1.00 0.00 O ATOM 624 CB ILE A 40 -6.869 6.697 12.233 1.00 0.00 C ATOM 625 CG1 ILE A 40 -7.339 5.725 11.143 1.00 0.00 C ATOM 626 CG2 ILE A 40 -6.011 7.793 11.592 1.00 0.00 C ATOM 627 CD1 ILE A 40 -6.184 5.155 10.318 1.00 0.00 C ATOM 0 H ILE A 40 -6.611 3.955 13.519 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.191 5.539 12.822 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.742 7.144 12.709 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.888 4.905 11.606 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.034 6.239 10.479 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.591 8.307 10.826 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.704 8.508 12.355 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.127 7.345 11.138 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.577 4.474 9.563 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.649 5.969 9.829 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.501 4.614 10.973 1.00 0.00 H new ATOM 639 N ASP A 41 -4.477 6.415 15.094 1.00 0.00 N ATOM 640 CA ASP A 41 -3.775 7.166 16.126 1.00 0.00 C ATOM 641 C ASP A 41 -2.264 7.077 15.896 1.00 0.00 C ATOM 642 O ASP A 41 -1.466 7.509 16.726 1.00 0.00 O ATOM 643 CB ASP A 41 -4.180 6.633 17.502 1.00 0.00 C ATOM 644 CG ASP A 41 -3.623 7.496 18.634 1.00 0.00 C ATOM 645 OD1 ASP A 41 -3.896 8.718 18.619 1.00 0.00 O ATOM 646 OD2 ASP A 41 -2.929 6.928 19.506 1.00 0.00 O ATOM 0 H ASP A 41 -4.095 5.481 14.944 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.050 8.220 16.080 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.267 6.599 17.573 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.821 5.610 17.615 1.00 0.00 H new ATOM 651 N ILE A 42 -1.881 6.506 14.749 1.00 0.00 N ATOM 652 CA ILE A 42 -0.505 6.293 14.336 1.00 0.00 C ATOM 653 C ILE A 42 -0.428 6.482 12.822 1.00 0.00 C ATOM 654 O ILE A 42 -1.144 5.811 12.081 1.00 0.00 O ATOM 655 CB ILE A 42 -0.057 4.876 14.721 1.00 0.00 C ATOM 656 CG1 ILE A 42 -1.197 3.850 14.627 1.00 0.00 C ATOM 657 CG2 ILE A 42 0.546 4.875 16.124 1.00 0.00 C ATOM 658 CD1 ILE A 42 -0.714 2.436 14.951 1.00 0.00 C ATOM 0 H ILE A 42 -2.554 6.169 14.061 1.00 0.00 H new ATOM 0 HA ILE A 42 0.155 7.004 14.833 1.00 0.00 H new ATOM 0 HB ILE A 42 0.702 4.573 14.000 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.995 4.129 15.315 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.621 3.868 13.623 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.860 3.864 16.385 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.409 5.540 16.150 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.199 5.220 16.841 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.549 1.740 14.874 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.066 2.147 14.246 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.314 2.412 15.965 1.00 0.00 H new ATOM 670 N GLU A 43 0.436 7.390 12.356 1.00 0.00 N ATOM 671 CA GLU A 43 0.606 7.646 10.930 1.00 0.00 C ATOM 672 C GLU A 43 2.033 7.391 10.441 1.00 0.00 C ATOM 673 O GLU A 43 2.257 6.469 9.660 1.00 0.00 O ATOM 674 CB GLU A 43 0.089 9.050 10.583 1.00 0.00 C ATOM 675 CG GLU A 43 0.847 10.236 11.194 1.00 0.00 C ATOM 676 CD GLU A 43 0.877 10.201 12.721 1.00 0.00 C ATOM 677 OE1 GLU A 43 1.821 9.581 13.265 1.00 0.00 O ATOM 678 OE2 GLU A 43 -0.042 10.793 13.327 1.00 0.00 O ATOM 0 H GLU A 43 1.031 7.962 12.955 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.000 6.923 10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.104 9.159 9.499 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.953 9.115 10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.869 10.241 10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.382 11.166 10.866 1.00 0.00 H new ATOM 685 N SER A 44 3.000 8.195 10.889 1.00 0.00 N ATOM 686 CA SER A 44 4.373 8.128 10.397 1.00 0.00 C ATOM 687 C SER A 44 5.054 6.821 10.791 1.00 0.00 C ATOM 688 O SER A 44 6.017 6.405 10.150 1.00 0.00 O ATOM 689 CB SER A 44 5.163 9.318 10.944 1.00 0.00 C ATOM 690 OG SER A 44 4.553 10.526 10.542 1.00 0.00 O ATOM 0 H SER A 44 2.851 8.909 11.602 1.00 0.00 H new ATOM 0 HA SER A 44 4.347 8.166 9.308 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.207 9.267 12.032 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.190 9.281 10.581 1.00 0.00 H new ATOM 0 HG SER A 44 5.063 11.284 10.897 1.00 0.00 H new ATOM 696 N LYS A 45 4.553 6.176 11.843 1.00 0.00 N ATOM 697 CA LYS A 45 5.067 4.908 12.341 1.00 0.00 C ATOM 698 C LYS A 45 4.621 3.783 11.407 1.00 0.00 C ATOM 699 O LYS A 45 5.451 3.006 10.936 1.00 0.00 O ATOM 700 CB LYS A 45 4.599 4.697 13.792 1.00 0.00 C ATOM 701 CG LYS A 45 3.180 5.211 14.039 1.00 0.00 C ATOM 702 CD LYS A 45 3.125 6.696 14.423 1.00 0.00 C ATOM 703 CE LYS A 45 3.601 6.902 15.857 1.00 0.00 C ATOM 704 NZ LYS A 45 3.593 8.332 16.223 1.00 0.00 N ATOM 0 H LYS A 45 3.763 6.530 12.382 1.00 0.00 H new ATOM 0 HA LYS A 45 6.157 4.910 12.353 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.642 3.635 14.032 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.287 5.205 14.468 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.584 5.054 13.140 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.722 4.621 14.833 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.747 7.276 13.742 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.105 7.066 14.317 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.958 6.346 16.539 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.608 6.501 15.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.922 8.441 17.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.225 8.857 15.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.627 8.707 16.138 1.00 0.00 H new ATOM 718 N ILE A 46 3.313 3.699 11.143 1.00 0.00 N ATOM 719 CA ILE A 46 2.752 2.735 10.205 1.00 0.00 C ATOM 720 C ILE A 46 3.361 2.938 8.820 1.00 0.00 C ATOM 721 O ILE A 46 3.755 1.971 8.165 1.00 0.00 O ATOM 722 CB ILE A 46 1.225 2.903 10.182 1.00 0.00 C ATOM 723 CG1 ILE A 46 0.643 2.179 11.403 1.00 0.00 C ATOM 724 CG2 ILE A 46 0.596 2.359 8.895 1.00 0.00 C ATOM 725 CD1 ILE A 46 -0.884 2.234 11.441 1.00 0.00 C ATOM 0 H ILE A 46 2.615 4.302 11.578 1.00 0.00 H new ATOM 0 HA ILE A 46 2.988 1.718 10.518 1.00 0.00 H new ATOM 0 HB ILE A 46 0.993 3.968 10.215 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.966 1.138 11.393 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.043 2.628 12.312 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.484 2.502 8.929 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.006 2.891 8.037 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.818 1.296 8.802 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.245 1.707 12.324 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.210 3.273 11.480 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.288 1.761 10.546 1.00 0.00 H new ATOM 737 N ILE A 47 3.443 4.190 8.366 1.00 0.00 N ATOM 738 CA ILE A 47 3.948 4.479 7.036 1.00 0.00 C ATOM 739 C ILE A 47 5.441 4.204 6.934 1.00 0.00 C ATOM 740 O ILE A 47 5.873 3.576 5.968 1.00 0.00 O ATOM 741 CB ILE A 47 3.581 5.914 6.647 1.00 0.00 C ATOM 742 CG1 ILE A 47 2.077 6.040 6.390 1.00 0.00 C ATOM 743 CG2 ILE A 47 4.344 6.339 5.393 1.00 0.00 C ATOM 744 CD1 ILE A 47 1.514 4.967 5.458 1.00 0.00 C ATOM 0 H ILE A 47 3.166 5.012 8.902 1.00 0.00 H new ATOM 0 HA ILE A 47 3.474 3.808 6.320 1.00 0.00 H new ATOM 0 HB ILE A 47 3.856 6.565 7.477 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.551 5.992 7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.873 7.022 5.963 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.072 7.361 5.130 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.416 6.287 5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.090 5.672 4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.444 5.125 5.326 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.012 5.028 4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.685 3.982 5.892 1.00 0.00 H new ATOM 756 N SER A 48 6.244 4.654 7.902 1.00 0.00 N ATOM 757 CA SER A 48 7.668 4.366 7.864 1.00 0.00 C ATOM 758 C SER A 48 7.887 2.857 7.851 1.00 0.00 C ATOM 759 O SER A 48 8.804 2.371 7.192 1.00 0.00 O ATOM 760 CB SER A 48 8.358 5.000 9.069 1.00 0.00 C ATOM 761 OG SER A 48 9.746 4.749 9.017 1.00 0.00 O ATOM 0 H SER A 48 5.936 5.206 8.702 1.00 0.00 H new ATOM 0 HA SER A 48 8.100 4.789 6.957 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.174 6.074 9.080 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.941 4.596 9.992 1.00 0.00 H new ATOM 0 HG SER A 48 10.182 5.160 9.792 1.00 0.00 H new ATOM 767 N LEU A 49 7.047 2.112 8.579 1.00 0.00 N ATOM 768 CA LEU A 49 7.184 0.668 8.663 1.00 0.00 C ATOM 769 C LEU A 49 6.879 -0.023 7.330 1.00 0.00 C ATOM 770 O LEU A 49 7.634 -0.907 6.937 1.00 0.00 O ATOM 771 CB LEU A 49 6.300 0.147 9.801 1.00 0.00 C ATOM 772 CG LEU A 49 6.418 -1.370 9.982 1.00 0.00 C ATOM 773 CD1 LEU A 49 7.861 -1.803 10.247 1.00 0.00 C ATOM 774 CD2 LEU A 49 5.566 -1.800 11.172 1.00 0.00 C ATOM 0 H LEU A 49 6.268 2.493 9.116 1.00 0.00 H new ATOM 0 HA LEU A 49 8.223 0.426 8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.578 0.644 10.730 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.261 0.407 9.599 1.00 0.00 H new ATOM 0 HG LEU A 49 6.078 -1.840 9.059 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.899 -2.885 10.369 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.489 -1.510 9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.224 -1.322 11.155 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.646 -2.879 11.306 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.917 -1.296 12.072 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.525 -1.533 10.990 1.00 0.00 H new ATOM 786 N ILE A 50 5.803 0.348 6.623 1.00 0.00 N ATOM 787 CA ILE A 50 5.497 -0.320 5.358 1.00 0.00 C ATOM 788 C ILE A 50 6.458 0.100 4.244 1.00 0.00 C ATOM 789 O ILE A 50 6.838 -0.722 3.408 1.00 0.00 O ATOM 790 CB ILE A 50 4.034 -0.120 4.944 1.00 0.00 C ATOM 791 