USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 MET CE :methyl 174:sc= -3.42 (180deg=-2.89) USER MOD Set 1.2: A 110 ASN : amide:sc= -3.77 K(o=-7.2,f=-5.9!) USER MOD Set 2.1: A 36 GLN : amide:sc= 0.00209 K(o=0.0037,f=-0.73) USER MOD Set 2.2: A 38 GLN : amide:sc= 0.00159 X(o=0.0037,f=-0.29) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -2.03 K(o=-1.1,f=-19!) USER MOD Set 3.2: A 60 SER OG : rot -162:sc= -0.166 USER MOD Set 3.3: A 90 THR OG1 : rot 114:sc= -1.88! USER MOD Set 3.4: A 92 SER OG : rot -156:sc= 1.62! USER MOD Set 3.5: A 105 THR OG1 : rot 156:sc= 1.35 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -134:sc= -2.87! USER MOD Single : A 17 ASN : amide:sc= -4.25 K(o=-4.3,f=-17!) USER MOD Single : A 23 THR OG1 : rot 140:sc= 1.2 USER MOD Single : A 27 HIS : no HD1:sc= -0.124 X(o=-0.12,f=0.0052) USER MOD Single : A 29 CYS SG : rot 68:sc= -3.38 USER MOD Single : A 32 THR OG1 : rot 70:sc= 0.696 USER MOD Single : A 35 TYR OH : rot 124:sc= 0.819 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -4.29! C(o=-4.3!,f=-7!) USER MOD Single : A 49 CYS SG : rot -55:sc= -3.6! USER MOD Single : A 50 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-5.9!) USER MOD Single : A 54 GLN : amide:sc= -2.41! C(o=-2.4!,f=-3.7!) USER MOD Single : A 55 GLN : amide:sc= -0.0702 X(o=-0.07,f=-0.076) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 63 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.09) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= -0.0354 (180deg=-0.276) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.91 K(o=-1.9,f=-0.23) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.442 USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= -0.0126 (180deg=-0.184) USER MOD Single : A 82 ASN : amide:sc= -0.902 K(o=-0.9,f=0) USER MOD Single : A 83 GLN : amide:sc= -2.4! K(o=-2.4!,f=0.43) USER MOD Single : A 88 MET CE :methyl 132:sc= -8.37! (180deg=-11.4!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -3.51! K(o=-3.5!,f=-1.3) USER MOD Single : A 94 THR OG1 : rot 17:sc= 0.106 USER MOD Single : A 96 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.028) USER MOD Single : A 108 CYS SG : rot 42:sc= 1.12 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 8 -14.315 -6.563 5.980 1.00 0.00 N ATOM 91 CA GLN A 8 -13.750 -5.231 6.161 1.00 0.00 C ATOM 92 C GLN A 8 -12.237 -5.298 6.363 1.00 0.00 C ATOM 93 O GLN A 8 -11.715 -6.275 6.900 1.00 0.00 O ATOM 94 CB GLN A 8 -14.406 -4.520 7.339 1.00 0.00 C ATOM 95 CG GLN A 8 -15.925 -4.539 7.289 1.00 0.00 C ATOM 96 CD GLN A 8 -16.556 -3.734 8.408 1.00 0.00 C ATOM 97 OE1 GLN A 8 -16.806 -4.251 9.496 1.00 0.00 O ATOM 98 NE2 GLN A 8 -16.824 -2.460 8.141 1.00 0.00 N ATOM 0 HA GLN A 8 -13.950 -4.661 5.254 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.075 -4.988 8.266 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.064 -3.485 7.365 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.258 -4.143 6.330 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.274 -5.570 7.347 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.599 -2.073 7.224 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.254 -1.869 8.853 1.00 0.00 H new ATOM 107 N PRO A 9 -11.519 -4.247 5.932 1.00 0.00 N ATOM 108 CA PRO A 9 -10.066 -4.165 6.033 1.00 0.00 C ATOM 109 C PRO A 9 -9.568 -3.463 7.293 1.00 0.00 C ATOM 110 O PRO A 9 -10.262 -3.384 8.307 1.00 0.00 O ATOM 111 CB PRO A 9 -9.735 -3.314 4.822 1.00 0.00 C ATOM 112 CG PRO A 9 -10.836 -2.316 4.801 1.00 0.00 C ATOM 113 CD PRO A 9 -12.068 -3.045 5.281 1.00 0.00 C ATOM 0 HA PRO A 9 -9.604 -5.152 6.076 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.760 -2.837 4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.710 -3.906 3.907 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.607 -1.469 5.448 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.984 -1.919 3.797 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.648 -2.440 5.978 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.731 -3.302 4.455 1.00 0.00 H new ATOM 121 N THR A 10 -8.347 -2.949 7.183 1.00 0.00 N ATOM 122 CA THR A 10 -7.666 -2.231 8.253 1.00 0.00 C ATOM 123 C THR A 10 -6.253 -1.904 7.789 1.00 0.00 C ATOM 124 O THR A 10 -5.746 -0.803 7.991 1.00 0.00 O ATOM 125 CB THR A 10 -7.604 -3.054 9.556 1.00 0.00 C ATOM 126 OG1 THR A 10 -6.778 -2.392 10.518 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.070 -4.451 9.294 1.00 0.00 C ATOM 0 H THR A 10 -7.793 -3.022 6.330 1.00 0.00 H new ATOM 0 HA THR A 10 -8.227 -1.322 8.470 1.00 0.00 H new ATOM 0 HB THR A 10 -8.617 -3.141 9.949 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.746 -2.922 11.342 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.037 -5.009 10.230 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.723 -4.964 8.588 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.066 -4.384 8.876 1.00 0.00 H new ATOM 135 N GLU A 11 -5.637 -2.899 7.163 1.00 0.00 N ATOM 136 CA GLU A 11 -4.296 -2.789 6.610 1.00 0.00 C ATOM 137 C GLU A 11 -4.020 -3.999 5.745 1.00 0.00 C ATOM 138 O GLU A 11 -4.291 -5.131 6.144 1.00 0.00 O ATOM 139 CB GLU A 11 -3.243 -2.681 7.703 1.00 0.00 C ATOM 140 CG GLU A 11 -3.255 -3.849 8.664 1.00 0.00 C ATOM 141 CD GLU A 11 -2.195 -3.735 9.742 1.00 0.00 C ATOM 142 OE1 GLU A 11 -2.440 -3.031 10.744 1.00 0.00 O ATOM 143 OE2 GLU A 11 -1.119 -4.348 9.584 1.00 0.00 O ATOM 0 H GLU A 11 -6.061 -3.816 7.024 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.242 -1.878 6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.258 -2.609 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.402 -1.759 8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.237 -3.918 9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.102 -4.773 8.107 1.00 0.00 H new ATOM 150 N PHE A 12 -3.478 -3.769 4.567 1.00 0.00 N ATOM 151 CA PHE A 12 -3.186 -4.868 3.666 1.00 0.00 C ATOM 152 C PHE A 12 -1.706 -4.899 3.337 1.00 0.00 C ATOM 153 O PHE A 12 -1.116 -3.892 2.942 1.00 0.00 O ATOM 154 CB PHE A 12 -4.054 -4.809 2.400 1.00 0.00 C ATOM 155 CG PHE A 12 -3.637 -3.800 1.365 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.712 -4.136 0.390 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.197 -2.532 1.344 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.349 -3.224 -0.583 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.840 -1.618 0.370 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.915 -1.967 -0.594 1.00 0.00 C ATOM 0 H PHE A 12 -3.233 -2.844 4.213 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.438 -5.800 4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.056 -5.796 1.937 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.081 -4.594 2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.270 -5.121 0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.920 -2.255 2.097 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.622 -3.496 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.284 -0.633 0.363 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.635 -1.255 -1.357 1.00 0.00 H new ATOM 170 N ILE A 13 -1.113 -6.066 3.519 1.00 0.00 N ATOM 171 CA ILE A 13 0.303 -6.244 3.279 1.00 0.00 C ATOM 172 C ILE A 13 0.610 -6.444 1.806 1.00 0.00 C ATOM 173 O ILE A 13 0.352 -7.506 1.249 1.00 0.00 O ATOM 174 CB ILE A 13 0.848 -7.452 4.053 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.453 -7.368 5.526 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.357 -7.520 3.901 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.236 -8.721 6.166 1.00 0.00 C ATOM 0 H ILE A 13 -1.596 -6.907 3.834 1.00 0.00 H new ATOM 0 HA ILE A 13 0.787 -5.330 3.624 1.00 0.00 H new ATOM 0 HB ILE A 13 0.414 -8.363 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.231 -6.835 6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.460 -6.780 5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.740 -8.379 4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.612 -7.622 2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.804 -6.607 4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.042 -8.589 7.212 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.562 -9.247 5.642 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.155 -9.304 6.106 1.00 0.00 H new ATOM 189 N SER A 14 1.161 -5.420 1.180 1.00 0.00 N ATOM 190 CA SER A 14 1.530 -5.511 -0.218 1.00 0.00 C ATOM 191 C SER A 14 3.029 -5.356 -0.356 1.00 0.00 C ATOM 192 O SER A 14 3.615 -4.391 0.133 1.00 0.00 O ATOM 193 CB SER A 14 0.818 -4.440 -1.040 1.00 0.00 C ATOM 194 OG SER A 14 0.592 -4.884 -2.362 1.00 0.00 O ATOM 0 H SER A 14 1.362 -4.520 1.616 1.00 0.00 H new ATOM 0 HA SER A 14 1.227 -6.487 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.132 -4.188 -0.570 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.418 -3.530 -1.056 1.00 0.00 H new ATOM 0 HG SER A 14 0.841 -4.176 -2.992 1.00 0.00 H new ATOM 200 N ARG A 15 3.646 -6.311 -1.025 1.00 0.00 N ATOM 201 CA ARG A 15 5.072 -6.274 -1.243 1.00 0.00 C ATOM 202 C ARG A 15 5.342 -5.635 -2.580 1.00 0.00 C ATOM 203 O ARG A 15 4.474 -5.629 -3.451 1.00 0.00 O ATOM 204 CB ARG A 15 5.671 -7.676 -1.182 1.00 0.00 C ATOM 205 CG ARG A 15 6.029 -8.113 0.227 1.00 0.00 C ATOM 206 CD ARG A 15 6.615 -9.514 0.249 1.00 0.00 C ATOM 207 NE ARG A 15 5.613 -10.528 -0.058 1.00 0.00 N ATOM 208 CZ ARG A 15 5.495 -11.673 0.606 1.00 0.00 C ATOM 209 NH1 ARG A 15 6.321 -11.952 1.607 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.551 -12.542 0.271 1.00 0.00 N ATOM 0 H ARG A 15 3.177 -7.123 -1.427 1.00 0.00 H new ATOM 0 HA ARG A 15 5.543 -5.686 -0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.961 -8.386 -1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.565 -7.709 -1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.746 -7.412 0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.139 -8.081 0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.429 -9.578 -0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.043 -9.713 1.231 1.00 0.00 H new ATOM 0 HE ARG A 15 4.966 -10.348 -0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.049 -11.287 1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.228 -12.832 2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.914 -12.332 -0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.462 -13.420 0.782 1.00 0.00 H new ATOM 224 N HIS A 16 6.532 -5.093 -2.746 1.00 0.00 N ATOM 225 CA HIS A 16 6.873 -4.431 -3.988 1.00 0.00 C ATOM 226 C HIS A 16 8.360 -4.136 -4.067 1.00 0.00 C ATOM 227 O HIS A 16 9.101 -4.346 -3.107 1.00 0.00 O ATOM 228 CB HIS A 16 6.098 -3.121 -4.083 1.00 0.00 C ATOM 229 CG HIS A 16 6.379 -2.200 -2.939 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.636 -1.711 -2.671 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.570 -1.702 -1.974 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.597 -0.954 -1.597 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.353 -0.929 -1.153 1.00 0.00 N ATOM 0 H HIS A 16 7.272 -5.098 -2.044 1.00 0.00 H new ATOM 0 HA HIS A 16 6.611 -5.093 -4.813 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.351 -2.621 -5.018 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.030 -3.337 -4.116 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.472 -1.906 -3.222 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.510 -1.879 -1.870 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.438 -0.441 -1.154 1.00 0.00 H new ATOM 242 N ASN A 17 8.786 -3.645 -5.220 1.00 0.00 N ATOM 243 CA ASN A 17 10.176 -3.277 -5.419 1.00 0.00 C ATOM 244 C ASN A 17 10.365 -1.836 -4.970 1.00 0.00 C ATOM 245 O ASN A 17 9.398 -1.179 -4.593 1.00 0.00 O ATOM 246 CB ASN A 17 10.581 -3.442 -6.885 1.00 0.00 C ATOM 247 CG ASN A 17 9.646 -2.718 -7.833 1.00 0.00 C ATOM 248 OD1 ASN A 17 8.953 -1.779 -7.445 1.00 0.00 O ATOM 249 ND2 ASN A 17 9.633 -3.145 -9.090 1.00 0.00 N ATOM 0 H ASN A 17 8.188 -3.493 -6.032 1.00 0.00 H new ATOM 0 HA ASN A 17 10.814 -3.935 -4.829 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.595 -3.066 -7.023 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.598 -4.502 -7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.032 -2.690 -9.777 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.224 -3.928 -9.369 1.00 0.00 H new ATOM 256 N ILE A 18 11.590 -1.336 -5.002 1.00 0.00 N ATOM 257 CA ILE A 18 11.838 0.035 -4.581 1.00 0.00 C ATOM 258 C ILE A 18 10.906 1.005 -5.306 1.00 0.00 C ATOM 259 O ILE A 18 10.430 1.979 -4.721 1.00 0.00 O ATOM 260 CB ILE A 18 13.288 0.462 -4.835 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.517 1.869 -4.279 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.594 0.404 -6.323 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.274 1.981 -2.792 1.00 0.00 C ATOM 