CG1 ILE A 50 3.735 1.355 4.649 1.00 0.00 C ATOM 792 CG2 ILE A 50 3.114 -0.686 6.031 1.00 0.00 C ATOM 793 CD1 ILE A 50 2.285 1.572 4.222 1.00 0.00 C ATOM 0 H ILE A 50 5.151 1.083 6.896 1.00 0.00 H new ATOM 0 HA ILE A 50 5.642 -1.388 5.523 1.00 0.00 H new ATOM 0 HB ILE A 50 3.847 -0.664 4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.944 1.952 5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.401 1.709 3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.074 -0.544 5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.313 -1.750 6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.300 -0.167 6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.119 2.631 4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.082 0.997 3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.618 1.243 5.019 1.00 0.00 H new ATOM 805 N ILE A 51 6.862 1.374 4.218 1.00 0.00 N ATOM 806 CA ILE A 51 7.796 1.841 3.204 1.00 0.00 C ATOM 807 C ILE A 51 9.119 1.107 3.376 1.00 0.00 C ATOM 808 O ILE A 51 9.645 0.525 2.428 1.00 0.00 O ATOM 809 CB ILE A 51 8.020 3.351 3.345 1.00 0.00 C ATOM 810 CG1 ILE A 51 6.740 4.127 3.019 1.00 0.00 C ATOM 811 CG2 ILE A 51 9.147 3.801 2.408 1.00 0.00 C ATOM 812 CD1 ILE A 51 6.893 5.584 3.455 1.00 0.00 C ATOM 0 H ILE A 51 6.558 2.088 4.881 1.00 0.00 H new ATOM 0 HA ILE A 51 7.386 1.641 2.214 1.00 0.00 H new ATOM 0 HB ILE A 51 8.298 3.560 4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.536 4.077 1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.889 3.673 3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.301 4.875 2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.066 3.276 2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.876 3.573 1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.980 6.132 3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.076 5.625 4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.733 6.036 2.927 1.00 0.00 H new ATOM 824 N ASP A 52 9.657 1.138 4.598 1.00 0.00 N ATOM 825 CA ASP A 52 10.911 0.462 4.892 1.00 0.00 C ATOM 826 C ASP A 52 10.766 -1.054 4.794 1.00 0.00 C ATOM 827 O ASP A 52 11.747 -1.754 4.540 1.00 0.00 O ATOM 828 CB ASP A 52 11.386 0.869 6.278 1.00 0.00 C ATOM 829 CG ASP A 52 12.823 0.420 6.529 1.00 0.00 C ATOM 830 OD1 ASP A 52 13.688 0.742 5.686 1.00 0.00 O ATOM 831 OD2 ASP A 52 13.041 -0.245 7.568 1.00 0.00 O ATOM 0 H ASP A 52 9.241 1.623 5.393 1.00 0.00 H new ATOM 0 HA ASP A 52 11.652 0.762 4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.318 1.952 6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.730 0.433 7.032 1.00 0.00 H new ATOM 836 N TYR A 53 9.553 -1.581 4.990 1.00 0.00 N ATOM 837 CA TYR A 53 9.315 -2.994 4.780 1.00 0.00 C ATOM 838 C TYR A 53 9.600 -3.324 3.319 1.00 0.00 C ATOM 839 O TYR A 53 10.233 -4.337 3.025 1.00 0.00 O ATOM 840 CB TYR A 53 7.880 -3.347 5.157 1.00 0.00 C ATOM 841 CG TYR A 53 7.340 -4.584 4.472 1.00 0.00 C ATOM 842 CD1 TYR A 53 7.731 -5.864 4.892 1.00 0.00 C ATOM 843 CD2 TYR A 53 6.438 -4.437 3.406 1.00 0.00 C ATOM 844 CE1 TYR A 53 7.210 -6.998 4.252 1.00 0.00 C ATOM 845 CE2 TYR A 53 5.921 -5.568 2.759 1.00 0.00 C ATOM 846 CZ TYR A 53 6.304 -6.854 3.183 1.00 0.00 C ATOM 847 OH TYR A 53 5.797 -7.953 2.558 1.00 0.00 O ATOM 0 H TYR A 53 8.736 -1.049 5.290 1.00 0.00 H new ATOM 0 HA TYR A 53 9.976 -3.585 5.414 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.826 -3.491 6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.235 -2.502 4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.432 -5.976 5.706 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.142 -3.450 3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.504 -7.984 4.580 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.230 -5.453 1.937 1.00 0.00 H new ATOM 0 HH TYR A 53 5.187 -7.671 1.844 1.00 0.00 H new ATOM 857 N SER A 54 9.135 -2.474 2.395 1.00 0.00 N ATOM 858 CA SER A 54 9.439 -2.652 0.980 1.00 0.00 C ATOM 859 C SER A 54 10.937 -2.493 0.735 1.00 0.00 C ATOM 860 O SER A 54 11.536 -3.261 -0.014 1.00 0.00 O ATOM 861 CB SER A 54 8.683 -1.610 0.161 1.00 0.00 C ATOM 862 OG SER A 54 8.829 -1.889 -1.213 1.00 0.00 O ATOM 0 H SER A 54 8.552 -1.664 2.605 1.00 0.00 H new ATOM 0 HA SER A 54 9.133 -3.654 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.627 -1.615 0.433 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.064 -0.613 0.382 1.00 0.00 H new ATOM 0 HG SER A 54 8.218 -1.322 -1.729 1.00 0.00 H new ATOM 868 N ARG A 55 11.535 -1.486 1.375 1.00 0.00 N ATOM 869 CA ARG A 55 12.934 -1.113 1.215 1.00 0.00 C ATOM 870 C ARG A 55 13.884 -2.267 1.513 1.00 0.00 C ATOM 871 O ARG A 55 14.786 -2.540 0.724 1.00 0.00 O ATOM 872 CB ARG A 55 13.176 0.069 2.159 1.00 0.00 C ATOM 873 CG ARG A 55 14.565 0.697 2.079 1.00 0.00 C ATOM 874 CD ARG A 55 15.615 -0.105 2.850 1.00 0.00 C ATOM 875 NE ARG A 55 16.863 0.650 2.986 1.00 0.00 N ATOM 876 CZ ARG A 55 17.140 1.471 4.004 1.00 0.00 C ATOM 877 NH1 ARG A 55 16.267 1.670 4.990 1.00 0.00 N ATOM 878 NH2 ARG A 55 18.309 2.107 4.040 1.00 0.00 N ATOM 0 H ARG A 55 11.039 -0.891 2.039 1.00 0.00 H new ATOM 0 HA ARG A 55 13.135 -0.841 0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.435 0.839 1.947 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.005 -0.264 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 55 14.866 0.774 1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.525 1.712 2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.230 -0.358 3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.810 -1.045 2.334 1.00 0.00 H new ATOM 0 HE ARG A 55 17.567 0.542 2.256 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.366 1.191 4.978 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.499 2.301 5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 55 18.989 1.967 3.293 1.00 0.00 H new ATOM 0 HH22 ARG A 55 18.525 2.734 4.815 1.00 0.00 H new ATOM 892 N LEU A 56 13.684 -2.940 2.648 1.00 0.00 N ATOM 893 CA LEU A 56 14.588 -3.982 3.118 1.00 0.00 C ATOM 894 C LEU A 56 14.349 -5.341 2.466 1.00 0.00 C ATOM 895 O LEU A 56 15.201 -6.224 2.572 1.00 0.00 O ATOM 896 CB LEU A 56 14.411 -4.130 4.630 1.00 0.00 C ATOM 897 CG LEU A 56 14.927 -2.927 5.421 1.00 0.00 C ATOM 898 CD1 LEU A 56 14.666 -3.161 6.906 1.00 0.00 C ATOM 899 CD2 LEU A 56 16.430 -2.722 5.222 1.00 0.00 C ATOM 0 H LEU A 56 12.889 -2.775 3.265 1.00 0.00 H new ATOM 0 HA LEU A 56 15.598 -3.674 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.354 -4.276 4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.933 -5.027 4.964 1.00 0.00 H new ATOM 0 HG LEU A 56 14.405 -2.040 5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.031 -2.308 7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.595 -3.279 7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.185 -4.063 7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.759 -1.858 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.966 -3.609 5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.637 -2.552 4.165 1.00 0.00 H new ATOM 911 N CYS A 57 13.209 -5.523 1.799 1.00 0.00 N ATOM 912 CA CYS A 57 12.800 -6.848 1.350 1.00 0.00 C ATOM 913 C CYS A 57 12.884 -7.058 -0.168 1.00 0.00 C ATOM 914 O CYS A 57 12.838 -6.094 -0.931 1.00 0.00 O ATOM 915 CB CYS A 57 11.399 -7.142 1.883 1.00 0.00 C ATOM 916 SG CYS A 57 11.431 -7.105 3.694 1.00 0.00 S ATOM 0 H CYS A 57 12.559 -4.774 1.561 1.00 0.00 H new ATOM 0 HA CYS A 57 13.516 -7.561 1.759 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.691 -6.405 1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 57 11.061 -8.117 1.533 1.00 0.00 H new ATOM 0 HG CYS A 57 11.040 -5.938 4.111 1.00 0.00 H new ATOM 922 N PRO A 58 13.008 -8.325 -0.601 1.00 0.00 N ATOM 923 CA PRO A 58 13.034 -8.759 -1.997 1.00 0.00 C ATOM 924 C PRO A 58 11.830 -8.332 -2.840 1.00 0.00 C ATOM 925 O PRO A 58 10.909 -7.668 -2.368 1.00 0.00 O ATOM 926 CB PRO A 58 13.105 -10.287 -1.942 1.00 0.00 C ATOM 927 CG PRO A 58 13.760 -10.573 -0.600 1.00 0.00 C ATOM 928 CD PRO A 58 13.163 -9.475 0.273 1.00 0.00 C ATOM 0 HA PRO A 58 13.883 -8.286 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.114 -10.736 -2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.692 -10.690 -2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.517 -11.569 -0.229 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.847 -10.509 -0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.204 -9.783 0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 58 13.817 -9.243 1.114 1.00 0.00 H new ATOM 936 N ASP A 59 11.862 -8.736 -4.114 1.00 0.00 N ATOM 937 CA ASP A 59 10.895 -8.374 -5.143 1.00 0.00 C ATOM 938 C ASP A 59 9.444 -8.703 -4.779 1.00 0.00 C ATOM 939 O ASP A 59 8.545 -7.887 -5.004 1.00 0.00 O ATOM 940 CB ASP A 59 11.288 -9.105 -6.433 1.00 0.00 C ATOM 941 CG ASP A 59 11.297 -10.622 -6.255 1.00 0.00 C ATOM 942 OD1 ASP A 59 12.222 -11.122 -5.577 1.00 0.00 O ATOM 943 OD2 ASP A 59 10.376 -11.270 -6.800 1.00 0.00 O ATOM 0 H ASP A 59 12.596 -9.350 -4.466 1.00 0.00 H new ATOM 0 HA ASP A 59 10.927 -7.291 -5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.591 -8.838 -7.227 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.276 -8.772 -6.751 1.00 0.00 H new ATOM 948 N SER A 60 9.209 -9.891 -4.218 1.00 0.00 N ATOM 949 CA SER A 60 7.873 -10.310 -3.827 1.00 0.00 C ATOM 950 C SER A 60 7.287 -9.330 -2.825 1.00 0.00 C ATOM 951 O SER A 60 6.070 -9.165 -2.750 1.00 0.00 O ATOM 952 CB SER A 60 7.935 -11.698 -3.195 1.00 0.00 C ATOM 953 OG SER A 60 8.977 -11.755 -2.239 1.00 0.00 O ATOM 0 H SER A 60 9.936 -10.580 -4.026 1.00 0.00 H new ATOM 0 HA SER A 60 7.240 -10.336 -4.714 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.982 -11.932 -2.719 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.099 -12.450 -3.967 1.00 0.00 H new ATOM 0 HG SER A 60 9.006 -12.649 -1.839 1.00 0.00 H new ATOM 959 N HIS A 61 8.161 -8.680 -2.053 1.00 0.00 N ATOM 960 CA HIS A 61 7.734 -7.752 -1.029 1.00 0.00 C ATOM 961 C HIS A 61 7.663 -6.325 -1.571 1.00 0.00 C ATOM 962 O HIS A 61 7.059 -5.474 -0.923 1.00 0.00 O ATOM 963 CB HIS A 61 8.640 -7.906 0.189 1.00 0.00 C ATOM 964 CG HIS A 61 8.658 -9.328 0.689 1.00 0.00 C ATOM 965 ND1 HIS A 61 9.808 -10.093 0.903 1.00 0.00 N ATOM 966 CD2 HIS A 61 7.560 -10.075 1.004 1.00 0.00 C ATOM 967 CE1 HIS A 61 9.370 -11.283 1.346 1.00 0.00 C ATOM 968 NE2 HIS A 61 8.027 -11.300 1.418 1.00 0.00 N ATOM 0 H HIS A 61 9.173 -8.787 -2.126 1.00 0.00 H new ATOM 0 HA HIS A 61 6.718 -7.983 -0.710 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.653 -7.597 -0.069 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.298 -7.244 0.984 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.527 -9.765 0.941 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.009 -12.113 1.609 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.454 -12.086 1.726 1.00 0.00 H new ATOM 976 N LYS A 62 8.258 -6.039 -2.738 1.00 0.00 N ATOM 977 CA LYS A 62 8.026 -4.768 -3.402 1.00 0.00 C ATOM 978 C LYS A 62 6.584 -4.781 -3.890 1.00 0.00 C ATOM 979 O LYS A 62 5.845 -3.820 -3.688 1.00 0.00 O ATOM 980 CB LYS A 62 8.992 -4.592 -4.581 1.00 0.00 C ATOM 981 CG LYS A 62 10.468 -4.623 -4.183 1.00 0.00 C ATOM 982 CD LYS A 62 10.811 -3.505 -3.199 1.00 0.00 C ATOM 983 CE LYS A 62 12.307 -3.503 -2.888 1.00 0.00 C ATOM 984 NZ LYS A 62 13.117 -3.169 -4.077 1.00 0.00 N ATOM 0 H LYS A 62 8.894 -6.668 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 62 8.197 -3.936 -2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.806 -5.380 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.779 -3.644 -5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.704 -5.588 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.088 -4.526 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.520 -2.542 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.243 -3.636 -2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.512 -2.783 -2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.601 -4.483 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.080 -2.913 -3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.158 -3.992 -4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.684 -2.367 -4.578 1.00 0.00 H new ATOM 998 N LEU A 63 6.185 -5.882 -4.539 1.00 0.00 N ATOM 999 CA LEU A 63 4.811 -6.024 -5.007 1.00 0.00 C ATOM 1000 C LEU A 63 3.848 -6.106 -3.818 1.00 0.00 C ATOM 1001 O LEU A 63 2.804 -5.451 -3.806 1.00 0.00 O ATOM 1002 CB LEU A 63 4.718 -7.276 -5.887 1.00 0.00 C ATOM 1003 CG LEU A 63 3.318 -7.481 -6.471 1.00 0.00 C ATOM 1004 CD1 LEU A 63 2.922 -6.329 -7.391 1.00 0.00 C ATOM 1005 CD2 LEU A 63 3.308 -8.777 -7.282 1.00 0.00 C ATOM 0 H LEU A 63 6.790 -6.676 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 63 4.526 -5.153 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.439 -7.198 -6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.994 -8.151 -5.298 1.00 0.00 H new ATOM 0 HG LEU A 63 2.606 -7.526 -5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.923 -6.507 -7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.928 -5.396 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.633 -6.260 -8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.315 -8.935 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.038 -8.707 -8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.564 -9.614 -6.633 1.00 0.00 H new ATOM 1017 N GLY A 64 4.203 -6.914 -2.815 1.00 0.00 N ATOM 1018 CA GLY A 64 3.389 -7.062 -1.623 1.00 0.00 C ATOM 1019 C GLY A 64 3.198 -5.726 -0.920 1.00 0.00 C ATOM 1020 O GLY A 64 2.088 -5.409 -0.493 1.00 0.00 O ATOM 0 H GLY A 64 5.055 -7.475 -2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.418 -7.477 -1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.861 -7.770 -0.942 1.00 0.00 H new ATOM 1024 N SER A 65 4.268 -4.935 -0.793 1.00 0.00 N ATOM 1025 CA SER A 65 4.146 -3.642 -0.149 1.00 0.00 C ATOM 1026 C SER A 65 3.288 -2.705 -0.987 1.00 0.00 C ATOM 1027 O SER A 65 2.520 -1.940 -0.417 1.00 0.00 O ATOM 1028 CB SER A 65 5.512 -3.032 0.131 1.00 0.00 C ATOM 1029 OG SER A 65 5.322 -1.875 0.920 1.00 0.00 O ATOM 0 H SER A 65 5.205 -5.168 -1.122 1.00 0.00 H new ATOM 0 HA SER A 65 3.651 -3.789 0.811 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.149 -3.747 0.651 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.014 -2.778 -0.802 1.00 0.00 H new ATOM 0 HG SER A 65 5.950 -1.886 1.673 1.00 0.00 H new ATOM 1035 N LEU A 66 3.389 -2.741 -2.319 1.00 0.00 N ATOM 1036 CA LEU A 66 2.495 -1.937 -3.138 1.00 0.00 C ATOM 1037 C LEU A 66 1.039 -2.290 -2.848 1.00 0.00 C ATOM 1038 O LEU A 66 0.209 -1.387 -2.803 1.00 0.00 O ATOM 1039 CB LEU A 66 2.789 -2.131 -4.627 1.00 0.00 C ATOM 1040 CG LEU A 66 4.038 -1.381 -5.102 1.00 0.00 C ATOM 1041 CD1 LEU A 66 4.194 -1.618 -6.601 1.00 0.00 C ATOM 1042 CD2 LEU A 66 3.933 0.125 -4.868 1.00 0.00 C ATOM 0 H LEU A 66 4.064 -3.304 -2.837 1.00 0.00 H new ATOM 0 HA LEU A 66 2.664 -0.890 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.914 -3.195 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.929 -1.794 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 66 4.891 -1.753 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.078 -1.093 -6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.303 -2.686 -6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.312 -1.245 -7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.842 0.612 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.075 0.519 -5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.807 0.320 -3.803 1.00 0.00 H new ATOM 1054 N TYR A 67 0.703 -3.572 -2.650 1.00 0.00 N ATOM 1055 CA TYR A 67 -0.674 -3.934 -2.330 1.00 0.00 C ATOM 1056 C TYR A 67 -1.060 -3.509 -0.906 1.00 0.00 C ATOM 1057 O TYR A 67 -2.220 -3.180 -0.658 1.00 0.00 O ATOM 1058 CB TYR A 67 -0.895 -5.434 -2.565 1.00 0.00 C ATOM 1059 CG TYR A 67 -1.185 -5.801 -4.009 1.00 0.00 C ATOM 1060 CD1 TYR A 67 -0.337 -5.356 -5.035 1.00 0.00 C ATOM 1061 CD2 TYR A 67 -2.310 -6.582 -4.322 1.00 0.00 C ATOM 1062 CE1 TYR A 67 -0.619 -5.671 -6.373 1.00 0.00 C ATOM 1063 CE2 TYR A 67 -2.596 -6.900 -5.657 1.00 0.00 C ATOM 1064 CZ TYR A 67 -1.753 -6.439 -6.688 1.00 0.00 C ATOM 1065 OH TYR A 67 -2.036 -6.737 -7.989 1.00 0.00 O ATOM 0 H TYR A 67 1.353 -4.356 -2.705 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.336 -3.387 -3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.009 -5.977 -2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.725 -5.770 -1.943 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.536 -4.769 -4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.956 -6.938 -3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.034 -5.324 -7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.463 -7.499 -5.896 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.202 -6.789 -8.501 1.00 0.00 H new ATOM 1075 N ILE A 68 -0.113 -3.506 0.039 1.00 0.00 N ATOM 1076 CA ILE A 68 -0.383 -3.053 1.399 1.00 0.00 C ATOM 1077 C ILE A 68 -0.578 -1.535 1.421 1.00 0.00 C ATOM 1078 O ILE A 68 -1.527 -1.038 2.027 1.00 0.00 O ATOM 1079 CB ILE A 68 0.765 -3.496 2.317 1.00 0.00 C ATOM 1080 CG1 ILE A 68 0.748 -5.025 2.432 1.00 0.00 C ATOM 1081 CG2 ILE A 68 0.617 -2.869 3.706 1.00 0.00 C ATOM 1082 CD1 ILE A 68 2.060 -5.559 3.002 1.00 0.00 C ATOM 0 H ILE A 68 0.847 -3.813 -0.118 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.306 -3.503 1.766 1.00 0.00 H new ATOM 0 HB ILE A 68 1.712 -3.165 1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.080 -5.333 3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.572 -5.463 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.440 -3.195 4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.634 -1.783 3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.329 -3.182 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.012 -6.646 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.884 -5.272 2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.222 -5.141 3.995 1.00 0.00 H new ATOM 1094 N ILE A 69 0.323 -0.802 0.760 1.00 0.00 N ATOM 1095 CA ILE A 69 0.256 0.644 0.619 1.00 0.00 C ATOM 1096 C ILE A 69 -1.026 1.016 -0.118 1.00 0.00 C ATOM 1097 O ILE A 69 -1.645 2.034 0.181 1.00 0.00 O ATOM 1098 CB ILE A 69 1.485 1.114 -0.172 1.00 0.00 C ATOM 1099 CG1 ILE A 69 2.757 0.902 0.658 1.00 0.00 C ATOM 1100 CG2 ILE A 69 1.355 2.595 -0.539 1.00 0.00 C ATOM 1101 CD1 ILE A 69 4.002 0.977 -0.224 1.00 0.00 C ATOM 0 H ILE A 69 1.135 -1.213 0.300 1.00 0.00 H new ATOM 0 HA ILE A 69 0.250 1.126 1.597 1.00 0.00 H new ATOM 0 HB ILE A 69 1.548 0.527 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.815 1.658 1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.715 -0.068 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.235 2.910 -1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.465 2.742 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.272 3.189 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.891 0.824 0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.952 0.204 -0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.053 1.957 -0.699 1.00 0.00 H new ATOM 1113 N ASP A 70 -1.425 0.188 -1.081 1.00 0.00 N ATOM 1114 CA ASP A 70 -2.652 0.360 -1.833 1.00 0.00 C ATOM 1115 C ASP A 70 -3.861 0.264 -0.916 1.00 0.00 C ATOM 1116 O ASP A 70 -4.722 1.138 -0.961 1.00 0.00 O ATOM 1117 CB ASP A 70 -2.677 -0.698 -2.938 1.00 0.00 C ATOM 1118 CG ASP A 70 -4.029 -0.841 -3.619 1.00 0.00 C ATOM 1119 OD1 ASP A 70 -4.336 0.016 -4.475 1.00 0.00 O ATOM 1120 OD2 ASP A 70 -4.740 -1.810 -3.270 1.00 0.00 O ATOM 0 H ASP A 70 -0.890 -0.634 -1.361 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.692 1.350 -2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.928 -0.445 -3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.391 -1.660 -2.514 1.00 0.00 H new ATOM 1125 N SER A 71 -3.959 -0.773 -0.081 1.00 0.00 N ATOM 1126 CA SER A 71 -5.158 -0.910 0.732 1.00 0.00 C ATOM 1127 C SER A 71 -5.232 0.154 1.823 1.00 0.00 C ATOM 1128 O SER A 71 -6.264 0.806 1.978 1.00 0.00 O ATOM 1129 CB SER A 71 -5.231 -2.318 1.317 1.00 0.00 C ATOM 1130 OG SER A 71 -6.570 -2.574 1.677 1.00 0.00 O ATOM 0 H SER A 71 -3.253 -1.499 0.045 1.00 0.00 H new ATOM 0 HA SER A 71 -6.025 -0.754 0.089 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.886 -3.051 0.588 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.580 -2.403 2.187 1.00 0.00 H new ATOM 0 HG SER A 71 -6.945 -3.253 1.079 1.00 0.00 H new ATOM 1136 N ILE A 72 -4.150 0.342 2.581 1.00 0.00 N ATOM 1137 CA ILE A 72 -4.120 1.347 3.633 1.00 0.00 C ATOM 1138 C ILE A 72 -4.227 2.746 3.028 1.00 0.00 C ATOM 1139 O ILE A 72 -4.877 3.614 3.603 1.00 0.00 O ATOM 1140 CB ILE A 72 -2.843 1.188 4.468 1.00 0.00 C ATOM 1141 CG1 ILE A 72 -2.845 -0.203 5.117 1.00 0.00 C ATOM 1142 CG2 ILE A 72 -2.776 2.274 5.544 1.00 0.00 C ATOM 1143 CD1 ILE A 72 -1.650 -0.421 6.046 1.00 0.00 C ATOM 0 H ILE A 72 -3.286 -0.191 2.482 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.975 1.207 4.295 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.969 1.291 3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.768 -0.335 5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.837 -0.964 4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.865 2.150 6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.772 3.256 5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.643 2.191 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.702 -1.421 6.477 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.725 -0.318 5.479 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.670 0.320 6.845 1.00 0.00 H new ATOM 1155 N GLY A 73 -3.597 2.973 1.872 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.607 4.275 1.219 1.00 0.00 C ATOM 1157 C GLY A 73 -4.994 4.662 0.722 1.00 0.00 C ATOM 1158 O GLY A 73 -5.445 5.775 0.986 1.00 0.00 O ATOM 0 H GLY A 73 -3.069 2.260 1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.249 5.032 1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.913 4.263 0.379 1.00 0.00 H new ATOM 1162 N ARG A 74 -5.675 3.761 0.008 1.00 0.00 N ATOM 1163 CA ARG A 74 -7.021 4.020 -0.491 1.00 0.00 C ATOM 1164 C ARG A 74 -8.011 4.150 0.658 1.00 0.00 C ATOM 1165 O ARG A 74 -8.909 4.988 0.598 1.00 0.00 O ATOM 1166 CB ARG A 74 -7.423 2.886 -1.438 1.00 0.00 C ATOM 1167 CG ARG A 74 -6.916 3.174 -2.852 1.00 0.00 C ATOM 1168 CD ARG A 74 -6.433 1.901 -3.539 1.00 0.00 C ATOM 1169 NE ARG A 74 -7.494 0.934 -3.832 1.00 0.00 N ATOM 1170 CZ ARG A 74 -7.628 -0.196 -3.137 1.00 0.00 C ATOM 1171 NH1 ARG A 74 -6.885 -0.426 -2.060 1.00 0.00 N ATOM 1172 NH2 ARG A 74 -8.507 -1.119 -3.503 1.00 0.00 N ATOM 0 H ARG A 74 -5.310 2.841 -0.237 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.032 4.965 -1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.012 1.942 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.508 2.778 -1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.713 3.627 -3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.102 3.897 -2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.936 2.171 -4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.686 1.422 -2.907 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.149 1.131 -4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.201 0.266 -1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.999 -1.295 -1.538 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.091 -0.969 -4.326 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.599 -1.979 -2.962 1.00 0.00 H new ATOM 1186 N ALA A 75 -7.855 3.330 1.701 1.00 0.00 N ATOM 1187 CA ALA A 75 -8.738 3.404 2.852 1.00 0.00 C ATOM 1188 C ALA A 75 -8.521 4.717 3.610 1.00 0.00 C ATOM 1189 O ALA A 75 -9.486 5.357 4.025 1.00 0.00 O ATOM 1190 CB ALA A 75 -8.495 2.183 3.736 1.00 0.00 C ATOM 0 H ALA A 75 -7.130 2.615 1.766 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.779 3.396 2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.152 2.226 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.703 1.276 3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.456 2.174 4.067 1.00 0.00 H new ATOM 1196 N TYR A 76 -7.260 5.125 3.791 1.00 0.00 N ATOM 1197 CA TYR A 76 -6.939 6.401 4.414 1.00 0.00 C ATOM 1198 C TYR A 76 -7.511 7.538 3.583 1.00 0.00 C ATOM 1199 O TYR A 76 -8.144 8.439 4.128 1.00 0.00 O ATOM 1200 CB TYR A 76 -5.422 6.583 4.500 1.00 0.00 C ATOM 1201 CG TYR A 76 -4.705 5.884 5.637 1.00 0.00 C ATOM 1202 CD1 TYR A 76 -5.372 4.978 6.479 1.00 0.00 C ATOM 1203 CD2 TYR A 76 -3.347 6.165 5.847 1.00 0.00 C ATOM 1204 CE1 TYR A 76 -4.683 4.373 7.542 1.00 0.00 C ATOM 1205 CE2 TYR A 76 -2.655 5.569 6.909 1.00 0.00 C ATOM 1206 CZ TYR A 76 -3.325 4.680 7.769 1.00 0.00 C ATOM 1207 OH TYR A 76 -2.654 4.124 8.818 1.00 0.00 O ATOM 0 H TYR A 76 -6.444 4.581 3.510 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.369 6.411 5.415 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.986 6.237 3.562 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.213 7.650 4.574 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.413 4.747 6.309 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.831 6.845 5.185 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.193 3.672 8.186 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.610 5.791 7.067 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.728 4.446 8.822 1.00 0.00 H new ATOM 1217 N LEU A 77 -7.289 7.494 2.267 1.00 0.00 N ATOM 1218 CA LEU A 77 -7.705 8.552 1.365 1.00 0.00 C ATOM 1219 C LEU A 77 -9.215 8.758 1.431 1.00 0.00 C ATOM 1220 O LEU A 77 -9.674 9.895 1.494 1.00 0.00 O ATOM 1221 CB LEU A 77 -7.234 8.195 -0.045 1.00 0.00 C ATOM 1222 CG LEU A 77 -7.589 9.258 -1.085 1.00 0.00 C ATOM 1223 CD1 LEU A 77 -7.032 10.633 -0.719 1.00 0.00 C ATOM 1224 CD2 LEU A 77 -6.993 8.839 -2.424 1.00 0.00 C ATOM 0 H LEU A 77 -6.814 6.719 1.804 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.253 9.499 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.153 8.052 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.678 7.244 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.675 9.335 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.310 11.354 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.442 10.948 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.946 10.579 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.236 9.586 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.910 8.756 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.406 7.875 -2.720 1.00 0.00 H new ATOM 1236 N ASP A 78 -9.993 7.673 1.418 1.00 0.00 N ATOM 1237 CA ASP A 78 -11.439 7.797 1.501 1.00 0.00 C ATOM 1238 C ASP A 78 -11.856 8.318 2.873 1.00 0.00 C ATOM 1239 O ASP A 78 -12.743 9.164 2.981 1.00 0.00 O ATOM 1240 CB ASP A 78 -12.083 6.435 1.253 1.00 0.00 C ATOM 1241 CG ASP A 78 -13.600 6.569 1.165 1.00 0.00 C ATOM 1242 OD1 ASP A 78 -14.057 7.357 0.307 1.00 0.00 O ATOM 1243 OD2 ASP A 78 -14.289 5.886 1.955 1.00 0.00 O ATOM 0 H ASP A 78 -9.647 6.716 1.352 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.773 8.506 0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.696 6.006 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.819 5.749 2.058 1.00 0.00 H new ATOM 1248 N GLU A 79 -11.211 7.810 3.927 1.00 0.00 N ATOM 1249 CA GLU A 79 -11.577 8.167 5.284 1.00 0.00 C ATOM 1250 C GLU A 79 -11.298 9.644 5.570 1.00 0.00 C ATOM 1251 O GLU A 79 -12.090 10.296 6.250 1.00 0.00 O ATOM 1252 CB GLU A 79 -10.826 7.258 6.260 1.00 0.00 C ATOM 1253 CG GLU A 79 -11.253 7.546 7.700 1.00 0.00 C ATOM 1254 CD GLU A 79 -10.635 6.544 8.676 1.00 0.00 C ATOM 1255 OE1 GLU A 79 -9.512 6.072 8.391 1.00 0.00 O ATOM 1256 OE2 GLU A 79 -11.295 6.260 9.701 1.00 0.00 O ATOM 0 H GLU A 79 -10.435 7.152 3.858 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.650 8.022 5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.024 6.214 6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.752 7.412 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.952 8.557 7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.340 7.505 7.774 1.00 0.00 H new ATOM 1263 N THR A 80 -10.184 10.181 5.061 1.00 0.00 N ATOM 1264 CA THR A 80 -9.863 11.588 5.268 1.00 0.00 C ATOM 1265 C THR A 80 -10.589 12.478 4.258 1.00 0.00 C ATOM 1266 O THR A 80 -10.792 13.661 4.523 1.00 0.00 O ATOM 1267 CB THR A 80 -8.344 11.799 5.282 1.00 0.00 C ATOM 1268 OG1 THR A 80 -8.067 13.101 5.738 1.00 0.00 O ATOM 1269 CG2 THR A 80 -7.698 11.615 3.912 1.00 0.00 C ATOM 0 H THR A 80 -9.499 9.665 4.509 1.00 0.00 H new ATOM 0 HA THR A 80 -10.229 11.892 6.249 1.00 0.00 H new ATOM 0 HB THR A 80 -7.924 11.042 5.944 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.164 13.360 5.460 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.623 11.778 3.992 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.886 10.603 3.554 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.123 12.333 3.210 1.00 0.00 H new ATOM 1277 N ARG A 81 -10.987 11.928 3.104 1.00 0.00 N ATOM 1278 CA ARG A 81 -11.831 12.652 2.154 1.00 0.00 C ATOM 1279 C ARG A 81 -13.224 12.846 2.748 1.00 0.00 C ATOM 1280 O ARG A 81 -13.872 13.855 2.475 1.00 0.00 O ATOM 1281 CB ARG A 81 -11.888 11.870 0.834 1.00 0.00 C ATOM 1282 CG ARG A 81 -12.774 12.579 -0.196 1.00 0.00 C ATOM 1283 CD ARG A 81 -12.780 11.818 -1.521 1.00 0.00 C ATOM 1284 NE ARG A 81 -13.371 10.479 -1.370 1.00 0.00 N ATOM 1285 CZ ARG A 81 -13.976 9.811 -2.359 1.00 0.00 C ATOM 1286 NH1 ARG A 81 -14.085 10.341 -3.576 1.00 0.00 N ATOM 1287 NH2 ARG A 81 -14.476 8.600 -2.133 1.00 0.00 N ATOM 0 H ARG A 81 -10.737 10.984 2.809 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.412 13.638 1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -10.881 11.756 0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.273 10.867 1.019 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.791 12.660 0.187 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.412 13.595 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.342 12.383 -2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -11.760 11.727 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 81 -13.316 10.032 -0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.704 11.268 -3.764 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.549 9.819 -4.320 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.398 8.181 -1.206 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.937 8.090 -2.886 1.00 0.00 H new ATOM 1441 N THR A 93 -1.896 12.308 11.436 1.00 0.00 N ATOM 1442 CA THR A 93 -2.728 11.149 11.128 1.00 0.00 C ATOM 1443 C THR A 93 -2.676 10.721 9.659 1.00 0.00 C ATOM 1444 O THR A 93 -1.758 11.092 8.930 1.00 0.00 O ATOM 1445 CB THR A 93 -4.159 11.372 11.640 1.00 0.00 C ATOM 1446 OG1 THR A 93 -4.449 12.729 11.906 1.00 0.00 O ATOM 1447 CG2 THR A 93 -4.293 10.581 12.940 1.00 0.00 C ATOM 0 HA THR A 93 -2.306 10.299 11.663 1.00 0.00 H new ATOM 0 HB THR A 93 -4.857 11.047 10.868 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.619 13.249 11.894 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.298 10.710 13.342 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.114 9.524 12.743 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.563 10.944 13.664 1.00 0.00 H new ATOM 1455 N CYS A 94 -3.665 9.933 9.219 1.00 0.00 N ATOM 1456 CA CYS A 94 -3.715 9.354 7.882 1.00 0.00 C ATOM 1457 C CYS A 94 -3.506 10.382 6.765 1.00 0.00 C ATOM 1458 O CYS A 94 -2.984 10.031 5.706 1.00 0.00 O ATOM 1459 CB CYS A 94 -5.054 8.635 7.714 1.00 0.00 C ATOM 1460 SG CYS A 94 -6.414 9.801 7.978 1.00 0.00 S ATOM 0 H CYS A 94 -4.465 9.679 9.798 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.887 8.652 7.790 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.122 8.203 6.716 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -5.126 7.811 8.424 1.00 0.00 H new ATOM 0 HG CYS A 94 -7.549 9.184 7.832 1.00 0.00 H new ATOM 1466 N ALA A 95 -3.898 11.642 6.970 1.00 0.00 N ATOM 1467 CA ALA A 95 -3.641 12.679 5.983 1.00 0.00 C ATOM 1468 C ALA A 95 -2.133 12.828 5.777 1.00 0.00 C ATOM 1469 O ALA A 95 -1.651 12.882 4.644 1.00 0.00 O ATOM 1470 CB ALA A 95 -4.258 13.987 6.468 1.00 0.00 C ATOM 0 H ALA A 95 -4.390 11.961 7.805 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.090 12.411 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.071 14.771 5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.333 13.857 6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.812 14.268 7.422 1.00 0.00 H new ATOM 1476 N HIS A 96 -1.382 12.893 6.881 1.00 0.00 N ATOM 1477 CA HIS A 96 0.067 13.008 6.815 1.00 0.00 C ATOM 1478 C HIS A 96 0.703 11.679 6.422 1.00 0.00 C ATOM 1479 O HIS A 96 1.819 11.663 5.911 1.00 0.00 O ATOM 1480 CB HIS A 96 0.617 13.503 8.151 1.00 0.00 C ATOM 1481 CG HIS A 96 0.501 14.996 8.305 1.00 0.00 C ATOM 1482 ND1 HIS A 96 -0.536 15.788 7.802 1.00 0.00 N ATOM 1483 CD2 HIS A 96 1.398 15.793 8.958 1.00 0.00 C ATOM 1484 CE1 HIS A 96 -0.231 17.043 8.163 1.00 0.00 C ATOM 1485 NE2 HIS A 96 0.920 17.077 8.860 1.00 0.00 N ATOM 0 H HIS A 96 -1.759 12.867 7.828 1.00 0.00 H new ATOM 0 HA HIS A 96 0.321 13.736 6.045 1.00 0.00 H new ATOM 0 HB2 HIS A 96 0.081 13.014 8.964 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.664 13.212 8.239 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.304 15.476 9.453 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.829 17.911 7.926 1.00 0.00 H new ATOM 0 HE2 HIS A 96 1.361 17.911 9.248 1.00 0.00 H new ATOM 1493 N ALA A 97 0.009 10.563 6.653 1.00 0.00 N ATOM 1494 CA ALA A 97 0.496 9.266 6.220 1.00 0.00 C ATOM 1495 C ALA A 97 0.562 9.227 4.695 1.00 0.00 C ATOM 1496 O ALA A 97 1.552 8.775 4.123 1.00 0.00 O ATOM 1497 CB ALA A 97 -0.437 8.179 6.743 1.00 0.00 C ATOM 0 H ALA A 97 -0.889 10.538 7.137 1.00 0.00 H new ATOM 0 HA ALA A 97 1.497 9.094 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.075 7.203 6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.463 8.215 7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.441 8.342 6.351 1.00 0.00 H new ATOM 1503 N ILE A 98 -0.498 9.705 4.037 1.00 0.00 N ATOM 1504 CA ILE A 98 -0.523 9.789 2.586 1.00 0.00 C ATOM 1505 C ILE A 98 0.522 10.801 2.127 1.00 0.00 C ATOM 1506 O ILE A 98 1.236 10.561 1.153 1.00 0.00 O ATOM 1507 CB ILE A 98 -1.930 10.193 2.121 1.00 0.00 C ATOM 1508 CG1 ILE A 98 -2.930 9.089 2.486 1.00 0.00 C ATOM 1509 CG2 ILE A 98 -1.942 10.438 0.608 1.00 0.00 C ATOM 1510 CD1 ILE A 98 -4.368 9.554 2.268 1.00 0.00 C ATOM 0 H ILE A 98 -1.348 10.038 4.493 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.285 8.821 2.146 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.218 11.117 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.735 8.204 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.792 8.800 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.946 10.723 0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.244 11.239 0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.645 9.526 0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.055 8.751 2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.568 10.425 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.510 9.819 1.220 1.00 0.00 H new ATOM 1522 N ASN A 99 0.617 11.937 2.827 1.00 0.00 N ATOM 1523 CA ASN A 99 1.599 12.954 2.487 1.00 0.00 C ATOM 1524 C ASN A 99 3.021 12.390 2.563 1.00 0.00 C ATOM 1525 O ASN A 99 3.880 12.776 1.772 1.00 0.00 O ATOM 1526 CB ASN A 99 1.423 14.133 3.448 1.00 0.00 C ATOM 1527 CG ASN A 99 2.199 15.371 3.013 1.00 0.00 C ATOM 1528 OD1 ASN A 99 2.694 15.455 1.893 1.00 0.00 O ATOM 1529 ND2 ASN A 99 2.307 16.348 3.909 1.00 0.00 N ATOM 0 H ASN A 99 0.027 12.168 3.626 1.00 0.00 H new ATOM 0 HA ASN A 99 1.444 13.289 1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.364 14.381 3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.751 13.836 4.444 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.814 17.201 3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.883 16.244 4.831 1.00 0.00 H new ATOM 1536 N THR A 100 3.278 11.479 3.509 1.00 0.00 N ATOM 1537 CA THR A 100 4.598 10.882 3.670 1.00 0.00 C ATOM 1538 C THR A 100 4.861 9.825 2.601 1.00 0.00 C ATOM 1539 O THR A 100 5.967 9.755 2.074 1.00 0.00 O ATOM 1540 CB THR A 100 4.752 10.296 5.075 1.00 0.00 C ATOM 1541 OG1 THR A 100 4.540 11.296 6.044 1.00 0.00 O ATOM 1542 CG2 THR A 100 6.165 9.745 5.249 1.00 0.00 C ATOM 0 H THR A 100 2.582 11.142 4.174 1.00 0.00 H new ATOM 0 HA THR A 100 5.344 11.667 3.543 1.00 0.00 H new ATOM 0 HB THR A 100 4.018 9.500 5.202 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.580 11.480 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.272 9.328 6.250 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.345 8.964 4.510 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.888 10.549 5.111 1.00 0.00 H new ATOM 1550 N LEU A 101 3.867 8.995 2.263 1.00 0.00 N ATOM 1551 CA LEU A 101 4.042 8.051 1.165 1.00 0.00 C ATOM 1552 C LEU A 101 4.299 8.830 -0.127 1.00 0.00 C ATOM 1553 O LEU A 101 4.980 8.336 -1.023 1.00 0.00 O ATOM 1554 CB LEU A 101 2.784 7.201 0.995 1.00 0.00 C ATOM 1555 CG LEU A 101 2.593 6.150 2.087 1.00 0.00 C ATOM 1556 CD1 LEU A 101 1.152 5.649 2.030 1.00 0.00 C ATOM 1557 CD2 LEU A 101 3.532 4.973 1.836 1.00 0.00 C ATOM 0 H LEU A 101 2.957 8.960 2.723 1.00 0.00 H new ATOM 0 HA LEU A 101 4.886 7.398 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.914 7.857 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.823 6.702 0.027 1.00 0.00 H new ATOM 0 HG LEU A 101 2.810 6.587 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.997 4.897 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.470 6.483 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.958 5.208 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.394 4.225 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.309 4.530 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.564 5.322 1.847 1.00 0.00 H new ATOM 1569 N GLY A 102 3.753 10.046 -0.221 1.00 0.00 N ATOM 1570 CA GLY A 102 3.913 10.913 -1.379 1.00 0.00 C ATOM 1571 C GLY A 102 5.368 11.267 -1.689 1.00 0.00 C ATOM 1572 O GLY A 102 5.642 11.759 -2.781 1.00 0.00 O ATOM 0 H GLY A 102 3.181 10.456 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.474 10.425 -2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.353 11.833 -1.213 1.00 0.00 H new ATOM 1576 N GLU A 103 6.301 11.030 -0.759 1.00 0.00 N ATOM 1577 CA GLU A 103 7.705 11.348 -0.993 1.00 0.00 C ATOM 1578 C GLU A 103 8.510 10.105 -1.375 1.00 0.00 C ATOM 1579 O GLU A 103 9.683 10.217 -1.730 1.00 0.00 O ATOM 1580 CB GLU A 103 8.297 12.096 0.210 1.00 0.00 C ATOM 1581 CG GLU A 103 8.890 11.167 1.273 1.00 0.00 C ATOM 1582 CD GLU A 103 9.386 11.968 2.476 1.00 0.00 C ATOM 1583 OE1 GLU A 103 8.531 12.373 3.296 1.00 0.00 O ATOM 1584 OE2 GLU A 103 10.617 12.171 2.568 1.00 0.00 O ATOM 0 H GLU A 103 6.106 10.622 0.155 1.00 0.00 H new ATOM 0 HA GLU A 103 7.768 12.019 -1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.073 12.776 -0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.519 12.708 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.137 10.447 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.714 10.596 0.845 1.00 0.00 H new ATOM 1591 N VAL A 104 7.890 8.920 -1.308 1.00 0.00 N ATOM 1592 CA VAL A 104 8.561 7.659 -1.608 1.00 0.00 C ATOM 1593 C VAL A 104 7.853 6.867 -2.703 1.00 0.00 C ATOM 1594 O VAL A 104 8.460 5.977 -3.293 1.00 0.00 O ATOM 1595 CB VAL A 104 8.656 6.793 -0.355 1.00 0.00 C ATOM 1596 CG1 VAL A 104 9.517 7.468 0.711 1.00 0.00 C ATOM 1597 CG2 VAL A 104 7.264 6.515 0.205 1.00 0.00 C ATOM 0 H VAL A 104 6.910 8.814 -1.044 1.00 0.00 H new ATOM 0 HA VAL A 104 9.558 7.917 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 104 9.125 5.849 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.569 6.831 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.522 7.628 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.076 8.427 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.348 5.896 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.780 7.457 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.668 5.992 -0.543 1.00 0.00 H new ATOM 1607 N