0 H ILE A 18 12.417 -1.848 -5.310 1.00 0.00 H new ATOM 0 HA ILE A 18 11.647 0.068 -3.508 1.00 0.00 H new ATOM 0 HB ILE A 18 13.964 -0.223 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.541 2.173 -4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.861 2.567 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.626 0.709 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.452 -0.615 -6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.924 1.076 -6.859 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.456 3.006 -2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.242 1.709 -2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.948 1.309 -2.261 1.00 0.00 H new ATOM 275 N GLU A 19 10.650 0.726 -6.582 1.00 0.00 N ATOM 276 CA GLU A 19 9.765 1.567 -7.389 1.00 0.00 C ATOM 277 C GLU A 19 8.397 1.631 -6.747 1.00 0.00 C ATOM 278 O GLU A 19 7.708 2.650 -6.799 1.00 0.00 O ATOM 279 CB GLU A 19 9.589 0.990 -8.797 1.00 0.00 C ATOM 280 CG GLU A 19 10.767 1.189 -9.726 1.00 0.00 C ATOM 281 CD GLU A 19 11.220 2.635 -9.804 1.00 0.00 C ATOM 282 OE1 GLU A 19 10.635 3.398 -10.602 1.00 0.00 O ATOM 283 OE2 GLU A 19 12.159 3.004 -9.068 1.00 0.00 O ATOM 0 H GLU A 19 11.041 -0.074 -7.080 1.00 0.00 H new ATOM 0 HA GLU A 19 10.217 2.557 -7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.390 -0.078 -8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.708 1.444 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.599 0.571 -9.388 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.498 0.843 -10.724 1.00 0.00 H new ATOM 290 N GLY A 20 8.026 0.523 -6.134 1.00 0.00 N ATOM 291 CA GLY A 20 6.736 0.420 -5.499 1.00 0.00 C ATOM 292 C GLY A 20 5.863 -0.607 -6.189 1.00 0.00 C ATOM 293 O GLY A 20 4.784 -0.943 -5.701 1.00 0.00 O ATOM 0 H GLY A 20 8.603 -0.315 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.865 0.146 -4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.241 1.391 -5.516 1.00 0.00 H new ATOM 297 N ILE A 21 6.336 -1.106 -7.332 1.00 0.00 N ATOM 298 CA ILE A 21 5.608 -2.105 -8.088 1.00 0.00 C ATOM 299 C ILE A 21 5.296 -3.304 -7.216 1.00 0.00 C ATOM 300 O ILE A 21 6.198 -4.003 -6.761 1.00 0.00 O ATOM 301 CB ILE A 21 6.409 -2.587 -9.292 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.043 -1.394 -10.023 1.00 0.00 C ATOM 303 CG2 ILE A 21 5.496 -3.404 -10.191 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.072 -0.552 -10.820 1.00 0.00 C ATOM 0 H ILE A 21 7.224 -0.828 -7.749 1.00 0.00 H new ATOM 0 HA ILE A 21 4.686 -1.636 -8.433 1.00 0.00 H new ATOM 0 HB ILE A 21 7.231 -3.227 -8.972 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.538 -0.757 -9.290 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.816 -1.766 -10.695 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.057 -3.755 -11.057 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.111 -4.260 -9.637 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.664 -2.784 -10.525 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.609 0.266 -11.301 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.594 -1.169 -11.581 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.312 -0.145 -10.154 1.00 0.00 H new ATOM 316 N PHE A 22 4.017 -3.564 -7.035 1.00 0.00 N ATOM 317 CA PHE A 22 3.567 -4.643 -6.182 1.00 0.00 C ATOM 318 C PHE A 22 3.999 -6.018 -6.667 1.00 0.00 C ATOM 319 O PHE A 22 3.484 -6.537 -7.654 1.00 0.00 O ATOM 320 CB PHE A 22 2.055 -4.601 -6.079 1.00 0.00 C ATOM 321 CG PHE A 22 1.539 -3.484 -5.213 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.183 -3.129 -4.034 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.405 -2.793 -5.581 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.692 -2.101 -3.251 1.00 0.00 C ATOM 325 CE2 PHE A 22 -0.088 -1.771 -4.804 1.00 0.00 C ATOM 326 CZ PHE A 22 0.554 -1.423 -3.640 1.00 0.00 C ATOM 0 H PHE A 22 3.263 -3.035 -7.474 1.00 0.00 H new ATOM 0 HA PHE A 22 4.033 -4.491 -5.208 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.634 -4.498 -7.079 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.700 -5.551 -5.681 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.072 -3.659 -3.728 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.105 -3.059 -6.495 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.198 -1.829 -2.336 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.979 -1.242 -5.108 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.169 -0.620 -3.030 1.00 0.00 H new ATOM 336 N THR A 23 4.948 -6.601 -5.957 1.00 0.00 N ATOM 337 CA THR A 23 5.414 -7.937 -6.260 1.00 0.00 C ATOM 338 C THR A 23 4.528 -8.930 -5.516 1.00 0.00 C ATOM 339 O THR A 23 4.671 -10.148 -5.637 1.00 0.00 O ATOM 340 CB THR A 23 6.884 -8.113 -5.853 1.00 0.00 C ATOM 341 OG1 THR A 23 7.030 -7.909 -4.443 1.00 0.00 O ATOM 342 CG2 THR A 23 7.749 -7.119 -6.612 1.00 0.00 C ATOM 0 H THR A 23 5.413 -6.164 -5.161 1.00 0.00 H new ATOM 0 HA THR A 23 5.353 -8.113 -7.334 1.00 0.00 H new ATOM 0 HB THR A 23 7.203 -9.126 -6.098 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.663 -8.564 -4.082 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.791 -7.247 -6.320 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.648 -7.292 -7.683 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.429 -6.104 -6.377 1.00 0.00 H new ATOM 350 N PHE A 24 3.603 -8.358 -4.742 1.00 0.00 N ATOM 351 CA PHE A 24 2.631 -9.103 -3.956 1.00 0.00 C ATOM 352 C PHE A 24 1.641 -8.132 -3.323 1.00 0.00 C ATOM 353 O PHE A 24 1.972 -6.978 -3.062 1.00 0.00 O ATOM 354 CB PHE A 24 3.304 -9.937 -2.860 1.00 0.00 C ATOM 355 CG PHE A 24 2.336 -10.435 -1.813 1.00 0.00 C ATOM 356 CD1 PHE A 24 1.653 -11.628 -1.991 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.091 -9.697 -0.660 1.00 0.00 C ATOM 358 CE1 PHE A 24 0.750 -12.077 -1.043 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.186 -10.140 0.287 1.00 0.00 C ATOM 360 CZ PHE A 24 0.516 -11.330 0.096 1.00 0.00 C ATOM 0 H PHE A 24 3.511 -7.347 -4.646 1.00 0.00 H new ATOM 0 HA PHE A 24 2.112 -9.789 -4.625 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.805 -10.790 -3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.075 -9.336 -2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.828 -12.215 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.614 -8.766 -0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.228 -13.011 -1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.004 -9.554 1.176 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.190 -11.678 0.835 1.00 0.00 H new ATOM 370 N VAL A 25 0.423 -8.600 -3.105 1.00 0.00 N ATOM 371 CA VAL A 25 -0.618 -7.795 -2.480 1.00 0.00 C ATOM 372 C VAL A 25 -1.535 -8.694 -1.675 1.00 0.00 C ATOM 373 O VAL A 25 -2.041 -9.699 -2.170 1.00 0.00 O ATOM 374 CB VAL A 25 -1.457 -6.995 -3.506 1.00 0.00 C ATOM 375 CG1 VAL A 25 -2.199 -5.863 -2.821 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.593 -6.450 -4.626 1.00 0.00 C ATOM 0 H VAL A 25 0.127 -9.544 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.120 -7.071 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.182 -7.681 -3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.783 -5.312 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.866 -6.272 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.482 -5.190 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.215 -5.894 -5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.166 -5.788 -4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.108 -7.276 -5.146 1.00 0.00 H new ATOM 386 N ASP A 26 -1.716 -8.339 -0.421 1.00 0.00 N ATOM 387 CA ASP A 26 -2.563 -9.101 0.475 1.00 0.00 C ATOM 388 C ASP A 26 -4.035 -8.916 0.094 1.00 0.00 C ATOM 389 O ASP A 26 -4.474 -7.805 -0.196 1.00 0.00 O ATOM 390 CB ASP A 26 -2.269 -8.666 1.908 1.00 0.00 C ATOM 391 CG ASP A 26 -3.396 -8.975 2.872 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.966 -10.082 2.783 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.700 -8.115 3.723 1.00 0.00 O ATOM 0 H ASP A 26 -1.284 -7.519 0.005 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.352 -10.167 0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.361 -9.161 2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.072 -7.594 1.922 1.00 0.00 H new ATOM 398 N HIS A 27 -4.782 -10.023 0.085 1.00 0.00 N ATOM 399 CA HIS A 27 -6.197 -10.026 -0.310 1.00 0.00 C ATOM 400 C HIS A 27 -7.050 -8.998 0.434 1.00 0.00 C ATOM 401 O HIS A 27 -8.188 -8.749 0.046 1.00 0.00 O ATOM 402 CB HIS A 27 -6.791 -11.424 -0.132 1.00 0.00 C ATOM 403 CG HIS A 27 -7.080 -11.785 1.295 1.00 0.00 C ATOM 404 ND1 HIS A 27 -8.358 -11.942 1.787 1.00 0.00 N ATOM 405 CD2 HIS A 27 -6.246 -12.026 2.335 1.00 0.00 C ATOM 406 CE1 HIS A 27 -8.299 -12.260 3.069 1.00 0.00 C ATOM 407 NE2 HIS A 27 -7.029 -12.318 3.424 1.00 0.00 N ATOM 0 H HIS A 27 -4.426 -10.941 0.350 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.217 -9.737 -1.361 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.714 -11.492 -0.708 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.101 -12.157 -0.549 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.167 -11.994 2.312 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.145 -12.441 3.715 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.685 -12.544 4.357 1.00 0.00 H new ATOM 416 N ARG A 28 -6.527 -8.416 1.500 1.00 0.00 N ATOM 417 CA ARG A 28 -7.279 -7.412 2.246 1.00 0.00 C ATOM 418 C ARG A 28 -7.430 -6.150 1.408 1.00 0.00 C ATOM 419 O ARG A 28 -8.360 -5.365 1.594 1.00 0.00 O ATOM 420 CB ARG A 28 -6.588 -7.092 3.572 1.00 0.00 C ATOM 421 CG ARG A 28 -6.836 -8.138 4.645 1.00 0.00 C ATOM 422 CD ARG A 28 -7.396 -7.512 5.912 1.00 0.00 C ATOM 423 NE ARG A 28 -6.351 -6.901 6.729 1.00 0.00 N ATOM 424 CZ ARG A 28 -5.901 -7.427 7.864 1.00 0.00 C ATOM 425 NH1 ARG A 28 -6.408 -8.565 8.319 1.00 0.00 N ATOM 426 NH2 ARG A 28 -4.945 -6.813 8.548 1.00 0.00 N ATOM 0 H ARG A 28 -5.597 -8.615 1.868 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.269 -7.811 2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.515 -7.002 3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.936 -6.123 3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.532 -8.888 4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.904 -8.654 4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.136 -6.757 5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.913 -8.274 6.495 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.944 -6.022 6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.145 -9.039 7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.060 -8.966 9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.554 -5.936 8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.601 -7.218 9.419 1.00 0.00 H new ATOM 440 N CYS A 29 -6.495 -5.976 0.485 1.00 0.00 N ATOM 441 CA CYS A 29 -6.453 -4.828 -0.402 1.00 0.00 C ATOM 442 C CYS A 29 -7.782 -4.562 -1.112 1.00 0.00 C ATOM 443 O CYS A 29 -8.054 -3.429 -1.491 1.00 0.00 O ATOM 444 CB CYS A 29 -5.360 -5.046 -1.435 1.00 0.00 C ATOM 445 SG CYS A 29 -5.673 -6.428 -2.551 1.00 0.00 S ATOM 0 H CYS A 29 -5.735 -6.639 0.331 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.247 -3.951 0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.243 -4.136 -2.023 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.415 -5.215 -0.919 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.683 -6.145 -3.319 1.00 0.00 H new ATOM 451 N VAL A 30 -8.604 -5.584 -1.320 1.00 0.00 N ATOM 452 CA VAL A 30 -9.878 -5.366 -2.000 1.00 0.00 C ATOM 453 C VAL A 30 -10.883 -4.714 -1.052 1.00 0.00 C ATOM 454 O VAL A 30 -11.750 -3.958 -1.474 1.00 0.00 O ATOM 455 CB VAL A 30 -10.461 -6.665 -2.606 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.468 -7.809 -2.507 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.772 -7.035 -1.945 1.00 0.00 C ATOM 0 H VAL A 30 -8.421 -6.547 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.683 -4.691 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.656 -6.478 -3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.905 -8.709 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.559 -7.550 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.226 -7.991 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.158 -7.952 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.611 -7.190 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.492 -6.230 -2.089 1.00 0.00 H new ATOM 467 N ALA A 31 -10.790 -5.036 0.229 1.00 0.00 N ATOM 468 CA ALA A 31 -11.673 -4.433 1.215 1.00 0.00 C ATOM 469 C ALA A 31 -11.147 -3.056 1.587 1.00 0.00 C ATOM 470 O ALA A 31 -11.902 -2.157 1.950 1.00 0.00 O ATOM 471 CB ALA A 31 -11.775 -5.306 2.451 1.00 0.00 C ATOM 0 H ALA A 31 -10.119 -5.705 0.608 