ILE A 105 6.582 7.170 -2.989 1.00 0.00 N ATOM 1608 CA ILE A 105 5.814 6.444 -3.984 1.00 0.00 C ATOM 1609 C ILE A 105 6.528 6.418 -5.335 1.00 0.00 C ATOM 1610 O ILE A 105 6.342 5.483 -6.113 1.00 0.00 O ATOM 1611 CB ILE A 105 4.422 7.083 -4.071 1.00 0.00 C ATOM 1612 CG1 ILE A 105 3.440 6.214 -4.857 1.00 0.00 C ATOM 1613 CG2 ILE A 105 4.488 8.479 -4.695 1.00 0.00 C ATOM 1614 CD1 ILE A 105 3.285 4.856 -4.175 1.00 0.00 C ATOM 0 H ILE A 105 6.066 7.924 -2.535 1.00 0.00 H new ATOM 0 HA ILE A 105 5.711 5.400 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 105 4.057 7.169 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.472 6.711 -4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.797 6.079 -5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.485 8.904 -4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.126 9.120 -4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 105 4.900 8.408 -5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.584 4.243 -4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.253 4.357 -4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.907 4.998 -3.162 1.00 0.00 H new ATOM 1626 N GLN A 106 7.344 7.443 -5.608 1.00 0.00 N ATOM 1627 CA GLN A 106 8.114 7.530 -6.838 1.00 0.00 C ATOM 1628 C GLN A 106 9.104 6.376 -6.952 1.00 0.00 C ATOM 1629 O GLN A 106 9.138 5.684 -7.969 1.00 0.00 O ATOM 1630 CB GLN A 106 8.809 8.896 -6.914 1.00 0.00 C ATOM 1631 CG GLN A 106 9.610 9.228 -5.649 1.00 0.00 C ATOM 1632 CD GLN A 106 10.239 10.617 -5.723 1.00 0.00 C ATOM 1633 OE1 GLN A 106 10.317 11.226 -6.786 1.00 0.00 O ATOM 1634 NE2 GLN A 106 10.696 11.127 -4.583 1.00 0.00 N ATOM 0 H GLN A 106 7.484 8.232 -4.977 1.00 0.00 H new ATOM 0 HA GLN A 106 7.439 7.443 -7.689 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.477 8.911 -7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.060 9.671 -7.078 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.955 9.172 -4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.392 8.482 -5.508 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.615 10.594 -3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.127 12.051 -4.574 1.00 0.00 H new ATOM 1643 N GLU A 107 9.917 6.155 -5.916 1.00 0.00 N ATOM 1644 CA GLU A 107 10.919 5.103 -5.948 1.00 0.00 C ATOM 1645 C GLU A 107 10.285 3.735 -5.701 1.00 0.00 C ATOM 1646 O GLU A 107 10.796 2.725 -6.181 1.00 0.00 O ATOM 1647 CB GLU A 107 12.045 5.409 -4.954 1.00 0.00 C ATOM 1648 CG GLU A 107 11.553 5.555 -3.514 1.00 0.00 C ATOM 1649 CD GLU A 107 12.719 5.810 -2.564 1.00 0.00 C ATOM 1650 OE1 GLU A 107 13.150 6.981 -2.480 1.00 0.00 O ATOM 1651 OE2 GLU A 107 13.172 4.832 -1.929 1.00 0.00 O ATOM 0 H GLU A 107 9.896 6.693 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 107 11.362 5.069 -6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.787 4.612 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.547 6.329 -5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.840 6.377 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 107 11.024 4.651 -3.213 1.00 0.00 H new ATOM 1658 N LEU A 108 9.176 3.686 -4.957 1.00 0.00 N ATOM 1659 CA LEU A 108 8.500 2.427 -4.694 1.00 0.00 C ATOM 1660 C LEU A 108 7.947 1.853 -5.995 1.00 0.00 C ATOM 1661 O LEU A 108 8.177 0.683 -6.289 1.00 0.00 O ATOM 1662 CB LEU A 108 7.392 2.627 -3.658 1.00 0.00 C ATOM 1663 CG LEU A 108 7.953 2.943 -2.263 1.00 0.00 C ATOM 1664 CD1 LEU A 108 6.797 3.269 -1.323 1.00 0.00 C ATOM 1665 CD2 LEU A 108 8.719 1.750 -1.688 1.00 0.00 C ATOM 0 H LEU A 108 8.735 4.502 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 108 9.214 1.713 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 108 6.740 3.439 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.779 1.727 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 108 8.635 3.788 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.187 3.494 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.251 4.133 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.125 2.413 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.103 2.006 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.050 0.893 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 108 9.550 1.500 -2.347 1.00 0.00 H new ATOM 1677 N LEU A 109 7.225 2.665 -6.772 1.00 0.00 N ATOM 1678 CA LEU A 109 6.725 2.256 -8.076 1.00 0.00 C ATOM 1679 C LEU A 109 7.877 2.016 -9.029 1.00 0.00 C ATOM 1680 O LEU A 109 8.010 0.898 -9.517 1.00 0.00 O ATOM 1681 CB LEU A 109 5.729 3.294 -8.602 1.00 0.00 C ATOM 1682 CG LEU A 109 4.398 3.208 -7.847 1.00 0.00 C ATOM 1683 CD1 LEU A 109 3.494 4.355 -8.283 1.00 0.00 C ATOM 1684 CD2 LEU A 109 3.675 1.894 -8.148 1.00 0.00 C ATOM 0 H LEU A 109 6.975 3.619 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 109 6.189 1.311 -7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 109 6.149 4.294 -8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.559 3.133 -9.667 1.00 0.00 H new ATOM 0 HG LEU A 109 4.614 3.263 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.547 4.296 -7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.979 5.305 -8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.309 4.285 -9.355 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.734 1.862 -7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.473 1.826 -9.217 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.302 1.056 -7.844 1.00 0.00 H new ATOM 1696 N SER A 110 8.712 3.019 -9.310 1.00 0.00 N ATOM 1697 CA SER A 110 9.736 2.822 -10.328 1.00 0.00 C ATOM 1698 C SER A 110 10.593 1.580 -10.055 1.00 0.00 C ATOM 1699 O SER A 110 10.919 0.857 -10.997 1.00 0.00 O ATOM 1700 CB SER A 110 10.602 4.070 -10.461 1.00 0.00 C ATOM 1701 OG SER A 110 11.383 4.265 -9.301 1.00 0.00 O ATOM 0 H SER A 110 8.701 3.937 -8.866 1.00 0.00 H new ATOM 0 HA SER A 110 9.227 2.649 -11.276 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.252 3.976 -11.331 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.969 4.941 -10.629 1.00 0.00 H new ATOM 0 HG SER A 110 11.932 5.070 -9.408 1.00 0.00 H new ATOM 1707 N ASP A 111 10.971 1.303 -8.798 1.00 0.00 N ATOM 1708 CA ASP A 111 11.757 0.109 -8.510 1.00 0.00 C ATOM 1709 C ASP A 111 10.904 -1.151 -8.625 1.00 0.00 C ATOM 1710 O ASP A 111 11.345 -2.128 -9.221 1.00 0.00 O ATOM 1711 CB ASP A 111 12.396 0.194 -7.120 1.00 0.00 C ATOM 1712 CG ASP A 111 13.475 1.276 -7.029 1.00 0.00 C ATOM 1713 OD1 ASP A 111 14.017 1.658 -8.091 1.00 0.00 O ATOM 1714 OD2 ASP A 111 13.751 1.713 -5.890 1.00 0.00 O ATOM 0 H ASP A 111 10.748 1.879 -7.986 1.00 0.00 H new ATOM 0 HA ASP A 111 12.553 0.052 -9.252 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.621 0.397 -6.381 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.834 -0.772 -6.867 1.00 0.00 H new ATOM 1719 N ALA A 112 9.689 -1.142 -8.066 1.00 0.00 N ATOM 1720 CA ALA A 112 8.763 -2.266 -8.152 1.00 0.00 C ATOM 1721 C ALA A 112 8.486 -2.659 -9.605 1.00 0.00 C ATOM 1722 O ALA A 112 8.294 -3.838 -9.883 1.00 0.00 O ATOM 1723 CB ALA A 112 7.442 -1.886 -7.494 1.00 0.00 C ATOM 0 H ALA A 112 9.323 -0.349 -7.540 1.00 0.00 H new ATOM 0 HA ALA A 112 9.222 -3.113 -7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.749 -2.725 -7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 112 7.615 -1.637 -6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 112 7.015 -1.024 -8.006 1.00 0.00 H new ATOM 1729 N ILE A 113 8.456 -1.710 -10.546 1.00 0.00 N ATOM 1730 CA ILE A 113 8.325 -2.090 -11.946 1.00 0.00 C ATOM 1731 C ILE A 113 9.652 -2.562 -12.538 1.00 0.00 C ATOM 1732 O ILE A 113 9.675 -3.543 -13.276 1.00 0.00 O ATOM 1733 CB ILE A 113 7.754 -0.965 -12.817 1.00 0.00 C ATOM 1734 CG1 ILE A 113 7.048 0.120 -12.001 1.00 0.00 C ATOM 1735 CG2 ILE A 113 6.847 -1.607 -13.855 1.00 0.00 C ATOM 1736 CD1 ILE A 113 5.825 0.787 -12.611 1.00 0.00 C ATOM 0 H ILE A 113 8.519 -0.707 -10.369 1.00 0.00 H new ATOM 0 HA ILE A 113 7.617 -2.919 -11.953 1.00 0.00 H new ATOM 0 HB ILE A 113 8.567 -0.435 -13.314 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.750 -0.319 -11.049 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.777 0.899 -11.778 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.422 -0.834 -14.495 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.425 -2.303 -14.463 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.043 -2.145 -13.353 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.434 1.532 -11.919 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.104 1.272 -13.547 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.060 0.036 -12.806 1.00 0.00 H new ATOM 1748 N ALA A 114 10.759 -1.877 -12.225 1.00 0.00 N ATOM 1749 CA ALA A 114 12.054 -2.233 -12.784 1.00 0.00 C ATOM 1750 C ALA A 114 12.542 -3.587 -12.266 1.00 0.00 C ATOM 1751 O ALA A 114 13.304 -4.272 -12.946 1.00 0.00 O ATOM 1752 CB ALA A 114 13.057 -1.133 -12.443 1.00 0.00 C ATOM 0 H ALA A 114 10.777 -1.079 -11.591 1.00 0.00 H new ATOM 0 HA ALA A 114 11.956 -2.324 -13.866 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.032 -1.389 -12.857 1.00 0.00 H new ATOM 0 HB2 ALA A 114 12.719 -0.188 -12.868 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.137 -1.036 -11.360 1.00 0.00 H new ATOM 1758 N LYS A 115 12.100 -3.969 -11.065 1.00 0.00 N ATOM 1759 CA LYS A 115 12.435 -5.245 -10.451 1.00 0.00 C ATOM 1760 C LYS A 115 11.543 -6.359 -11.001 1.00 0.00 C ATOM 1761 O LYS A 115 11.877 -7.537 -10.875 1.00 0.00 O ATOM 1762 CB LYS A 115 12.314 -5.086 -8.926 1.00 0.00 C ATOM 1763 CG LYS A 115 10.860 -5.006 -8.463 1.00 0.00 C ATOM 1764 CD LYS A 115 10.233 -6.370 -8.180 1.00 0.00 C ATOM 1765 CE LYS A 115 8.720 -6.235 -8.038 1.00 0.00 C ATOM 1766 NZ LYS A 115 8.074 -7.543 -7.820 1.00 0.00 N ATOM 0 H LYS A 115 11.491 -3.388 -10.488 1.00 0.00 H new ATOM 0 HA LYS A 115 13.458 -5.534 -10.692 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.803 -5.928 -8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.842 -4.185 -8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.808 -4.397 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.272 -4.496 -9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.469 -7.062 -8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.655 -6.790 -7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.490 -5.572 -7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.310 -5.772 -8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.072 -7.485 -8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.550 -8.266 -8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.144 -7.801 -6.815 1.00 0.00 H new ATOM 1780 N SER A 116 10.412 -5.985 -11.609 1.00 0.00 N ATOM 1781 CA SER A 116 9.403 -6.931 -12.062 1.00 0.00 C ATOM 1782 C SER A 116 9.740 -7.588 -13.396 1.00 0.00 C ATOM 1783 O SER A 116 10.610 -7.136 -14.140 1.00 0.00 O ATOM 1784 CB SER A 116 8.054 -6.226 -12.213 1.00 0.00 C ATOM 1785 OG SER A 116 7.471 -5.999 -10.953 1.00 0.00 O ATOM 0 H SER A 116 10.176 -5.011 -11.799 1.00 0.00 H new ATOM 0 HA SER A 116 9.366 -7.711 -11.302 1.00 0.00 H new ATOM 0 HB2 SER A 116 8.189 -5.278 -12.733 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.387 -6.833 -12.825 1.00 0.00 H new ATOM 0 HG SER A 116 7.480 -5.039 -10.757 1.00 0.00 H new ATOM 1791 N ASN A 117 9.016 -8.674 -13.675 1.00 0.00 N ATOM 1792 CA ASN A 117 8.995 -9.342 -14.964 1.00 0.00 C ATOM 1793 C ASN A 117 7.706 -8.903 -15.667 1.00 0.00 C ATOM 1794 O ASN A 117 6.945 -8.116 -15.107 1.00 0.00 O ATOM 1795 CB ASN A 117 9.075 -10.854 -14.731 1.00 0.00 C ATOM 1796 CG ASN A 117 9.343 -11.651 -16.001 1.00 0.00 C ATOM 1797 OD1 ASN A 117 9.626 -11.095 -17.059 1.00 0.00 O ATOM 1798 ND2 ASN A 117 9.253 -12.975 -15.907 1.00 0.00 N ATOM 0 H ASN A 117 8.412 -9.121 -12.985 1.00 0.00 H new ATOM 0 HA ASN A 117 9.841 -9.079 -15.599 1.00 0.00 H new ATOM 0 HB2 ASN A 117 9.864 -11.061 -14.008 1.00 0.00 H new ATOM 0 HB3 ASN A 117 8.139 -11.195 -14.288 1.00 0.00 H new ATOM 0 HD21 ASN A 117 9.421 -13.557 -16.728 1.00 0.00 H new ATOM 0 HD22 ASN A 117 9.016 -13.408 -15.014 1.00 0.00 H new ATOM 1805 N GLN A 118 7.440 -9.393 -16.881 1.00 0.00 N ATOM 1806 CA GLN A 118 6.254 -9.001 -17.635 1.00 0.00 C ATOM 1807 C GLN A 118 4.978 -9.149 -16.797 1.00 0.00 C ATOM 1808 O GLN A 118 4.091 -8.297 -16.870 1.00 0.00 O ATOM 1809 CB GLN A 118 6.186 -9.879 -18.888 1.00 0.00 C ATOM 1810 CG GLN A 118 4.946 -9.633 -19.757 1.00 0.00 C ATOM 1811 CD GLN A 118 4.950 -8.283 -20.468 1.00 0.00 C ATOM 1812 OE1 GLN A 118 5.766 -7.408 -20.193 1.00 0.00 O ATOM 1813 NE2 GLN A 118 4.022 -8.098 -21.405 1.00 0.00 N ATOM 0 H GLN A 118 8.037 -10.066 -17.362 1.00 0.00 H new ATOM 0 HA GLN A 118 6.325 -7.949 -17.910 1.00 0.00 H new ATOM 0 HB2 GLN A 118 7.078 -9.705 -19.489 1.00 0.00 H new ATOM 0 HB3 GLN A 118 6.203 -10.926 -18.586 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.873 -10.425 -20.502 1.00 0.00 H new ATOM 0 HG3 GLN A 118 4.056 -9.701 -19.131 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.355 -8.840 -21.616 1.00 0.00 H new ATOM 0 HE22 GLN A 118 3.978 -7.214 -21.912 1.00 0.00 H new ATOM 1822 N ASP A 119 4.877 -10.221 -16.003 1.00 0.00 N ATOM 1823 CA ASP A 119 3.683 -10.481 -15.209 1.00 0.00 C ATOM 1824 C ASP A 119 3.519 -9.466 -14.077 1.00 0.00 C ATOM 1825 O ASP A 119 2.472 -8.828 -13.970 1.00 0.00 O ATOM 1826 CB ASP A 119 3.747 -11.905 -14.659 1.00 0.00 C ATOM 1827 CG ASP A 119 2.451 -12.275 -13.938 1.00 0.00 C ATOM 1828 OD1 ASP A 119 1.464 -12.572 -14.648 1.00 0.00 O ATOM 1829 OD2 ASP A 119 2.463 -12.257 -12.688 1.00 0.00 O ATOM 0 H ASP A 119 5.612 -10.920 -15.897 1.00 0.00 H new ATOM 0 HA ASP A 119 2.809 -10.377 -15.852 1.00 0.00 H new ATOM 0 HB2 ASP A 119 3.926 -12.606 -15.475 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.588 -11.995 -13.971 1.00 0.00 H new ATOM 1834 N HIS A 120 4.542 -9.306 -13.228 1.00 0.00 N ATOM 1835 CA HIS A 120 4.453 -8.375 -12.110 1.00 0.00 C ATOM 1836 C HIS A 120 4.330 -6.941 -12.620 1.00 0.00 C ATOM 1837 O HIS A 120 3.627 -6.131 -12.018 1.00 0.00 O ATOM 1838 CB HIS A 120 5.675 -8.528 -11.200 1.00 0.00 C ATOM 1839 CG HIS A 120 5.718 -9.804 -10.402 1.00 0.00 C ATOM 1840 ND1 HIS A 120 6.673 -10.097 -9.425 1.00 0.00 N ATOM 1841 CD2 HIS A 120 4.852 -10.854 -10.509 1.00 0.00 C ATOM 1842 CE1 HIS A 120 6.358 -11.322 -8.974 1.00 0.00 C ATOM 1843 NE2 HIS A 120 5.271 -11.799 -9.605 1.00 0.00 N ATOM 0 H HIS A 120 5.429 -9.805 -13.297 1.00 0.00 H new ATOM 0 HA HIS A 120 3.560 -8.605 -11.529 1.00 0.00 H new ATOM 0 HB2 HIS A 120 6.575 -8.470 -11.812 1.00 0.00 H new ATOM 0 HB3 HIS A 120 5.703 -7.685 -10.510 1.00 0.00 H new ATOM 0 HD2 HIS A 120 4.004 -10.927 -11.174 1.00 0.00 H new ATOM 0 HE1 HIS A 120 6.904 -11.852 -8.208 1.00 0.00 H new ATOM 0 HE2 HIS A 120 4.833 -12.706 -9.441 1.00 0.00 H new ATOM 1851 N LYS A 121 5.006 -6.616 -13.729 1.00 0.00 N ATOM 1852 CA LYS A 121 4.887 -5.307 -14.354 1.00 0.00 C ATOM 1853 C LYS A 121 3.430 -5.045 -14.680 1.00 0.00 C ATOM 1854 O LYS A 121 2.881 -4.009 -14.318 1.00 0.00 O ATOM 1855 CB LYS A 121 5.685 -5.281 -15.660 1.00 0.00 C ATOM 1856 CG LYS A 121 5.411 -3.994 -16.443 1.00 0.00 C ATOM 1857 CD LYS A 121 5.338 -4.258 -17.944 1.00 0.00 C ATOM 1858 CE LYS A 121 4.046 -4.990 -18.328 1.00 0.00 C ATOM 1859 NZ LYS A 121 3.975 -5.159 -19.790 1.00 0.00 N ATOM 0 H LYS A 121 5.643 -7.251 -14.209 1.00 0.00 H new ATOM 0 HA LYS A 121 5.270 -4.549 -13.671 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.750 -5.359 -15.442 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.421 -6.145 -16.269 1.00 0.00 H new ATOM 0 HG2 LYS A 121 4.474 -3.553 -16.104 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.197 -3.268 -16.238 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.395 -3.312 -18.483 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.198 -4.852 -18.251 1.00 0.00 H new ATOM 0 HE2 LYS A 121 4.012 -5.964 -17.839 1.00 0.00 H new ATOM 0 HE3 LYS A 121 3.182 -4.427 -17.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 3.052 -5.563 -20.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.089 -4.234 -20.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.733 -5.799 -20.103 1.00 0.00 H new ATOM 1873 N GLU A 122 2.811 -6.001 -15.373 1.00 0.00 N ATOM 1874 CA GLU A 122 1.446 -5.843 -15.817 1.00 0.00 C ATOM 1875 C GLU A 122 0.500 -5.703 -14.628 1.00 0.00 C ATOM 1876 O GLU A 122 -0.483 -4.968 -14.698 1.00 0.00 O ATOM 1877 CB GLU A 122 1.089 -7.032 -16.696 1.00 0.00 C ATOM 1878 CG GLU A 122 -0.294 -6.762 -17.261 1.00 0.00 C ATOM 1879 CD GLU A 122 -0.721 -7.863 -18.227 1.00 0.00 C ATOM 1880 OE1 GLU A 122 -0.325 -7.776 -19.411 1.00 0.00 O ATOM 1881 OE2 GLU A 122 -1.440 -8.783 -17.778 1.00 0.00 O ATOM 0 H GLU A 122 3.241 -6.888 -15.634 1.00 0.00 H new ATOM 0 HA GLU A 122 1.342 -4.928 -16.400 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.817 -7.152 -17.498 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.096 -7.956 -16.118 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -1.015 -6.690 -16.446 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -0.298 -5.801 -17.776 1.00 0.00 H new ATOM 1888 N LYS A 123 0.786 -6.405 -13.531 1.00 0.00 N ATOM 1889 CA LYS A 123 0.002 -6.253 -12.317 1.00 0.00 C ATOM 1890 C LYS A 123 0.122 -4.837 -11.754 1.00 0.00 C ATOM 1891 O LYS A 123 -0.869 -4.285 -11.284 1.00 0.00 O ATOM 1892 CB LYS A 123 0.462 -7.267 -11.270 1.00 0.00 C ATOM 1893 CG LYS A 123 -0.001 -8.676 -11.648 1.00 0.00 C ATOM 1894 CD LYS A 123 0.491 -9.713 -10.636 1.00 0.00 C ATOM 1895 CE LYS A 123 -0.076 -9.463 -9.235 1.00 0.00 C ATOM 1896 NZ LYS A 123 -1.549 -9.565 -9.215 1.00 0.00 N ATOM 0 H LYS A 123 1.550 -7.078 -13.463 1.00 0.00 H new ATOM 0 HA LYS A 123 -1.044 -6.433 -12.565 1.00 0.00 H new ATOM 0 HB2 LYS A 123 1.549 -7.245 -11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 123 0.062 -6.996 -10.293 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.090 -8.702 -11.699 1.00 0.00 H new ATOM 0 HG3 LYS A 123 0.370 -8.929 -12.641 1.00 0.00 H new ATOM 0 HD2 LYS A 123 0.204 -10.710 -10.970 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.580 -9.691 -10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 123 0.348 -10.185 -8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 123 0.225 -8.473 -8.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.958 -8.641 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -1.890 -9.855 -10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -1.839 -10.271 -8.509 1.00 0.00 H new ATOM 1910 N ILE A 124 1.318 -4.240 -11.795 1.00 0.00 N ATOM 1911 CA ILE A 124 1.505 -2.876 -11.312 1.00 0.00 C ATOM 1912 C ILE A 124 0.786 -1.904 -12.251 1.00 0.00 C ATOM 1913 O ILE A 124 0.207 -0.909 -11.806 1.00 0.00 O ATOM 1914 CB ILE A 124 3.010 -2.591 -11.183 1.00 0.00 C ATOM 1915 CG1 ILE A 124 3.580 -3.487 -10.076 1.00 0.00 C ATOM 1916 CG2 ILE A 124 3.291 -1.124 -10.841 1.00 0.00 C ATOM 1917 CD1 ILE A 124 5.107 -3.446 -10.036 1.00 0.00 C ATOM 0 H ILE A 124 2.164 -4.681 -12.156 1.00 0.00 H new ATOM 0 HA ILE A 124 1.067 -2.744 -10.323 1.00 0.00 H new ATOM 0 HB ILE A 124 3.483 -2.800 -12.143 1.00 0.00 H new ATOM 0 HG12 ILE A 124 3.183 -3.169 -9.112 1.00 0.00 H new ATOM 0 HG13 ILE A 124 3.249 -4.513 -10.234 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.367 -0.969 -10.760 1.00 0.00 H new ATOM 0 HG22 ILE A 124 2.891 -0.484 -11.627 1.00 0.00 H new ATOM 0 HG23 ILE A 124 2.816 -0.874 -9.892 1.00 0.00 H new ATOM 0 HD11 ILE A 124 5.468 -4.095 -9.238 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.505 -3.790 -10.991 1.00 0.00 H new ATOM 0 HD13 ILE A 124 5.439 -2.424 -9.851 1.00 0.00 H new ATOM 1929 N ARG A 125 0.821 -2.193 -13.558 1.00 0.00 N ATOM 1930 CA ARG A 125 0.101 -1.416 -14.557 1.00 0.00 C ATOM 1931 C ARG A 125 -1.395 -1.465 -14.275 1.00 0.00 C ATOM 1932 O ARG A 125 -2.072 -0.448 -14.394 1.00 0.00 O ATOM 1933 CB ARG A 125 0.409 -1.991 -15.940 1.00 0.00 C ATOM 1934 CG ARG A 125 -0.362 -1.307 -17.075 1.00 0.00 C ATOM 1935 CD ARG A 125 -0.037 0.181 -17.177 1.00 0.00 C ATOM 1936 NE ARG A 125 -0.674 0.770 -18.359 1.00 0.00 N ATOM 1937 CZ ARG A 125 -1.957 1.147 -18.415 1.00 0.00 C ATOM 1938 NH1 ARG A 125 -2.752 1.024 -17.357 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -2.452 1.652 -19.540 1.00 0.00 N ATOM 0 H ARG A 125 1.351 -2.973 -13.946 1.00 0.00 H new ATOM 0 HA ARG A 125 0.418 -0.374 -14.520 1.00 0.00 H new ATOM 0 HB2 ARG A 125 1.478 -1.900 -16.132 1.00 0.00 H new ATOM 0 HB3 ARG A 125 0.174 -3.055 -15.942 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.123 -1.795 -18.020 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.432 -1.433 -16.913 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.379 0.696 -16.279 1.00 0.00 H new ATOM 0 HD3 ARG A 125 1.043 0.320 -17.232 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.102 0.901 -19.193 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -2.386 0.638 -16.487 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -3.728 1.316 -17.415 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -1.854 1.752 -20.360 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -3.430 1.939 -19.583 1.00 0.00 H new ATOM 1953 N MET A 126 -1.908 -2.641 -13.903 1.00 0.00 N ATOM 1954 CA MET A 126 -3.316 -2.818 -13.592 1.00 0.00 C ATOM 1955 C MET A 126 -3.679 -2.080 -12.308 1.00 0.00 C ATOM 1956 O MET A 126 -4.765 -1.515 -12.212 1.00 0.00 O ATOM 1957 CB MET A 126 -3.608 -4.314 -13.457 1.00 0.00 C ATOM 1958 CG MET A 126 -5.097 -4.556 -13.204 1.00 0.00 C ATOM 1959 SD MET A 126 -5.553 -6.297 -13.012 1.00 0.00 S ATOM 1960 CE MET A 126 -4.728 -6.657 -11.438 1.00 0.00 C ATOM 0 H MET A 126 -1.354 -3.492 -13.811 1.00 0.00 H new ATOM 0 HA MET A 126 -3.922 -2.401 -14.396 1.00 0.00 H new ATOM 0 HB2 MET A 126 -3.300 -4.833 -14.365 1.00 0.00 H new ATOM 0 HB3 MET A 126 -3.023 -4.731 -12.637 1.00 0.00 H new ATOM 0 HG2 MET A 126 -5.392 -4.015 -12.305 1.00 0.00 H new ATOM 0 HG3 MET A 126 -5.667 -4.134 -14.032 1.00 0.00 H new ATOM 0 HE1 MET A 126 -5.100 -7.601 -11.040 1.00 0.00 H new ATOM 0 HE2 MET A 126 -3.652 -6.730 -11.599 1.00 0.00 H new ATOM 0 HE3 MET A 126 -4.935 -5.857 -10.727 1.00 0.00 H new ATOM 1970 N LEU A 127 -2.781 -2.078 -11.317 1.00 0.00 N ATOM 1971 CA LEU A 127 -3.010 -1.374 -10.064 1.00 0.00 C ATOM 1972 C LEU A 127 -3.219 0.110 -10.345 1.00 0.00 C ATOM 1973 O LEU A 127 -4.203 0.696 -9.892 1.00 0.00 O ATOM 1974 CB LEU A 127 -1.828 -1.656 -9.127 1.00 0.00 C ATOM 1975 CG LEU A 127 -1.964 -1.035 -7.733 1.00 0.00 C ATOM 1976 CD1 LEU A 127 -1.040 -1.781 -6.772 1.00 0.00 C ATOM 1977 CD2 LEU A 127 -1.547 0.437 -7.714 1.00 0.00 C ATOM 0 H LEU A 127 -1.884 -2.562 -11.366 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.915 -1.724 -9.567 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.713 -2.735 -9.021 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.915 -1.282 -9.591 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.012 -1.109 -7.442 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.127 -1.349 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.323 -2.833 -6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.010 -1.694 -7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.660 0.834 -6.705 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.505 0.524 -8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.178 1.003 -8.400 1.00 0.00 H new ATOM 1989 N LEU A 128 -2.297 0.722 -11.092 1.00 0.00 N ATOM 1990 CA LEU A 128 -2.425 2.136 -11.409 1.00 0.00 C ATOM 1991 C LEU A 128 -3.562 2.386 -12.401 1.00 0.00 C ATOM 1992 O LEU A 128 -4.122 3.481 -12.420 1.00 0.00 O ATOM 1993 CB LEU A 128 -1.084 2.663 -11.925 1.00 0.00 C ATOM 1994 CG LEU A 128 -0.011 2.612 -10.829 1.00 0.00 C ATOM 1995 CD1 LEU A 128 1.329 3.048 -11.414 1.00 0.00 C ATOM 1996 CD2 LEU A 128 -0.348 3.535 -9.659 1.00 0.00 C ATOM 0 H LEU A 128 -1.471 0.267 -11.480 1.00 0.00 H new ATOM 0 HA LEU A 128 -2.685 2.684 -10.503 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.762 2.070 -12.781 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -1.203 3.689 -12.274 1.00 0.00 H new ATOM 0 HG LEU A 128 0.035 1.587 -10.461 1.00 0.00 H new ATOM 0 HD11 LEU A 128 2.094 3.013 -10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 128 1.606 2.377 -12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 128 1.246 4.066 -11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 128 0.437 3.469 -8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.423 4.562 -10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.299 3.233 -9.220 1.00 0.00 H new ATOM 2008 N ASP A 129 -3.914 1.393 -13.225 1.00 0.00 N ATOM 2009 CA ASP A 129 -5.045 1.528 -14.131 1.00 0.00 C ATOM 2010 C ASP A 129 -6.343 1.610 -13.332 1.00 0.00 C ATOM 2011 O ASP A 129 -7.233 2.379 -13.679 1.00 0.00 O ATOM 2012 CB ASP A 129 -5.097 0.340 -15.092 1.00 0.00 C ATOM 2013 CG ASP A 129 -6.031 0.626 -16.265 1.00 0.00 C ATOM 2014 OD1 ASP A 129 -5.558 1.283 -17.218 1.00 0.00 O ATOM 2015 OD2 ASP A 129 -7.199 0.187 -16.197 1.00 0.00 O ATOM 0 H ASP A 129 -3.432 0.496 -13.279 1.00 0.00 H new ATOM 0 HA ASP A 129 -4.925 2.443 -14.711 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -4.095 0.125 -15.464 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -5.437 -0.548 -14.560 1.00 0.00 H new ATOM 2512 N PRO B 160 -7.675 -14.260 1.720 1.00 0.00 N ATOM 2513 CA PRO B 160 -8.677 -14.307 0.671 1.00 0.00 C ATOM 2514 C PRO B 160 -8.195 -13.507 -0.540 1.00 0.00 C ATOM 2515 O PRO B 160 -7.143 -12.871 -0.486 1.00 0.00 O ATOM 2516 CB PRO B 160 -9.922 -13.659 1.287 1.00 0.00 C ATOM 2517 CG PRO B 160 -9.329 -12.662 2.286 1.00 0.00 C ATOM 2518 CD PRO B 160 -8.144 -13.449 2.828 1.00 0.00 C ATOM 0 HA PRO B 160 -8.877 -15.321 0.326 1.00 0.00 H new ATOM 0 HB2 PRO B 160 -10.533 -13.161 0.534 1.00 0.00 H new ATOM 0 HB3 PRO B 160 -10.559 -14.394 1.779 1.00 0.00 H new ATOM 0 HG2 PRO B 160 -9.020 -11.734 1.806 1.00 0.00 H new ATOM 0 HG3 PRO B 160 -10.038 -12.395 3.070 1.00 0.00 H new ATOM 0 HD2 PRO B 160 -7.360 -12.781 3.184 1.00 0.00 H new ATOM 0 HD3 PRO B 160 -8.440 -14.072 3.672 1.00 0.00 H new ATOM 2526 N SER B 161 -8.966 -13.538 -1.630 1.00 0.00 N ATOM 2527 CA SER B 161 -8.635 -12.774 -2.822 1.00 0.00 C ATOM 2528 C SER B 161 -8.720 -11.276 -2.531 1.00 0.00 C ATOM 2529 O SER B 161 -9.572 -10.843 -1.759 1.00 0.00 O ATOM 2530 CB SER B 161 -9.574 -13.154 -3.966 1.00 0.00 C ATOM 2531 OG SER B 161 -9.490 -14.540 -4.220 1.00 0.00 O ATOM 0 H SER B 161 -9.823 -14.086 -1.706 1.00 0.00 H new ATOM 0 HA SER B 161 -7.613 -13.008 -3.120 1.00 0.00 H new ATOM 0 HB2 SER B 161 -10.599 -12.884 -3.711 1.00 0.00 H new ATOM 0 HB3 SER B 161 -9.311 -12.595 -4.864 1.00 0.00 H new ATOM 0 HG SER B 161 -10.096 -14.776 -4.953 1.00 0.00 H new ATOM 2537 N TYR B 162 -7.836 -10.488 -3.153 1.00 0.00 N ATOM 2538 CA TYR B 162 -7.819 -9.044 -2.970 1.00 0.00 C ATOM 2539 C TYR B 162 -7.282 -8.335 -4.207 1.00 0.00 C ATOM 2540 O TYR B 162 -6.360 -8.822 -4.857 1.00 0.00 O ATOM 2541 CB TYR B 162 -6.955 -8.683 -1.760 1.00 0.00 C ATOM 2542 CG TYR B 162 -6.776 -7.191 -1.637 1.00 0.00 C ATOM 2543 CD1 TYR B 162 -5.723 -6.560 -2.319 1.00 0.00 C ATOM 2544 CD2 TYR B 162 -7.658 -6.437 -0.855 1.00 0.00 C ATOM 2545 CE1 TYR B 162 -5.583 -5.171 -2.267 1.00 0.00 C ATOM 2546 CE2 TYR B 162 -7.520 -5.046 -0.791 1.00 0.00 C ATOM 2547 CZ TYR B 162 -6.498 -4.406 -1.520 1.00 0.00 C ATOM 2548 OH TYR B 162 -6.392 -3.050 -1.500 1.00 0.00 O ATOM 0 H TYR B 162 -7.120 -10.836 -3.791 1.00 0.00 H new ATOM 0 HA TYR B 162 -8.845 -8.715 -2.804 1.00 0.00 H new ATOM 0 HB2 TYR B 162 -7.417 -9.072 -0.852 1.00 0.00 H new ATOM 0 HB3 TYR B 162 -5.980 -9.162 -1.852 1.00 0.00 H new ATOM 0 HD1 TYR B 162 -5.019 -7.151 -2.886 1.00 0.00 H new ATOM 0 HD2 TYR B 162 -8.445 -6.928 -0.301 1.00 0.00 H new ATOM 0 HE1 TYR B 162 -4.777 -4.687 -2.797 1.00 0.00 H new ATOM 0 HE2 TYR B 162 -8.196 -4.463 -0.183 1.00 0.00 H new ATOM 0 HH TYR B 162 -5.752 -2.762 -2.184 1.00 0.00 H new ATOM 2558 N SER B 163 -7.863 -7.176 -4.532 1.00 0.00 N ATOM 2559 CA SER B 163 -7.423 -6.370 -5.659 1.00 0.00 C ATOM 2560 C SER B 163 -7.540 -4.873 -5.353 1.00 0.00 C ATOM 2561 O SER B 163 -8.283 -4.464 -4.458 1.00 0.00 O ATOM 2562 CB SER B 163 -8.264 -6.702 -6.894 1.00 0.00 C ATOM 2563 OG SER B 163 -9.532 -6.083 -6.784 1.00 0.00 O ATOM 0 H SER B 163 -8.649 -6.777 -4.019 1.00 0.00 H new ATOM 0 HA SER B 163 -6.375 -6.602 -5.849 1.00 0.00 H new ATOM 0 HB2 SER B 163 -7.757 -6.358 -7.795 1.00 0.00 H new ATOM 0 HB3 SER B 163 -8.382 -7.782 -6.987 1.00 0.00 H new ATOM 0 HG SER B 163 -9.698 -5.534 -7.579 1.00 0.00 H new ATOM 2569 N PRO B 164 -6.803 -4.039 -6.101 1.00 0.00 N ATOM 2570 CA PRO B 164 -6.877 -2.587 -6.027 1.00 0.00 C ATOM 2571 C PRO B 164 -8.281 -2.035 -6.280 1.00 0.00 C ATOM 2572 O PRO B 164 -8.480 -0.823 -6.227 1.00 0.00 O ATOM 2573 CB PRO B 164 -5.898 -2.078 -7.087 1.00 0.00 C ATOM 2574 CG PRO B 164 -4.914 -3.233 -7.254 1.00 0.00 C ATOM 2575 CD PRO B 164 -5.820 -4.447 -7.087 1.00 0.00 C ATOM 0 HA PRO B 164 -6.626 -2.251 -5.021 1.00 0.00 H new ATOM 0 HB2 PRO B 164 -6.406 -1.846 -8.023 1.00 0.00 H new ATOM 0 HB3 PRO B 164 -5.395 -1.167 -6.763 1.00 0.00 H new ATOM 0 HG2 PRO B 164 -4.428 -3.217 -8.230 1.00 0.00 H new ATOM 0 HG3 PRO B 164 -4.124 -3.207 -6.504 1.00 0.00 H new ATOM 0 HD2 PRO B 164 -6.294 -4.720 -8.030 1.00 0.00 H new ATOM 0 HD3 PRO B 164 -5.258 -5.317 -6.749 1.00 0.00 H new ATOM 2583 N THR B 165 -9.261 -2.907 -6.553 1.00 0.00 N ATOM 2584 CA THR B 165 -10.629 -2.468 -6.781 1.00 0.00 C ATOM 2585 C THR B 165 -11.242 -1.912 -5.500 1.00 0.00 C ATOM 2586 O THR B 165 -11.959 -0.912 -5.557 1.00 0.00 O ATOM 2587 CB THR B 165 -11.462 -3.638 -7.312 1.00 0.00 C ATOM 2588 OG1 THR B 165 -10.811 -4.221 -8.421 1.00 0.00 O ATOM 2589 CG2 THR B 165 -12.851 -3.169 -7.737 1.00 0.00 C ATOM 0 H THR B 165 -9.125 -3.916 -6.619 1.00 0.00 H new ATOM 0 HA THR B 165 -10.623 -1.669 -7.522 1.00 0.00 H new ATOM 0 HB THR B 165 -11.568 -4.372 -6.513 1.00 0.00 H new ATOM 0 HG1 THR B 165 -11.346 -4.970 -8.757 1.00 0.00 H new ATOM 0 HG21 THR B 165 -13.423 -4.018 -8.110 1.00 0.00 H new ATOM 0 HG22 THR B 165 -13.366 -2.733 -6.881 1.00 0.00 H new ATOM 0 HG23 THR B 165 -12.757 -2.420 -8.524 1.00 0.00 H new