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.670 -4.338 0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.440 -4.835 3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.172 -6.283 2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.786 -5.428 2.893 1.00 0.00 H new ATOM 477 N THR A 32 -9.833 -2.914 1.460 1.00 0.00 N ATOM 478 CA THR A 32 -9.132 -1.680 1.798 1.00 0.00 C ATOM 479 C THR A 32 -9.226 -0.625 0.701 1.00 0.00 C ATOM 480 O THR A 32 -9.724 0.476 0.926 1.00 0.00 O ATOM 481 CB THR A 32 -7.647 -1.986 2.027 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.501 -3.152 2.845 1.00 0.00 O ATOM 483 CG2 THR A 32 -6.946 -0.817 2.681 1.00 0.00 C ATOM 0 H THR A 32 -9.221 -3.655 1.118 1.00 0.00 H new ATOM 0 HA THR A 32 -9.609 -1.285 2.695 1.00 0.00 H new ATOM 0 HB THR A 32 -7.189 -2.166 1.055 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.781 -3.943 2.339 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.894 -1.061 2.832 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.026 0.061 2.040 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.411 -0.606 3.644 1.00 0.00 H new ATOM 491 N VAL A 33 -8.744 -0.974 -0.485 1.00 0.00 N ATOM 492 CA VAL A 33 -8.745 -0.057 -1.614 1.00 0.00 C ATOM 493 C VAL A 33 -9.602 -0.571 -2.759 1.00 0.00 C ATOM 494 O VAL A 33 -9.559 -0.036 -3.863 1.00 0.00 O ATOM 495 CB VAL A 33 -7.312 0.197 -2.107 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.531 0.927 -1.031 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.631 -1.108 -2.458 1.00 0.00 C ATOM 0 H VAL A 33 -8.346 -1.891 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.176 0.881 -1.266 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.348 0.812 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.514 1.108 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.015 1.879 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.502 0.319 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.617 -0.908 -2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.593 -1.747 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.192 -1.610 -3.246 1.00 0.00 H new ATOM 507 N GLY A 34 -10.361 -1.627 -2.498 1.00 0.00 N ATOM 508 CA GLY A 34 -11.240 -2.176 -3.524 1.00 0.00 C ATOM 509 C GLY A 34 -10.497 -2.986 -4.564 1.00 0.00 C ATOM 510 O GLY A 34 -11.049 -3.916 -5.152 1.00 0.00 O ATOM 0 H GLY A 34 -10.387 -2.114 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.994 -2.805 -3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.769 -1.360 -4.016 1.00 0.00 H new ATOM 514 N TYR A 35 -9.244 -2.628 -4.787 1.00 0.00 N ATOM 515 CA TYR A 35 -8.412 -3.304 -5.766 1.00 0.00 C ATOM 516 C TYR A 35 -7.966 -4.672 -5.286 1.00 0.00 C ATOM 517 O TYR A 35 -7.254 -4.784 -4.290 1.00 0.00 O ATOM 518 CB TYR A 35 -7.192 -2.452 -6.063 1.00 0.00 C ATOM 519 CG TYR A 35 -7.555 -1.151 -6.707 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.277 -1.125 -7.887 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.195 0.046 -6.125 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.627 0.061 -8.477 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.537 1.244 -6.704 1.00 0.00 C ATOM 524 CZ TYR A 35 -8.255 1.252 -7.885 1.00 0.00 C ATOM 525 OH TYR A 35 -8.602 2.448 -8.470 1.00 0.00 O ATOM 0 H TYR A 35 -8.777 -1.865 -4.297 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.007 -3.446 -6.668 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.652 -2.259 -5.136 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.516 -3.003 -6.717 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.570 -2.055 -8.351 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.636 0.042 -5.201 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.190 0.064 -9.399 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.246 2.174 -6.239 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.102 2.994 -7.827 1.00 0.00 H new ATOM 535 N GLN A 36 -8.393 -5.711 -5.992 1.00 0.00 N ATOM 536 CA GLN A 36 -8.000 -7.063 -5.654 1.00 0.00 C ATOM 537 C GLN A 36 -6.476 -7.146 -5.675 1.00 0.00 C ATOM 538 O GLN A 36 -5.830 -6.303 -6.296 1.00 0.00 O ATOM 539 CB GLN A 36 -8.601 -8.048 -6.657 1.00 0.00 C ATOM 540 CG GLN A 36 -10.115 -7.963 -6.761 1.00 0.00 C ATOM 541 CD GLN A 36 -10.699 -9.029 -7.667 1.00 0.00 C ATOM 542 OE1 GLN A 36 -10.059 -9.466 -8.624 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.921 -9.457 -7.369 1.00 0.00 N ATOM 0 H GLN A 36 -9.011 -5.638 -6.800 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.367 -7.321 -4.661 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.167 -7.863 -7.640 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.321 -9.062 -6.370 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.550 -8.059 -5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.395 -6.979 -7.137 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.416 -9.068 -6.567 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.364 -10.175 -7.943 1.00 0.00 H new ATOM 552 N PRO A 37 -5.864 -8.125 -4.991 1.00 0.00 N ATOM 553 CA PRO A 37 -4.416 -8.242 -4.982 1.00 0.00 C ATOM 554 C PRO A 37 -3.836 -8.172 -6.383 1.00 0.00 C ATOM 555 O PRO A 37 -2.799 -7.553 -6.598 1.00 0.00 O ATOM 556 CB PRO A 37 -4.142 -9.602 -4.363 1.00 0.00 C ATOM 557 CG PRO A 37 -5.404 -10.057 -3.723 1.00 0.00 C ATOM 558 CD PRO A 37 -6.519 -9.155 -4.180 1.00 0.00 C ATOM 0 HA PRO A 37 -3.954 -7.425 -4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.819 -10.313 -5.124 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.340 -9.535 -3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.616 -11.091 -3.995 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.312 -10.026 -2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.258 -9.705 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.044 -8.715 -3.332 1.00 0.00 H new ATOM 566 N GLN A 38 -4.509 -8.812 -7.334 1.00 0.00 N ATOM 567 CA GLN A 38 -4.063 -8.802 -8.721 1.00 0.00 C ATOM 568 C GLN A 38 -4.297 -7.425 -9.333 1.00 0.00 C ATOM 569 O GLN A 38 -3.584 -7.004 -10.243 1.00 0.00 O ATOM 570 CB GLN A 38 -4.796 -9.868 -9.523 1.00 0.00 C ATOM 571 CG GLN A 38 -6.296 -9.731 -9.430 1.00 0.00 C ATOM 572 CD GLN A 38 -7.023 -10.354 -10.606 1.00 0.00 C ATOM 573 OE1 GLN A 38 -6.545 -11.314 -11.209 1.00 0.00 O ATOM 574 NE2 GLN A 38 -8.188 -9.809 -10.935 1.00 0.00 N ATOM 0 H GLN A 38 -5.364 -9.343 -7.169 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.996 -9.024 -8.748 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.493 -9.805 -10.568 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.501 -10.854 -9.165 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.641 -10.198 -8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.555 -8.674 -9.368 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.546 -9.013 -10.407 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.725 -10.186 -11.716 1.00 0.00 H new ATOM 583 N GLU A 39 -5.309 -6.734 -8.817 1.00 0.00 N ATOM 584 CA GLU A 39 -5.651 -5.397 -9.276 1.00 0.00 C ATOM 585 C GLU A 39 -4.567 -4.408 -8.859 1.00 0.00 C ATOM 586 O GLU A 39 -4.561 -3.253 -9.285 1.00 0.00 O ATOM 587 CB GLU A 39 -6.995 -4.981 -8.676 1.00 0.00 C ATOM 588 CG GLU A 39 -8.067 -4.679 -9.708 1.00 0.00 C ATOM 589 CD GLU A 39 -9.457 -5.051 -9.229 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.935 -4.435 -8.255 1.00 0.00 O ATOM 591 OE2 GLU A 39 -10.067 -5.962 -9.826 1.00 0.00 O ATOM 0 H GLU A 39 -5.911 -7.085 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.725 -5.398 -10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.350 -5.776 -8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.846 -4.099 -8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.043 -3.617 -9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.845 -5.222 -10.627 1.00 0.00 H new ATOM 598 N LEU A 40 -3.651 -4.883 -8.019 1.00 0.00 N ATOM 599 CA LEU A 40 -2.555 -4.068 -7.521 1.00 0.00 C ATOM 600 C LEU A 40 -1.217 -4.618 -8.001 1.00 0.00 C ATOM 601 O LEU A 40 -0.302 -3.869 -8.334 1.00 0.00 O ATOM 602 CB LEU A 40 -2.582 -4.059 -5.994 1.00 0.00 C ATOM 603 CG LEU A 40 -3.252 -2.866 -5.303 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.737 -1.816 -6.291 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.401 -3.369 -4.449 1.00 0.00 C ATOM 0 H LEU A 40 -3.650 -5.841 -7.668 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.673 -3.053 -7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.086 -4.966 -5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.553 -4.118 -5.639 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.507 -2.377 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.203 -0.994 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.891 -1.438 -6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.465 -2.263 -6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.883 -2.526 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.126 -3.882 -5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.020 -4.061 -3.698 1.00 0.00 H new ATOM 617 N LEU A 41 -1.126 -5.939 -8.034 1.00 0.00 N ATOM 618 CA LEU A 41 0.086 -6.632 -8.447 1.00 0.00 C ATOM 619 C LEU A 41 0.597 -6.124 -9.789 1.00 0.00 C ATOM 620 O LEU A 41 -0.153 -6.019 -10.759 1.00 0.00 O ATOM 621 CB LEU A 41 -0.185 -8.138 -8.515 1.00 0.00 C ATOM 622 CG LEU A 41 -0.007 -8.885 -7.191 1.00 0.00 C ATOM 623 CD1 LEU A 41 -1.014 -10.021 -7.065 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.415 -9.413 -7.068 1.00 0.00 C ATOM 0 H LEU A 41 -1.891 -6.562 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 41 0.862 -6.432 -7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.204 -8.293 -8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.481 -8.579 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.189 -8.183 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.866 -10.535 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.025 -9.617 -7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.873 -10.725 -7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.526 -9.942 -6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.622 -10.096 -7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.117 -8.580 -7.103 1.00 0.00 H new ATOM 636 N GLY A 42 1.887 -5.811 -9.824 1.00 0.00 N ATOM 637 CA GLY A 42 2.506 -5.317 -11.036 1.00 0.00 C ATOM 638 C GLY A 42 2.329 -3.825 -11.202 1.00 0.00 C ATOM 639 O GLY A 42 2.865 -3.227 -12.137 1.00 0.00 O ATOM 0 H GLY A 42 2.518 -5.892 -9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.570 -5.555 -11.022 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.076 -5.830 -11.896 1.00 0.00 H new ATOM 643 N LYS A 43 1.574 -3.222 -10.292 1.00 0.00 N ATOM 644 CA LYS A 43 1.323 -1.792 -10.335 1.00 0.00 C ATOM 645 C LYS A 43 2.153 -1.062 -9.300 1.00 0.00 C ATOM 646 O LYS A 43 2.347 -1.542 -8.184 1.00 0.00 O ATOM 647 CB LYS A 43 -0.148 -1.496 -10.073 1.00 0.00 C ATOM 648 CG LYS A 43 -1.090 -2.336 -10.898 1.00 0.00 C ATOM 649 CD LYS A 43 -2.383 -1.601 -11.192 1.00 0.00 C ATOM 650 CE LYS A 43 -3.029 -2.096 -12.475 1.00 0.00 C ATOM 651 NZ LYS A 43 -4.259 -1.328 -12.812 1.00 0.00 N ATOM 0 H LYS A 43 1.125 -3.705 -9.514 1.00 0.00 H new ATOM 0 HA LYS A 43 1.598 -1.445 -11.331 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.360 -1.659 -9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.340 -0.443 -10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.606 -2.611 -11.835 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.310 -3.263 -10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.075 -1.735 -10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.184 -0.532 -11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.315 -2.015 -13.295 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.278 -3.152 -12.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.668 -1.698 -13.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.951 -1.425 -12.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.018 -0.324 -12.936 1.00 0.00 H new ATOM 665 N ASN A 44 2.634 0.106 -9.680 1.00 0.00 N ATOM 666 CA ASN A 44 3.419 0.927 -8.777 1.00 0.00 C ATOM 667 C ASN A 44 2.513 1.451 -7.674 1.00 0.00 C ATOM 668 O ASN A 44 1.545 2.159 -7.935 1.00 0.00 O ATOM 669 CB ASN A 44 4.066 2.086 -9.541 1.00 0.00 C ATOM 670 CG ASN A 44 5.220 2.713 -8.795 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.025 3.529 -7.899 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.432 2.350 -9.183 1.00 0.00 N ATOM 0 H ASN A 44 2.495 0.508 -10.607 1.00 0.00 H new ATOM 0 HA ASN A 44 4.216 0.329 -8.335 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.418 1.725 -10.507 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.313 2.848 -9.741 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.254 2.753 -8.732 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.544 1.668 -9.933 1.00 0.00 H new ATOM 679 N ILE A 45 2.815 1.064 -6.445 1.00 0.00 N ATOM 680 CA ILE A 45 2.039 1.479 -5.292 1.00 0.00 C ATOM 681 C ILE A 45 1.801 2.985 -5.290 1.00 0.00 C ATOM 682 O ILE A 45 0.701 3.449 -4.986 1.00 0.00 O ATOM 683 CB ILE A 45 2.760 1.078 -3.998 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.923 1.427 -2.775 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.103 1.761 -3.934 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.521 0.940 -1.473 1.00 0.00 C ATOM 0 H ILE A 45 3.602 0.456 -6.221 1.00 0.00 H new ATOM 0 HA ILE A 45 1.073 0.978 -5.348 1.00 0.00 H new ATOM 0 HB ILE A 45 2.908 -0.002 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.799 2.509 -2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.928 0.997 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.613 1.475 -3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.705 1.461 -4.792 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.963 2.842 -3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.871 1.224 -0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.619 -0.145 -1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.504 1.390 -1.333 1.00 0.00 H new ATOM 698 N VAL A 46 2.832 3.745 -5.645 1.00 0.00 N ATOM 699 CA VAL A 46 2.727 5.195 -5.662 1.00 0.00 C ATOM 700 C VAL A 46 1.825 5.676 -6.796 1.00 0.00 C ATOM 701 O VAL A 46 1.243 6.753 -6.709 1.00 0.00 O ATOM 702 CB VAL A 46 4.100 5.900 -5.709 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.203 4.956 -5.269 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.382 6.496 -7.081 1.00 0.00 C ATOM 0 H VAL A 46 3.744 3.381 -5.923 1.00 0.00 H new ATOM 0 HA VAL A 46 2.266 5.476 -4.715 1.00 0.00 H new ATOM 0 HB VAL A 46 4.072 6.732 -5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.162 5.473 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.012 4.624 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.228 4.092 -5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.357 6.983 -7.073 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.378 5.704 -7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.613 7.229 -7.325 1.00 0.00 H new ATOM 714 N GLU A 47 1.744 4.900 -7.880 1.00 0.00 N ATOM 715 CA GLU A 47 0.878 5.269 -8.995 1.00 0.00 C ATOM 716 C GLU A 47 -0.527 5.543 -8.476 1.00 0.00 C ATOM 717 O GLU A 47 -1.267 6.347 -9.042 1.00 0.00 O ATOM 718 CB GLU A 47 0.841 4.172 -10.059 1.00 0.00 C ATOM 719 CG GLU A 47 1.873 4.358 -11.160 1.00 0.00 C ATOM 720 CD GLU A 47 1.754 3.313 -12.252 1.00 0.00 C ATOM 721 OE1 GLU A 47 2.291 2.201 -12.071 1.00 0.00 O ATOM 722 OE2 GLU A 47 1.124 3.608 -13.290 1.00 0.00 O ATOM 0 H GLU A 47 2.259 4.028 -8.006 1.00 0.00 H new ATOM 0 HA GLU A 47 1.280 6.169 -9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.003 3.207 -9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.153 4.143 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.758 5.350 -11.597 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.873 4.314 -10.727 1.00 0.00 H new ATOM 729 N PHE A 48 -0.883 4.860 -7.392 1.00 0.00 N ATOM 730 CA PHE A 48 -2.179 5.055 -6.758 1.00 0.00 C ATOM 731 C PHE A 48 -2.053 6.175 -5.751 1.00 0.00 C ATOM 732 O PHE A 48 -2.981 6.950 -5.536 1.00 0.00 O ATOM 733 CB PHE A 48 -2.645 3.783 -6.055 1.00 0.00 C ATOM 734 CG PHE A 48 -2.830 2.622 -6.976 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.753 1.825 -7.323 1.00 0.00 C ATOM 736 CD2 PHE A 48 -4.080 2.323 -7.488 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.927 0.744 -8.173 1.00 0.00 C ATOM 738 CE2 PHE A 48 -4.256 1.250 -8.334 1.00 0.00 C ATOM 739 CZ PHE A 48 -3.178 0.461 -8.675 1.00 0.00 C ATOM 0 H PHE A 48 -0.290 4.167 -6.935 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.916 5.305 -7.521 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.918 3.515 -5.288 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.587 3.985 -5.545 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.772 2.046 -6.929 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.927 2.938 -7.222 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.084 0.125 -8.441 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.236 1.027 -8.729 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.315 -0.381 -9.337 1.00 0.00 H new ATOM 749 N CYS A 49 -0.880 6.237 -5.134 1.00 0.00 N ATOM 750 CA CYS A 49 -0.576 7.273 -4.152 1.00 0.00 C ATOM 751 C CYS A 49 -0.722 8.652 -4.780 1.00 0.00 C ATOM 752 O CYS A 49 -0.342 8.853 -5.934 1.00 0.00 O ATOM 753 CB CYS A 49 0.857 7.114 -3.636 1.00 0.00 C ATOM 754 SG CYS A 49 1.414 8.473 -2.582 1.00 0.00 S ATOM 0 H CYS A 49 -0.118 5.578 -5.297 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.276 7.171 -3.323 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.930 6.181 -3.077 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.532 7.028 -4.488 1.00 0.00 H new ATOM 0 HG CYS A 49 1.270 9.600 -3.214 1.00 0.00 H new ATOM 760 N HIS A 50 -1.277 9.599 -4.029 1.00 0.00 N ATOM 761 CA HIS A 50 -1.431 10.957 -4.531 1.00 0.00 C ATOM 762 C HIS A 50 -0.069 11.467 -5.000 1.00 0.00 C ATOM 763 O HIS A 50 0.926 11.260 -4.312 1.00 0.00 O ATOM 764 CB HIS A 50 -1.999 11.871 -3.440 1.00 0.00 C ATOM 765 CG HIS A 50 -2.412 13.223 -3.933 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.520 14.147 -4.437 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.633 13.811 -3.994 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.172 15.242 -4.786 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.454 15.064 -4.528 1.00 0.00 N ATOM 0 H HIS A 50 -1.624 9.452 -3.081 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.130 10.960 -5.367 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.860 11.383 -2.984 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.251 11.994 -2.657 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.570 13.375 -3.681 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.731 16.132 -5.210 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.193 15.747 -4.698 1.00 0.00 H new ATOM 778 N PRO A 51 0.003 12.115 -6.174 1.00 0.00 N ATOM 779 CA PRO A 51 1.266 12.616 -6.729 1.00 0.00 C ATOM 780 C PRO A 51 2.135 13.352 -5.710 1.00 0.00 C ATOM 781 O PRO A 51 3.294 12.988 -5.495 1.00 0.00 O ATOM 782 CB PRO A 51 0.801 13.560 -7.830 1.00 0.00 C ATOM 783 CG PRO A 51 -0.475 12.960 -8.296 1.00 0.00 C ATOM 784 CD PRO A 51 -1.134 12.428 -7.059 1.00 0.00 C ATOM 0 HA PRO A 51 1.905 11.803 -7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.653 14.572 -7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.531 13.624 -8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.103 13.703 -8.788 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.295 12.165 -9.019 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.801 13.164 -6.611 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.733 11.543 -7.272 1.00 0.00 H new ATOM 792 N GLU A 52 1.575 14.379 -5.083 1.00 0.00 N ATOM 793 CA GLU A 52 2.302 15.170 -4.097 1.00 0.00 C ATOM 794 C GLU A 52 2.791 14.314 -2.934 1.00 0.00 C ATOM 795 O GLU A 52 3.671 14.725 -2.176 1.00 0.00 O ATOM 796 CB GLU A 52 1.407 16.288 -3.577 1.00 0.00 C ATOM 797 CG GLU A 52 1.070 17.315 -4.639 1.00 0.00 C ATOM 798 CD GLU A 52 2.099 18.424 -4.728 1.00 0.00 C ATOM 799 OE1 GLU A 52 1.952 19.430 -4.002 1.00 0.00 O ATOM 800 OE2 GLU A 52 3.051 18.287 -5.523 1.00 0.00 O ATOM 0 H GLU A 52 0.615 14.685 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 52 3.178 15.594 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.484 15.857 -3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.902 16.785 -2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.992 16.819 -5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.093 17.748 -4.423 1.00 0.00 H new ATOM 807 N ASP A 53 2.218 13.126 -2.797 1.00 0.00 N ATOM 808 CA ASP A 53 2.583 12.219 -1.718 1.00 0.00 C ATOM 809 C ASP A 53 3.440 11.045 -2.195 1.00 0.00 C ATOM 810 O ASP A 53 4.044 10.354 -1.374 1.00 0.00 O ATOM 811 CB ASP A 53 1.322 11.686 -1.040 1.00 0.00 C ATOM 812 CG ASP A 53 0.466 12.793 -0.457 1.00 0.00 C ATOM 813 OD1 ASP A 53 -0.240 13.468 -1.235 1.00 0.00 O ATOM 814 OD2 ASP A 53 0.502 12.986 0.776 1.00 0.00 O ATOM 0 H ASP A 53 1.496 12.767 -3.422 1.00 0.00 H new ATOM 0 HA ASP A 53 3.182 12.792 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.735 11.120 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.604 10.993 -0.247 1.00 0.00 H new ATOM 819 N GLN A 54 3.498 10.803 -3.507 1.00 0.00 N ATOM 820 CA GLN A 54 4.293 9.701 -4.019 1.00 0.00 C ATOM 821 C GLN A 54 5.751 9.877 -3.638 1.00 0.00 C ATOM 822 O GLN A 54 6.447 8.908 -3.349 1.00 0.00 O ATOM 823 CB GLN A 54 4.170 9.585 -5.532 1.00 0.00 C ATOM 824 CG GLN A 54 2.750 9.644 -6.043 1.00 0.00 C ATOM 825 CD GLN A 54 2.677 9.557 -7.554 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.597 9.975 -8.258 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.578 9.017 -8.062 1.00 0.00 N ATOM 0 H GLN A 54 3.011 11.349 -4.218 1.00 0.00 H new ATOM 0 HA GLN A 54 3.911 8.784 -3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.745 10.387 -5.995 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.621 8.645 -5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.175 8.827 -5.606 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.286 10.573 -5.712 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.840 8.683 -7.442 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.470 8.935 -9.073 1.00 0.00 H new ATOM 836 N GLN A 55 6.213 11.122 -3.645 1.00 0.00 N ATOM 837 CA GLN A 55 7.591 11.417 -3.285 1.00 0.00 C ATOM 838 C GLN A 55 7.859 10.968 -1.856 1.00 0.00 C ATOM 839 O GLN A 55 8.985 10.629 -1.495 1.00 0.00 O ATOM 840 CB GLN A 55 7.877 12.910 -3.431 1.00 0.00 C ATOM 841 CG GLN A 55 9.330 13.282 -3.173 1.00 0.00 C ATOM 842 CD GLN A 55 10.276 12.680 -4.192 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.559 13.284 -5.226 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.771 11.483 -3.901 1.00 0.00 N ATOM 0 H GLN A 55 5.655 11.939 -3.895 1.00 0.00 H new ATOM 0 HA GLN A 55 8.252 10.874 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.603 13.227 -4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.241 13.462 -2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.431 14.367 -3.186 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.615 12.947 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.508 11.020 -3.031 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.415 11.026 -4.547 1.00 0.00 H new ATOM 853 N LEU A 56 6.803 10.973 -1.052 1.00 0.00 N ATOM 854 CA LEU A 56 6.883 10.569 0.337 1.00 0.00 C ATOM 855 C LEU A 56 6.853 9.053 0.449 1.00 0.00 C ATOM 856 O LEU A 56 7.545 8.465 1.280 1.00 0.00 O ATOM 857 CB LEU A 56 5.727 11.189 1.123 1.00 0.00 C ATOM 858 CG LEU A 56 5.448 10.564 2.486 1.00 0.00 C ATOM 859 CD1 LEU A 56 5.961 11.456 3.605 1.00 0.00 C ATOM 860 CD2 LEU A 56 3.959 10.301 2.641 1.00 0.00 C ATOM 0 H LEU A 56 5.870 11.258 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 56 7.824 10.923 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.935 12.249 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.822 11.120 0.519 1.00 0.00 H new ATOM 0 HG LEU A 56 5.978 9.614 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.751 10.990 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.037 11.594 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.464 12.425 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.768 9.855 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.413 11.241 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.627 9.619 1.859 1.00 0.00 H new ATOM 872 N LEU A 57 6.044 8.426 -0.398 1.00 0.00 N ATOM 873 CA LEU A 57 5.927 6.985 -0.414 1.00 0.00 C ATOM 874 C LEU A 57 7.257 6.396 -0.816 1.00 0.00 C ATOM 875 O LEU A 57 7.873 5.614 -0.093 1.00 0.00 O ATOM 876 CB LEU A 57 4.887 6.593 -1.457 1.00 0.00 C ATOM 877 CG LEU A 57 3.709 5.749 -0.984 1.00 0.00 C ATOM 878 CD1 LEU A 57 3.139 4.929 -2.129 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.072 4.861 0.192 1.00 0.00 C ATOM 0 H LEU A 57 5.459 8.903 -1.084 1.00 0.00 H new ATOM 0 HA LEU A 57 5.634 6.619 0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.491 7.507 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.395 6.048 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 57 2.940 6.439 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.300 4.335 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.797 5.597 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.911 4.267 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.200 4.280 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.877 4.185 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.401 5.480 1.027 1.00 0.00 H new ATOM 891 N ARG A 58 7.668 6.795 -2.004 1.00 0.00 N ATOM 892 CA ARG A 58 8.940 6.382 -2.573 1.00 0.00 C ATOM 893 C ARG A 58 10.065 6.618 -1.578 1.00 0.00 C ATOM 894 O ARG A 58 10.905 5.748 -1.366 1.00 0.00 O ATOM 895 CB ARG A 58 9.208 7.151 -3.867 1.00 0.00 C ATOM 896 CG ARG A 58 8.151 6.920 -4.935 1.00 0.00 C ATOM 897 CD ARG A 58 8.314 7.882 -6.102 1.00 0.00 C ATOM 898 NE ARG A 58 9.589 7.696 -6.788 1.00 0.00 N ATOM 899 CZ ARG A 58 9.959 8.390 -7.861 1.00 0.00 C ATOM 900 NH1 ARG A 58 9.156 9.318 -8.365 1.00 0.00 N ATOM 901 NH2 ARG A 58 11.134 8.158 -8.430 1.00 0.00 N ATOM 0 H ARG A 58 7.128 7.417 -2.606 1.00 0.00 H new ATOM 0 HA ARG A 58 8.895 5.317 -2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.262 8.216 -3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.182 6.858 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.217 5.894 -5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.160 7.041 -4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.497 7.737 -6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.243 8.908 -5.739 1.00 0.00 H new ATOM 0 HE ARG A 58 10.233 6.994 -6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.252 9.501 -7.930 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.443 9.848 -9.188 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.755 7.447 -8.045 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.416 8.691 -9.253 1.00 0.00 H new ATOM 915 N ASP A 59 10.071 7.803 -0.966 1.00 0.00 N ATOM 916 CA ASP A 59 11.082 8.151 0.024 1.00 0.00 C ATOM 917 C ASP A 59 11.181 7.067 1.072 1.00 0.00 C ATOM 918 O ASP A 59 12.273 6.617 1.414 1.00 0.00 O ATOM 919 CB ASP A 59 10.746 9.484 0.680 1.00 0.00 C ATOM 920 CG ASP A 59 11.764 9.894 1.725 1.00 0.00 C ATOM 921 OD1 ASP A 59 12.787 10.504 1.351 1.00 0.00 O ATOM 922 OD2 ASP A 59 11.539 9.601 2.919 1.00 0.00 O ATOM 0 H ASP A 59 9.384 8.537 -1.141 1.00 0.00 H new ATOM 0 HA ASP A 59 12.044 8.243 -0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.687 10.257 -0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.762 9.418 1.144 1.00 0.00 H new ATOM 927 N SER A 60 10.033 6.656 1.583 1.00 0.00 N ATOM 928 CA SER A 60 9.996 5.601 2.576 1.00 0.00 C ATOM 929 C SER A 60 10.734 4.378 2.050 1.00 0.00 C ATOM 930 O SER A 60 11.692 3.915 2.658 1.00 0.00 O ATOM 931 CB SER A 60 8.551 5.243 2.924 1.00 0.00 C ATOM 932 OG SER A 60 8.413 3.856 3.172 1.00 0.00 O ATOM 0 H SER A 60 9.121 7.035 1.328 1.00 0.00 H new ATOM 0 HA SER A 60 10.487 5.951 3.484 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.236 5.805 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.894 5.536 2.105 1.00 0.00 H new ATOM 0 HG SER A 60 7.468 3.605 3.110 1.00 0.00 H new ATOM 938 N PHE A 61 10.304 3.889 0.893 1.00 0.00 N ATOM 939 CA PHE A 61 10.919 2.719 0.280 1.00 0.00 C ATOM 940 C PHE A 61 12.416 2.916 0.117 1.00 0.00 C ATOM 941 O PHE A 61 13.188 1.965 0.235 1.00 0.00 O ATOM 942 CB PHE A 61 10.271 2.432 -1.075 1.00 0.00 C ATOM 943 CG PHE A 61 8.768 2.468 -1.012 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.095 1.861 0.038 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.035 3.123 -1.984 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.717 1.913 0.122 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.656 3.175 -1.915 1.00 0.00 C ATOM 948 CZ PHE A 61 5.993 2.573 -0.862 1.00 0.00 C ATOM 0 H PHE A 61 9.530 4.286 0.360 1.00 0.00 H new ATOM 0 HA PHE A 61 10.759 1.864 0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.619 3.165 -1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.594 1.453 -1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.656 1.341 0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.546 3.600 -2.807 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.206 1.443 0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.096 3.686 -2.684 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.915 2.616 -0.805 1.00 0.00 H new ATOM 958 N GLN A 62 12.828 4.154 -0.143 1.00 0.00 N ATOM 959 CA GLN A 62 14.236 4.456 -0.317 1.00 0.00 C ATOM 960 C GLN A 62 14.966 4.343 1.010 1.00 0.00 C ATOM 961 O GLN A 62 16.138 3.986 1.052 1.00 0.00 O ATOM 962 CB GLN A 62 14.411 5.860 -0.895 1.00 0.00 C ATOM 963 CG GLN A 62 13.688 6.064 -2.212 1.00 0.00 C ATOM 964 CD GLN A 62 14.634 6.146 -3.395 1.00 0.00 C ATOM 965 OE1 GLN A 62 14.964 5.133 -4.011 1.00 0.00 O ATOM 966 NE2 GLN A 62 15.075 7.355 -3.717 1.00 0.00 N ATOM 0 H GLN A 62 12.206 4.957 -0.236 1.00 0.00 H new ATOM 0 HA GLN A 62 14.662 3.735 -1.015 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.047 6.590 -0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.474 6.056 -1.038 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.988 5.243 -2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.099 6.979 -2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.775 8.168 -3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.714 7.472 -4.503 1.00 0.00 H new ATOM 975 N GLN A 63 14.261 4.635 2.092 1.00 0.00 N ATOM 976 CA GLN A 63 14.846 4.578 3.418 1.00 0.00 C ATOM 977 C GLN A 63 14.917 3.145 3.953 1.00 0.00 C ATOM 978 O GLN A 63 15.916 2.754 4.552 1.00 0.00 O ATOM 979 CB GLN A 63 14.041 5.463 4.355 1.00 0.00 C ATOM 980 CG GLN A 63 14.099 6.938 3.986 1.00 0.00 C ATOM 981 CD GLN A 63 15.507 7.504 4.043 1.00 0.00 C ATOM 982 OE1 GLN A 63 15.849 8.423 3.298 1.00 0.00 O ATOM 983 NE2 GLN A 63 16.334 6.960 4.929 1.00 0.00 N ATOM 0 H GLN A 63 13.280 4.914 2.075 1.00 0.00 H new ATOM 0 HA GLN A 63 15.872 4.941 3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.002 5.135 4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.411 5.335 5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.699 7.072 2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.458 7.503 4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.012 6.200 5.528 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.291 7.302 5.010 1.00 0.00 H new ATOM 992 N VAL A 64 13.856 2.365 3.742 1.00 0.00 N ATOM 993 CA VAL A 64 13.832 0.974 4.211 1.00 0.00 C ATOM 994 C VAL A 64 14.888 0.163 3.489 1.00 0.00 C ATOM 995 O VAL A 64 15.509 -0.734 4.060 1.00 0.00 O ATOM 996 CB VAL A 64 12.448 0.286 4.004 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.380 1.294 3.637 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.515 -0.812 2.944 1.00 0.00 C ATOM 0 H VAL A 64 13.011 2.665 3.256 1.00 0.00 H new ATOM 0 HA VAL A 64 14.033 1.008 5.282 1.00 0.00 H new ATOM 0 HB VAL A 64 12.181 -0.174 4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.428 0.782 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.284 2.030 4.435 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.658 1.798 2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.531 -1.267 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.829 -0.381 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.233 -1.572 3.252 1.00 0.00 H new ATOM 1008 N VAL A 65 15.078 0.495 2.227 1.00 0.00 N ATOM 1009 CA VAL A 65 16.030 -0.197 1.387 1.00 0.00 C ATOM 1010 C VAL A 65 17.451 0.282 1.659 1.00 0.00 C ATOM 1011 O VAL A 65 18.412 -0.471 1.506 1.00 0.00 O ATOM 1012 CB VAL A 65 15.671 -0.001 -0.093 1.00 0.00 C ATOM 1013 CG1 VAL A 65 15.985 1.416 -0.544 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.379 -1.024 -0.954 1.00 0.00 C ATOM 0 H VAL A 65 14.577 1.250 1.758 1.00 0.00 H new ATOM 0 HA VAL A 65 15.984 -1.260 1.623 1.00 0.00 H new ATOM 0 HB VAL A 65 14.598 -0.153 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.722 1.530 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.409 2.124 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.049 1.612 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.111 -0.868 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.457 -0.916 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.079 -2.027 -0.649 1.00 0.00 H new ATOM 1024 N LYS A 66 17.571 1.542 2.060 1.00 0.00 N ATOM 1025 CA LYS A 66 18.867 2.126 2.378 1.00 0.00 C ATOM 1026 C LYS A 66 19.376 1.582 3.701 1.00 0.00 C ATOM 1027 O LYS A 66 20.555 1.262 3.854 1.00 0.00 O ATOM 1028 CB LYS A 66 18.748 3.645 2.480 1.00 0.00 C ATOM 1029 CG LYS A 66 18.909 4.363 1.150 1.00 0.00 C ATOM 1030 CD LYS A 66 18.593 5.847 1.271 1.00 0.00 C ATOM 1031 CE LYS A 66 19.638 6.580 2.096 1.00 0.00 C ATOM 1032 NZ LYS A 66 20.976 6.563 1.442 1.00 0.00 N ATOM 0 H LYS A 66 16.783 2.180 2.173 1.00 0.00 H new ATOM 0 HA LYS A 66 19.566 1.866 1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.775 3.896 2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.502 4.013 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.930 4.236 0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.250 3.910 0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.539 6.290 0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.613 5.974 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.322 7.612 2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.710 6.120 3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.585 7.283 1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.409 5.625 1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.869 6.769 0.428 1.00 0.00 H new ATOM 1046 N LEU A 67 18.461 1.488 4.653 1.00 0.00 N ATOM 1047 CA LEU A 67 18.768 1.002 5.986 1.00 0.00 C ATOM 1048 C LEU A 67 18.527 -0.498 6.070 1.00 0.00 C ATOM 1049 O LEU A 67 18.689 -1.112 7.125 1.00 0.00 O ATOM 1050 CB LEU A 67 17.904 1.759 6.987 1.00 0.00 C ATOM 1051 CG LEU A 67 17.928 3.279 6.806 1.00 0.00 C ATOM 1052 CD1 LEU A 67 17.000 3.954 7.804 1.00 0.00 C ATOM 1053 CD2 LEU A 67 19.348 3.805 6.949 1.00 0.00 C ATOM 0 H LEU A 67 17.483 1.747 4.521 1.00 0.00 H new ATOM 0 HA LEU A 67 19.819 1.175 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.875 1.409 6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.239 1.518 7.996 1.00 0.00 H new ATOM 0 HG LEU A 67 17.573 3.514 5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.032 5.034 7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.981 3.598 7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.321 3.715 8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.350 4.887 6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.729 3.559 7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.984 3.347 6.192 1.00 0.00 H new ATOM 1065 N LYS A 68 18.148 -1.063 4.929 1.00 0.00 N ATOM 1066 CA LYS A 68 17.880 -2.493 4.789 1.00 0.00 C ATOM 1067 C LYS A 68 17.275 -3.113 6.042 1.00 0.00 C ATOM 1068 O LYS A 68 17.986 -3.617 6.914 1.00 0.00 O ATOM 1069 CB LYS A 68 19.158 -3.224 4.411 1.00 0.00 C ATOM 1070 CG LYS A 68 19.341 -3.385 2.917 1.00 0.00 C ATOM 1071 CD LYS A 68 18.319 -4.347 2.331 1.00 0.00 C ATOM 1072 CE LYS A 68 17.760 -3.829 1.017 1.00 0.00 C ATOM 1073 NZ LYS A 68 18.789 -3.817 -0.059 1.00 0.00 N ATOM 0 H LYS A 68 18.016 -0.537 4.065 1.00 0.00 H new ATOM 0 HA LYS A 68 17.139 -2.600 3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 68 20.012 -2.681 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.155 -4.209 4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.248 -2.414 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.347 -3.750 2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.783 -5.321 2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.506 -4.493 3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.920 -4.452 0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.373 -2.820 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.367 -3.457 -0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.579 -3.202 0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.141 -4.783 -0.214 1.00 0.00 H new ATOM 1087 N GLY A 69 15.955 -3.074 6.111 1.00 0.00 N ATOM 1088 CA GLY A 69 15.238 -3.650 7.234 1.00 0.00 C ATOM 1089 C GLY A 69 14.470 -2.618 8.029 1.00 0.00 C ATOM 1090 O GLY A 69 13.355 -2.881 8.482 1.00 0.00 O ATOM 0 H GLY A 69 15.358 -2.649 5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.546 -4.408 6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.946 -4.155 7.891 1.00 0.00 H new ATOM 1094 N GLN A 70 15.067 -1.448 8.206 1.00 0.00 N ATOM 1095 CA GLN A 70 14.425 -0.372 8.948 1.00 0.00 C ATOM 1096 C GLN A 70 13.064 -0.052 8.344 1.00 0.00 C ATOM 1097 O GLN A 70 12.953 0.196 7.143 1.00 0.00 O ATOM 1098 CB GLN A 70 15.309 0.870 8.931 1.00 0.00 C ATOM 1099 CG GLN A 70 14.818 1.985 9.835 1.00 0.00 C ATOM 1100 CD GLN A 70 14.725 1.560 11.288 1.00 0.00 C ATOM 1101 OE1 GLN A 70 15.683 1.696 12.049 1.00 0.00 O ATOM 1102 NE2 GLN A 70 13.567 1.040 11.679 1.00 0.00 N ATOM 0 H GLN A 70 15.994 -1.220 7.847 1.00 0.00 H new ATOM 0 HA GLN A 70 14.282 -0.693 9.980 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.319 0.590 9.231 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.373 1.245 7.909 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.492 2.838 9.752 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.838 2.319 9.494 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.800 0.946 11.014 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.445 0.735 12.645 1.00 0.00 H new ATOM 1111 N VAL A 71 12.031 -0.058 9.177 1.00 0.00 N ATOM 1112 CA VAL A 71 10.683 0.217 8.712 1.00 0.00 C ATOM 1113 C VAL A 71 10.422 1.712 8.590 1.00 0.00 C ATOM 1114 O VAL A 71 10.922 2.518 9.374 1.00 0.00 O ATOM 1115 CB VAL A 71 9.630 -0.397 9.645 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.260 -0.378 8.980 1.00 0.00 C ATOM 1117 CG2 VAL A 71 10.024 -1.811 10.042 1.00 0.00 C ATOM 0 H VAL A 71 12.103 -0.250 10.176 1.00 0.00 H new ATOM 0 HA VAL A 71 10.601 -0.240 7.726 1.00 0.00 H new ATOM 0 HB VAL A 71 9.577 0.203 10.553 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.523 -0.816 9.653 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.979 0.651 8.755 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.296 -0.955 8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.265 -2.228 10.703 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.107 -2.430 9.149 1.00 0.00 H new ATOM 0 HG23 VAL A 71 10.983 -1.790 10.559 1.00 0.00 H new ATOM 1127 N LEU A 72 9.628 2.060 7.590 1.00 0.00 N ATOM 1128 CA LEU A 72 9.263 3.432 7.311 1.00 0.00 C ATOM 1129 C LEU A 72 7.767 3.629 7.488 1.00 0.00 C ATOM 1130 O LEU A 72 6.976 2.743 7.169 1.00 0.00 O ATOM 1131 CB LEU A 72 9.645 3.774 5.874 1.00 0.00 C ATOM 1132 CG LEU A 72 11.074 4.272 5.660 1.00 0.00 C ATOM 1133 CD1 LEU A 72 11.187 5.726 6.060 1.00 0.00 C ATOM 1134 CD2 LEU A 72 12.075 3.423 6.431 1.00 0.00 C ATOM 0 H LEU A 72 9.216 1.387 6.944 1.00 0.00 H new ATOM 0 HA LEU A 72 9.792 4.085 8.005 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.495 2.887 5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.957 4.536 5.508 1.00 0.00 H new ATOM 0 HG LEU A 72 11.310 4.181 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.210 6.068 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.507 6.324 5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.926 5.835 7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.082 3.802 6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.847 3.469 7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.013 2.389 6.091 1.00 0.00 H new ATOM 1146 N SER A 73 7.382 4.788 7.998 1.00 0.00 N ATOM 1147 CA SER A 73 5.975 5.091 8.190 1.00 0.00 C ATOM 1148 C SER A 73 5.620 6.380 7.482 1.00 0.00 C ATOM 1149 O SER A 73 6.073 7.460 7.863 1.00 0.00 O ATOM 1150 CB SER A 73 5.631 5.204 9.669 1.00 0.00 C ATOM 1151 OG SER A 73 4.246 5.003 9.889 1.00 0.00 O ATOM 0 H SER A 73 8.021 5.530 8.285 1.00 0.00 H new ATOM 0 HA SER A 73 5.394 4.272 7.766 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.202 4.469 10.235 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.922 6.187 10.039 1.00 0.00 H new ATOM 0 HG SER A 73 4.052 5.079 10.847 1.00 0.00 H new ATOM 1157 N VAL A 74 4.806 6.259 6.451 1.00 0.00 N ATOM 1158 CA VAL A 74 4.395 7.428 5.676 1.00 0.00 C ATOM 1159 C VAL A 74 2.907 7.396 5.365 1.00 0.00 C ATOM 1160 O VAL A 74 2.363 6.354 5.003 1.00 0.00 O ATOM 1161 CB VAL A 74 5.168 7.536 4.343 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.664 7.642 4.581 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.855 6.354 3.446 1.00 0.00 C ATOM 0 H VAL A 74 4.416 5.374 6.128 1.00 0.00 H new ATOM 0 HA VAL A 74 4.622 8.295 6.296 1.00 0.00 H new ATOM 0 HB VAL A 74 4.842 8.448 3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.180 7.717 3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.876 8.529 5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.012 6.756 5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.409 6.449 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.144 5.430 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.786 6.332 3.233 1.00 0.00 H new ATOM 1173 N MET A 75 2.245 8.537 5.509 1.00 0.00 N ATOM 1174 CA MET A 75 0.827 8.612 5.207 1.00 0.00 C ATOM 1175 C MET A 75 0.616 9.183 3.824 1.00 0.00 C ATOM 1176 O MET A 75 1.129 10.250 3.493 1.00 0.00 O ATOM 1177 CB MET A 75 0.070 9.460 6.220 1.00 0.00 C ATOM 1178 CG MET A 75 -0.032 8.824 7.588 1.00 0.00 C ATOM 1179 SD MET A 75 -1.338 9.550 8.591 1.00 0.00 S ATOM 1180 CE MET A 75 -2.777 9.058 7.647 1.00 0.00 C ATOM 0 H MET A 75 2.663 9.411 5.829 1.00 0.00 H new ATOM 0 HA MET A 75 0.436 7.596 5.255 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.565 10.426 6.314 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.934 9.652 5.842 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.216 7.756 7.475 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.921 8.930 8.106 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.681 9.337 8.189 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.765 9.558 6.679 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.763 7.978 7.498 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.148 8.470 3.023 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.425 8.914 1.663 1.00 0.00 C ATOM 1192 C PHE A 76 -1.870 8.646 1.266 1.00 0.00 C ATOM 1193 O PHE A 76 -2.566 7.853 1.896 1.00 0.00 O ATOM 1194 CB PHE A 76 0.517 8.223 0.680 1.00 0.00 C ATOM 1195 CG PHE A 76 0.145 6.794 0.401 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.447 5.790 1.302 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.519 6.458 -0.766 1.00 0.00 C ATOM 1198 CE1 PHE A 76 0.095 4.485 1.044 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.869 5.152 -1.027 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.560 4.164 -0.117 1.00 0.00 C ATOM 0 H PHE A 76 -0.588 7.587 3.282 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.261 9.991 1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.523 8.779 -0.258 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.532 8.256 1.077 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.965 6.032 2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.766 7.229 -1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.335 3.711 1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.384 4.902 -1.943 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.833 3.139 -0.318 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.304 9.311 0.205 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.661 9.156 -0.302 1.00 0.00 C ATOM 1212 C ARG A 77 -3.707 8.110 -1.414 1.00 0.00 C ATOM 1213 O ARG A 77 -3.237 8.349 -2.526 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.186 10.502 -0.803 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.569 11.448 0.324 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.227 12.893 -0.003 1.00 0.00 C ATOM 1217 NE ARG A 77 -5.078 13.441 -1.055 1.00 0.00 N ATOM 1218 CZ ARG A 77 -5.318 14.743 -1.203 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -4.769 15.618 -0.371 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -6.103 15.169 -2.182 1.00 0.00 N ATOM 0 H ARG A 77 -1.732 9.968 -0.325 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.301 8.810 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.424 10.975 -1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.055 10.333 -1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.638 11.364 0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.053 11.151 1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.329 13.500 0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.184 12.956 -0.313 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.512 12.792 -1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.163 15.294 0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.953 16.615 -0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.526 14.499 -2.825 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.285 16.167 -2.293 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.271 6.948 -1.098 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.377 5.851 -2.055 1.00 0.00 C ATOM 1236 C PHE A 78 -5.688 5.914 -2.830 1.00 0.00 C ATOM 1237 O PHE A 78 -6.748 5.604 -2.287 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.304 4.498 -1.328 1.00 0.00 C ATOM 1239 CG PHE A 78 -4.027 3.324 -2.240 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.971 2.898 -3.165 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.821 2.650 -2.172 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.710 1.822 -3.999 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.555 1.579 -3.003 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.500 1.165 -3.916 1.00 0.00 C ATOM 0 H PHE A 78 -4.664 6.741 -0.180 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.545 5.949 -2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.524 4.547 -0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.246 4.326 -0.807 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.919 3.411 -3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.075 2.966 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.453 1.498 -4.713 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.607 1.066 -2.937 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.294 0.327 -4.566 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.623 6.314 -4.096 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.820 6.351 -4.922 1.00 0.00 C ATOM 1256 C ARG A 79 -7.330 4.928 -5.061 1.00 0.00 C ATOM 1257 O ARG A 79 -6.746 4.121 -5.781 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.520 6.963 -6.292 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.718 6.986 -7.227 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.866 5.670 -7.960 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.621 5.813 -9.201 1.00 0.00 N ATOM 1262 CZ ARG A 79 -8.208 5.338 -10.373 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -7.065 4.668 -10.456 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -8.935 5.533 -11.464 1.00 0.00 N ATOM 0 H ARG A 79 -4.768 6.612 -4.565 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.580 6.978 -4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.159 7.982 -6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.714 6.400 -6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.624 7.191 -6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.605 7.796 -7.948 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.878 5.266 -8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.367 4.950 -7.313 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.514 6.304 -9.168 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.501 4.516 -9.620 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.751 4.305 -11.356 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.813 6.048 -11.406 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.616 5.168 -12.361 1.00 0.00 H new ATOM 1278 N SER A 80 -8.408 4.620 -4.356 1.00 0.00 N ATOM 1279 CA SER A 80 -8.957 3.281 -4.368 1.00 0.00 C ATOM 1280 C SER A 80 -9.826 2.995 -5.576 1.00 0.00 C ATOM 1281 O SER A 80 -9.909 3.782 -6.517 1.00 0.00 O ATOM 1282 CB SER A 80 -9.769 3.045 -3.106 1.00 0.00 C ATOM 1283 OG SER A 80 -11.091 3.536 -3.247 1.00 0.00 O ATOM 0 H SER A 80 -8.917 5.282 -3.770 1.00 0.00 H new ATOM 0 HA SER A 80 -8.106 2.602 -4.417 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.796 1.979 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.284 3.535 -2.262 1.00 0.00 H new ATOM 0 HG SER A 80 -11.592 3.369 -2.421 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.474 1.842 -5.516 1.00 0.00 N ATOM 1290 CA LYS A 81 -11.349 1.382 -6.572 1.00 0.00 C ATOM 1291 C LYS A 81 -12.561 2.296 -6.676 1.00 0.00 C ATOM 1292 O LYS A 81 -13.204 2.386 -7.723 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.777 -0.057 -6.296 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.390 -0.716 -7.500 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.602 -1.937 -7.913 1.00 0.00 C ATOM 1296 CE LYS A 81 -12.284 -2.659 -9.049 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.562 -3.292 -8.623 1.00 0.00 N ATOM 0 H LYS A 81 -10.404 1.199 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.816 1.409 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.911 -0.634 -5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.494 -0.068 -5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.418 -1.001 -7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.427 -0.007 -8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.597 -1.641 -8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.493 -2.610 -7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.480 -1.956 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.616 -3.423 -9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.876 -3.965 -9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.417 -3.796 -7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.287 -2.558 -8.495 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.860 2.980 -5.575 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.976 3.911 -5.528 1.00 0.00 C ATOM 1313 C ASN A 82 -13.537 5.277 -6.037 1.00 0.00 C ATOM 1314 O ASN A 82 -14.320 6.227 -6.070 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.508 4.034 -4.099 1.00 0.00 C ATOM 1316 CG ASN A 82 -14.981 2.706 -3.536 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -14.907 2.471 -2.330 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -15.470 1.829 -4.407 1.00 0.00 N ATOM 0 H ASN A 82 -12.340 2.904 -4.701 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.773 3.531 -6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.725 4.438 -3.457 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.333 4.746 -4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -15.802 0.920 -4.084 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.513 2.065 -5.398 1.00 0.00 H new ATOM 1325 N GLN A 83 -12.264 5.358 -6.427 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.681 6.592 -6.948 1.00 0.00 C ATOM 1327 C GLN A 83 -11.670 7.669 -5.871 1.00 0.00 C ATOM 1328 O GLN A 83 -12.044 8.816 -6.117 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.452 7.074 -8.182 1.00 0.00 C ATOM 1330 CG GLN A 83 -13.013 5.943 -9.032 1.00 0.00 C ATOM 1331 CD GLN A 83 -12.807 6.162 -10.516 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -13.610 6.820 -11.177 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -11.730 5.597 -11.048 1.00 0.00 N ATOM 0 H GLN A 83 -11.613 4.574 -6.390 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.652 6.389 -7.245 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.272 7.716 -7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.791 7.685 -8.797 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.539 5.006 -8.739 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.079 5.838 -8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.092 5.060 -10.460 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.540 5.700 -12.045 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.231 7.287 -4.676 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.172 8.206 -3.549 1.00 0.00 C ATOM 1344 C GLU A 84 -9.793 8.192 -2.902 1.00 0.00 C ATOM 1345 O GLU A 84 -9.176 7.135 -2.762 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.228 7.829 -2.515 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.648 7.857 -3.054 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.681 7.546 -1.988 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -14.866 6.352 -1.671 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -15.305 8.497 -1.470 1.00 0.00 O ATOM 0 H GLU A 84 -10.910 6.342 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.367 9.212 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.012 6.830 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.156 8.513 -1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.853 8.840 -3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.739 7.135 -3.865 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.311 9.368 -2.512 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.008 9.483 -1.872 1.00 0.00 C ATOM 1359 C TRP A 85 -8.040 8.868 -0.477 1.00 0.00 C ATOM 1360 O TRP A 85 -8.228 9.564 0.522 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.580 10.950 -1.803 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.162 11.515 -3.123 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.605 12.662 -3.709 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.211 10.953 -4.016 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -6.981 12.844 -4.923 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.117 11.801 -5.132 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.432 9.809 -3.970 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.263 11.531 -6.200 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.584 9.536 -5.024 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.505 10.395 -6.127 1.00 0.00 C ATOM 0 H TRP A 85 -9.804 10.253 -2.628 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.278 8.936 -2.469 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.406 11.542 -1.409 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -6.754 11.046 -1.098 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.338 13.331 -3.284 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.136 13.625 -5.560 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.487 9.141 -3.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.202 12.193 -7.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -3.972 8.646 -4.998 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.832 10.156 -6.937 1.00 0.00 H new ATOM 1381 N LEU A 86 -7.853 7.554 -0.424 1.00 0.00 N ATOM 1382 CA LEU A 86 -7.870 6.814 0.832 1.00 0.00 C ATOM 1383 C LEU A 86 -6.597 7.031 1.637 1.00 0.00 C ATOM 1384 O LEU A 86 -5.555 6.467 1.316 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.034 5.318 0.551 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.379 4.893 -0.050 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.667 3.444 0.300 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.505 5.795 0.432 1.00 0.00 C ATOM 0 H LEU A 86 -7.686 6.974 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.711 7.185 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.240 5.006 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.887 4.774 1.484 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.318 4.990 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.624 3.149 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.877 2.809 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.707 3.332 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.447 5.470 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.576 5.739 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.300 6.823 0.134 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.680 7.830 2.698 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.515 8.073 3.527 1.00 0.00 C ATOM 1402 C TRP A 87 -5.067 6.782 4.173 1.00 0.00 C ATOM 1403 O TRP A 87 -5.843 6.094 4.832 1.00 0.00 O ATOM 1404 CB TRP A 87 -5.792 9.126 4.588 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.452 10.509 4.131 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.326 11.464 3.703 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.142 11.085 4.035 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -5.643 12.602 3.347 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.301 12.395 3.541 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -2.847 10.625 4.317 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.220 13.245 3.322 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -1.779 11.474 4.097 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -1.971 12.768 3.604 1.00 0.00 C ATOM 0 H TRP A 87 -7.529 8.310 2.996 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.719 8.453 2.887 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -6.845 9.088 4.865 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.218 8.892 5.485 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.398 11.344 3.651 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.065 13.461 2.995 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -2.688 9.627 4.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.364 14.246 2.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -0.777 11.131 4.310 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.114 13.404 3.443 1.00 0.00 H new ATOM 1424 N MET A 88 -3.807 6.465 3.969 1.00 0.00 N ATOM 1425 CA MET A 88 -3.229 5.244 4.497 1.00 0.00 C ATOM 1426 C MET A 88 -1.869 5.498 5.106 1.00 0.00 C ATOM 1427 O MET A 88 -1.218 6.497 4.818 1.00 0.00 O ATOM 1428 CB MET A 88 -3.072 4.215 3.382 1.00 0.00 C ATOM 1429 CG MET A 88 -4.345 3.939 2.618 1.00 0.00 C ATOM 1430 SD MET A 88 -5.242 2.505 3.218 1.00 0.00 S ATOM 1431 CE MET A 88 -6.551 2.449 2.003 1.00 0.00 C ATOM 0 H MET A 88 -3.156 7.041 3.436 1.00 0.00 H new ATOM 0 HA MET A 88 -3.902 4.870 5.268 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.310 4.563 2.685 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.708 3.282 3.811 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.992 4.814 2.678 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.103 3.792 1.565 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.654 1.432 1.625 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.488 2.761 2.463 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.311 3.120 1.178 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.459 4.574 5.949 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.163 4.635 6.591 1.00 0.00 C ATOM 1443 C ARG A 89 0.644 3.421 6.161 1.00 0.00 C ATOM 1444 O ARG A 89 0.221 2.286 6.377 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.316 4.643 8.109 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.258 5.714 8.618 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.700 6.386 9.856 1.00 0.00 C ATOM 1448 NE ARG A 89 -0.661 5.481 11.003 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.402 5.877 12.247 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -0.159 7.156 12.501 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.385 4.994 13.235 1.00 0.00 N ATOM 0 H ARG A 89 -2.015 3.759 6.209 1.00 0.00 H new ATOM 0 HA ARG A 89 0.347 5.552 6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.678 3.668 8.434 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.664 4.787 8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.423 6.458 7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.228 5.272 8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.306 6.750 9.648 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.309 7.256 10.102 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.842 4.490 10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.170 7.838 11.742 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.039 7.458 13.455 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.571 4.010 13.043 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.186 5.299 14.188 1.00 0.00 H new ATOM 1465 N THR A 90 1.801 3.646 5.562 1.00 0.00 N ATOM 1466 CA THR A 90 2.608 2.535 5.079 1.00 0.00 C ATOM 1467 C THR A 90 3.674 2.100 6.060 1.00 0.00 C ATOM 1468 O THR A 90 4.334 2.930 6.695 1.00 0.00 O ATOM 1469 CB THR A 90 3.320 2.867 3.766 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.572 3.502 4.034 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.465 3.764 2.907 1.00 0.00 C ATOM 0 H THR A 90 2.199 4.571 5.400 1.00 0.00 H new ATOM 0 HA THR A 90 1.890 1.727 4.936 1.00 0.00 H new ATOM 0 HB THR A 90 3.497 1.936 3.227 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.304 2.919 3.743 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.991 3.987 1.979 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.525 3.262 2.680 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.261 4.692 3.441 1.00 0.00 H new ATOM 1479 N SER A 91 3.831 0.782 6.147 1.00 0.00 N ATOM 1480 CA SER A 91 4.842 0.154 6.978 1.00 0.00 C ATOM 1481 C SER A 91 5.836 -0.533 6.050 1.00 0.00 C ATOM 1482 O SER A 91 5.890 -1.762 5.966 1.00 0.00 O ATOM 1483 CB SER A 91 4.200 -0.855 7.934 1.00 0.00 C ATOM 1484 OG SER A 91 3.965 -0.276 9.207 1.00 0.00 O ATOM 0 H SER A 91 3.251 0.117 5.635 1.00 0.00 H new ATOM 0 HA SER A 91 5.351 0.898 7.590 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.259 -1.211 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.850 -1.724 8.041 1.00 0.00 H new ATOM 0 HG SER A 91 3.553 -0.941 9.798 1.00 0.00 H new ATOM 1490 N SER A 92 6.611 0.285 5.341 1.00 0.00 N ATOM 1491 CA SER A 92 7.576 -0.200 4.362 1.00 0.00 C ATOM 1492 C SER A 92 8.890 -0.640 5.005 1.00 0.00 C ATOM 1493 O SER A 92 9.555 0.133 5.683 1.00 0.00 O ATOM 1494 CB SER A 92 7.848 0.889 3.329 1.00 0.00 C ATOM 1495 OG SER A 92 6.703 1.700 3.133 1.00 0.00 O ATOM 0 H SER A 92 6.586 1.301 5.430 1.00 0.00 H new ATOM 0 HA SER A 92 7.141 -1.077 3.882 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.684 1.507 3.658 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.141 0.433 2.383 1.00 0.00 H new ATOM 0 HG SER A 92 6.746 2.118 2.248 1.00 0.00 H new ATOM 1501 N GLN A 93 9.246 -1.892 4.781 1.00 0.00 N ATOM 1502 CA GLN A 93 10.488 -2.458 5.296 1.00 0.00 C ATOM 1503 C GLN A 93 10.899 -3.635 4.429 1.00 0.00 C ATOM 1504 O GLN A 93 10.048 -4.392 3.973 1.00 0.00 O ATOM 1505 CB GLN A 93 10.333 -2.910 6.745 1.00 0.00 C ATOM 1506 CG GLN A 93 9.246 -3.952 6.946 1.00 0.00 C ATOM 1507 CD GLN A 93 9.376 -4.689 8.262 1.00 0.00 C ATOM 1508 OE1 GLN A 93 8.386 -5.134 8.843 1.00 0.00 O ATOM 1509 NE2 GLN A 93 10.604 -4.822 8.736 1.00 0.00 N ATOM 0 H GLN A 93 8.685 -2.548 4.238 1.00 0.00 H new ATOM 0 HA GLN A 93 11.258 -1.687 5.267 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.283 -3.316 7.093 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.111 -2.042 7.366 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.271 -3.467 6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.282 -4.671 6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.395 -4.437 8.219 1.00 0.00 H new ATOM 0 HE22 GLN A 93 10.760 -5.310 9.618 1.00 0.00 H new ATOM 1518 N THR A 94 12.199 -3.798 4.218 1.00 0.00 N ATOM 1519 CA THR A 94 12.706 -4.875 3.381 1.00 0.00 C ATOM 1520 C THR A 94 11.996 -6.189 3.662 1.00 0.00 C ATOM 1521 O THR A 94 12.004 -6.693 4.785 1.00 0.00 O ATOM 1522 CB THR A 94 14.212 -5.047 3.577 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.484 -5.611 4.866 1.00 0.00 O ATOM 1524 CG2 THR A 94 14.898 -3.701 3.449 1.00 0.00 C ATOM 0 H THR A 94 12.921 -3.197 4.616 1.00 0.00 H new ATOM 0 HA THR A 94 12.508 -4.599 2.345 1.00 0.00 H new ATOM 0 HB THR A 94 14.594 -5.723 2.812 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.667 -6.015 5.226 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.972 -3.825 3.589 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.707 -3.288 2.459 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.509 -3.021 4.207 1.00 0.00 H new ATOM 1532 N ALA A 95 11.376 -6.722 2.616 1.00 0.00 N ATOM 1533 CA ALA A 95 10.633 -7.971 2.696 1.00 0.00 C ATOM 1534 C ALA A 95 11.429 -9.072 3.386 1.00 0.00 C ATOM 1535 O ALA A 95 12.635 -8.945 3.604 1.00 0.00 O ATOM 1536 CB ALA A 95 10.231 -8.411 1.303 1.00 0.00 C ATOM 0 H ALA A 95 11.375 -6.299 1.688 1.00 0.00 H new ATOM 0 HA ALA A 95 9.744 -7.792 3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.675 -9.346 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.605 -7.645 0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.124 -8.559 0.696 1.00 0.00 H new ATOM 1542 N GLN A 96 10.741 -10.156 3.716 1.00 0.00 N ATOM 1543 CA GLN A 96 11.362 -11.290 4.382 1.00 0.00 C ATOM 1544 C GLN A 96 12.425 -11.931 3.508 1.00 0.00 C ATOM 1545 O GLN A 96 13.595 -11.551 3.560 1.00 0.00 O ATOM 1546 CB GLN A 96 10.297 -12.311 4.759 1.00 0.00 C ATOM 1547 CG GLN A 96 9.045 -11.684 5.348 1.00 0.00 C ATOM 1548 CD GLN A 96 8.094 -12.713 5.927 1.00 0.00 C ATOM 1549 OE1 GLN A 96 6.878 -12.527 5.913 1.00 0.00 O ATOM 1550 NE2 GLN A 96 8.647 -13.801 6.448 1.00 0.00 N ATOM 0 H GLN A 96 9.745 -10.273 3.531 1.00 0.00 H new ATOM 0 HA GLN A 96 11.852 -10.930 5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.025 -12.886 3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.716 -13.014 5.479 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.329 -10.978 6.128 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.530 -11.114 4.575 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.661 -13.913 6.437 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.058 -14.525 6.859 1.00 0.00 H new ATOM 1619 N ASP A 101 15.507 -8.187 -0.810 1.00 0.00 N ATOM 1620 CA ASP A 101 15.923 -7.024 -1.586 1.00 0.00 C ATOM 1621 C ASP A 101 14.707 -6.174 -1.935 1.00 0.00 C ATOM 1622 O ASP A 101 14.830 -5.074 -2.474 1.00 0.00 O ATOM 1623 CB ASP A 101 16.643 -7.465 -2.864 1.00 0.00 C ATOM 1624 CG ASP A 101 17.214 -6.295 -3.643 1.00 0.00 C ATOM 1625 OD1 ASP A 101 18.356 -5.887 -3.350 1.00 0.00 O ATOM 1626 OD2 ASP A 101 16.518 -5.791 -4.549 1.00 0.00 O ATOM 0 HA ASP A 101 16.613 -6.430 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.448 -8.152 -2.605 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.947 -8.014 -3.498 1.00 0.00 H new ATOM 1631 N GLU A 102 13.531 -6.705 -1.614 1.00 0.00 N ATOM 1632 CA GLU A 102 12.273 -6.019 -1.879 1.00 0.00 C ATOM 1633 C GLU A 102 11.883 -5.134 -0.716 1.00 0.00 C ATOM 1634 O GLU A 102 12.712 -4.774 0.119 1.00 0.00 O ATOM 1635 CB GLU A 102 11.145 -7.020 -2.122 1.00 0.00 C ATOM 1636 CG GLU A 102 11.399 -7.936 -3.285 1.00 0.00 C ATOM 1637 CD GLU A 102 10.125 -8.419 -3.949 1.00 0.00 C ATOM 1638 OE1 GLU A 102 9.157 -8.727 -3.224 1.00 0.00 O ATOM 1639 OE2 GLU A 102 10.099 -8.496 -5.195 1.00 0.00 O ATOM 0 H GLU A 102 13.424 -7.615 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 102 12.423 -5.410 -2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.001 -7.619 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.217 -6.475 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.012 -7.417 -4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.973 -8.797 -2.943 1.00 0.00 H new ATOM 1646 N ILE A 103 10.603 -4.800 -0.674 1.00 0.00 N ATOM 1647 CA ILE A 103 10.070 -3.947 0.382 1.00 0.00 C ATOM 1648 C ILE A 103 8.620 -4.281 0.711 1.00 0.00 C ATOM 1649 O ILE A 103 7.707 -3.988 -0.060 1.00 0.00 O ATOM 1650 CB ILE A 103 10.163 -2.449 0.006 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.615 -2.063 -0.295 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.578 -1.571 1.113 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.790 -0.676 -0.873 1.00 0.00 C ATOM 0 H ILE A 103 9.911 -5.106 -1.359 1.00 0.00 H new ATOM 0 HA ILE A 103 10.685 -4.139 1.261 1.00 0.00 H new ATOM 0 HB ILE A 103 9.572 -2.283 -0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.195 -2.135 0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.033 -2.789 -0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.655 -0.523 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.530 -1.829 1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.131 -1.735 2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 103 12.848 -0.488 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.242 -0.601 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.406 0.063 -0.169 1.00 0.00 H new ATOM 1665 N GLU A 104 8.430 -4.909 1.865 1.00 0.00 N ATOM 1666 CA GLU A 104 7.109 -5.259 2.351 1.00 0.00 C ATOM 1667 C GLU A 104 6.448 -4.026 2.952 1.00 0.00 C ATOM 1668 O GLU A 104 6.826 -3.572 4.032 1.00 0.00 O ATOM 1669 CB GLU A 104 7.221 -6.348 3.409 1.00 0.00 C ATOM 1670 CG GLU A 104 5.954 -7.164 3.575 1.00 0.00 C ATOM 1671 CD GLU A 104 6.119 -8.311 4.554 1.00 0.00 C ATOM 1672 OE1 GLU A 104 6.057 -8.062 5.775 1.00 0.00 O ATOM 1673 OE2 GLU A 104 6.313 -9.457 4.097 1.00 0.00 O ATOM 0 H GLU A 104 9.189 -5.188 2.487 1.00 0.00 H new ATOM 0 HA GLU A 104 6.505 -5.628 1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.042 -7.016 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.476 -5.890 4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.150 -6.513 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.652 -7.560 2.605 1.00 0.00 H new ATOM 1680 N THR A 105 5.465 -3.489 2.251 1.00 0.00 N ATOM 1681 CA THR A 105 4.773 -2.293 2.701 1.00 0.00 C ATOM 1682 C THR A 105 3.342 -2.596 3.129 1.00 0.00 C ATOM 1683 O THR A 105 2.511 -3.000 2.315 1.00 0.00 O ATOM 1684 CB THR A 105 4.777 -1.223 1.594 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.096 -0.685 1.462 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.798 -0.098 1.890 1.00 0.00 C ATOM 0 H THR A 105 5.127 -3.864 1.365 1.00 0.00 H new ATOM 0 HA THR A 105 5.308 -1.913 3.571 1.00 0.00 H new ATOM 0 HB THR A 105 4.465 -1.699 0.664 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.210 -0.317 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.832 0.635 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.790 -0.504 1.968 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.069 0.383 2.830 1.00 0.00 H new ATOM 1694 N ILE A 106 3.061 -2.396 4.415 1.00 0.00 N ATOM 1695 CA ILE A 106 1.725 -2.634 4.949 1.00 0.00 C ATOM 1696 C ILE A 106 0.905 -1.354 4.927 1.00 0.00 C ATOM 1697 O ILE A 106 1.082 -0.474 5.771 1.00 0.00 O ATOM 1698 CB ILE A 106 1.752 -3.183 6.392 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.414 -4.563 6.432 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.333 -3.256 6.955 1.00 0.00 C ATOM 1701 CD1 ILE A 106 3.918 -4.526 6.261 1.00 0.00 C ATOM 0 H ILE A 106 3.740 -2.071 5.104 1.00 0.00 H new ATOM 0 HA ILE A 106 1.268 -3.387 4.307 1.00 0.00 H new ATOM 0 HB ILE A 106 2.340 -2.504 7.010 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.178 -5.041 7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.984 -5.185 5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.365 -3.645 7.973 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.108 -2.259 6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.272 -3.916 6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.314 -5.541 6.301 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.164 -4.078 5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.361 -3.932 7.061 1.00 0.00 H new ATOM 1713 N ILE A 107 0.009 -1.256 3.957 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.840 -0.085 3.824 1.00 0.00 C ATOM 1715 C ILE A 107 -2.060 -0.181 4.741 1.00 0.00 C ATOM 1716 O ILE A 107 -2.947 -1.001 4.516 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.299 0.086 2.375 1.00 0.00 C ATOM 1718 CG1 ILE A 107 -0.082 0.252 1.469 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.227 1.282 2.260 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.417 0.171 0.002 1.00 0.00 C ATOM 0 H ILE A 107 -0.148 -1.975 3.250 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.251 0.784 4.118 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.849 -0.801 2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.387 1.214 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.650 -0.518 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.548 1.395 1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.099 1.128 2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.701 2.182 2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.492 0.297 -0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.859 -0.801 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.126 0.958 -0.253 1.00 0.00 H new ATOM 1732 N CYS A 108 -2.107 0.671 5.764 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.211 0.662 6.725 1.00 0.00 C ATOM 1734 C CYS A 108 -4.147 1.856 6.540 1.00 0.00 C ATOM 1735 O CYS A 108 -3.705 2.999 6.470 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.653 0.668 8.149 1.00 0.00 C ATOM 1737 SG CYS A 108 -3.891 0.976 9.431 1.00 0.00 S ATOM 0 H CYS A 108 -1.394 1.376 5.949 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.791 -0.244 6.549 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -2.176 -0.292 8.344 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -1.876 1.430 8.219 1.00 0.00 H new ATOM 0 HG CYS A 108 -4.976 0.315 9.154 1.00 0.00 H new ATOM 1743 N THR A 109 -5.448 1.577 6.473 1.00 0.00 N ATOM 1744 CA THR A 109 -6.454 2.627 6.317 1.00 0.00 C ATOM 1745 C THR A 109 -6.439 3.567 7.517 1.00 0.00 C ATOM 1746 O THR A 109 -6.319 3.123 8.659 1.00 0.00 O ATOM 1747 CB THR A 109 -7.867 2.030 6.168 1.00 0.00 C ATOM 1748 OG1 THR A 109 -8.173 1.205 7.299 1.00 0.00 O ATOM 1749 CG2 THR A 109 -7.971 1.209 4.896 1.00 0.00 C ATOM 0 H THR A 109 -5.830 0.633 6.524 1.00 0.00 H new ATOM 0 HA THR A 109 -6.205 3.182 5.412 1.00 0.00 H new ATOM 0 HB THR A 109 -8.582 2.851 6.114 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.073 0.831 7.197 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.976 0.797 4.810 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.765 1.845 4.035 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.247 0.395 4.928 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.564 4.865 7.258 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.557 5.860 8.330 1.00 0.00 C ATOM 1759 C ASN A 110 -7.722 6.829 8.203 1.00 0.00 C ATOM 1760 O ASN A 110 -7.789 7.593 7.244 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.259 6.659 8.309 1.00 0.00 C ATOM 1762 CG ASN A 110 -4.985 7.335 9.641 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -5.909 7.747 10.342 1.00 0.00 O ATOM 1764 ND2 ASN A 110 -3.712 7.447 10.001 1.00 0.00 N ATOM 0 H ASN A 110 -6.671 5.253 6.321 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.648 5.315 9.270 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.430 5.997 8.061 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.310 7.413 7.524 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.470 7.888 10.888 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -2.976 7.092 9.390 1.00 0.00 H new