USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 598 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 92 ASN : amide:sc= 1.23 K(o=2.9,f=-1.5) USER MOD Set 1.2: A 93 GLN : amide:sc= 1.71 K(o=2.9,f=-1.5!) USER MOD Single : A 30 SER OG : rot 41:sc= 0.899 USER MOD Single : A 31 ASN : amide:sc= 1.05 K(o=1,f=-3.6!) USER MOD Single : A 32 THR OG1 : rot -69:sc= 0.734 USER MOD Single : A 44 GLN : amide:sc= 0.321 X(o=0.32,f=-0.021) USER MOD Single : A 46 SER OG : rot 75:sc= 1.36 USER MOD Single : A 49 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 58 MET CE :methyl -175:sc= -1.72 (180deg=-1.96) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.15) USER MOD Single : A 62 LYS NZ :NH3+ 177:sc= 1.93 (180deg=1.84) USER MOD Single : A 65 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.28) USER MOD Single : A 77 SER OG : rot -98:sc= 1.6 USER MOD Single : A 80 LYS NZ :NH3+ 173:sc= 1.85 (180deg=1.65) USER MOD Single : A 86 HIS : no HE2:sc= 0.6 K(o=0.6,f=-3.3!) USER MOD Single : A 88 LYS NZ :NH3+ 172:sc= 0.764 (180deg=0.64) USER MOD Single : A 89 SER OG : rot 46:sc= 0.145 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 73:sc= 0.304 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 28 4.024 14.877 11.401 1.00 0.00 N ATOM 2 CA GLU A 28 4.643 14.298 10.177 1.00 0.00 C ATOM 3 C GLU A 28 5.159 12.877 10.423 1.00 0.00 C ATOM 4 O GLU A 28 5.615 12.551 11.518 1.00 0.00 O ATOM 5 CB GLU A 28 5.796 15.162 9.617 1.00 0.00 C ATOM 6 CG GLU A 28 5.466 16.641 9.367 1.00 0.00 C ATOM 7 CD GLU A 28 4.096 16.811 8.697 1.00 0.00 C ATOM 8 OE1 GLU A 28 3.993 16.636 7.461 1.00 0.00 O ATOM 9 OE2 GLU A 28 3.110 17.032 9.444 1.00 0.00 O ATOM 0 HA GLU A 28 3.845 14.274 9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.634 15.109 10.312 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.132 14.721 8.678 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.478 17.182 10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.237 17.084 8.737 1.00 0.00 H new ATOM 16 N LEU A 29 5.101 12.036 9.382 1.00 0.00 N ATOM 17 CA LEU A 29 5.608 10.652 9.366 1.00 0.00 C ATOM 18 C LEU A 29 6.103 10.300 7.949 1.00 0.00 C ATOM 19 O LEU A 29 7.265 9.958 7.734 1.00 0.00 O ATOM 20 CB LEU A 29 4.441 9.729 9.809 1.00 0.00 C ATOM 21 CG LEU A 29 4.748 8.260 10.177 1.00 0.00 C ATOM 22 CD1 LEU A 29 5.805 7.561 9.327 1.00 0.00 C ATOM 23 CD2 LEU A 29 5.176 8.148 11.639 1.00 0.00 C ATOM 0 H LEU A 29 4.684 12.309 8.492 1.00 0.00 H new ATOM 0 HA LEU A 29 6.452 10.526 10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.964 10.192 10.673 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.705 9.720 9.005 1.00 0.00 H new ATOM 0 HG LEU A 29 3.805 7.750 9.980 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.935 6.537 9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.485 7.550 8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.751 8.096 9.410 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.387 7.106 11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.072 8.747 11.803 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.374 8.512 12.282 1.00 0.00 H new ATOM 35 N SER A 30 5.181 10.430 6.998 1.00 0.00 N ATOM 36 CA SER A 30 5.299 10.253 5.544 1.00 0.00 C ATOM 37 C SER A 30 3.968 10.643 4.873 1.00 0.00 C ATOM 38 O SER A 30 3.939 11.101 3.740 1.00 0.00 O ATOM 39 CB SER A 30 5.644 8.803 5.154 1.00 0.00 C ATOM 40 OG SER A 30 7.027 8.546 5.321 1.00 0.00 O ATOM 0 H SER A 30 4.228 10.690 7.250 1.00 0.00 H new ATOM 0 HA SER A 30 6.112 10.894 5.204 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.066 8.111 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.360 8.625 4.117 1.00 0.00 H new ATOM 0 HG SER A 30 7.341 8.971 6.146 1.00 0.00 H new ATOM 46 N ASN A 31 2.865 10.492 5.626 1.00 0.00 N ATOM 47 CA ASN A 31 1.508 10.999 5.377 1.00 0.00 C ATOM 48 C ASN A 31 0.799 10.456 4.120 1.00 0.00 C ATOM 49 O ASN A 31 -0.314 10.886 3.816 1.00 0.00 O ATOM 50 CB ASN A 31 1.499 12.545 5.385 1.00 0.00 C ATOM 51 CG ASN A 31 2.430 13.276 6.355 1.00 0.00 C ATOM 52 OD1 ASN A 31 2.945 12.764 7.348 1.00 0.00 O ATOM 53 ND2 ASN A 31 2.693 14.527 6.060 1.00 0.00 N ATOM 0 H ASN A 31 2.906 9.967 6.499 1.00 0.00 H new ATOM 0 HA ASN A 31 0.917 10.608 6.205 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.739 12.883 4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.480 12.869 5.596 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.321 15.069 6.653 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.269 14.957 5.238 1.00 0.00 H new ATOM 60 N THR A 32 1.420 9.534 3.369 1.00 0.00 N ATOM 61 CA THR A 32 1.011 9.189 1.994 1.00 0.00 C ATOM 62 C THR A 32 1.313 7.742 1.561 1.00 0.00 C ATOM 63 O THR A 32 1.400 7.504 0.358 1.00 0.00 O ATOM 64 CB THR A 32 1.751 10.132 1.012 1.00 0.00 C ATOM 65 OG1 THR A 32 3.153 10.015 1.162 1.00 0.00 O ATOM 66 CG2 THR A 32 1.401 11.615 1.138 1.00 0.00 C ATOM 0 H THR A 32 2.226 9.002 3.698 1.00 0.00 H new ATOM 0 HA THR A 32 -0.073 9.300 1.975 1.00 0.00 H new ATOM 0 HB THR A 32 1.412 9.799 0.031 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.423 10.396 2.023 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.972 12.187 0.407 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.336 11.754 0.955 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.645 11.962 2.142 1.00 0.00 H new ATOM 74 N ARG A 33 1.478 6.750 2.463 1.00 0.00 N ATOM 75 CA ARG A 33 2.101 5.464 2.054 1.00 0.00 C ATOM 76 C ARG A 33 1.424 4.204 2.560 1.00 0.00 C ATOM 77 O ARG A 33 1.120 4.064 3.729 1.00 0.00 O ATOM 78 CB ARG A 33 3.570 5.466 2.496 1.00 0.00 C ATOM 79 CG ARG A 33 4.527 5.990 1.444 1.00 0.00 C ATOM 80 CD ARG A 33 5.925 6.174 2.018 1.00 0.00 C ATOM 81 NE ARG A 33 6.931 6.373 0.965 1.00 0.00 N ATOM 82 CZ ARG A 33 8.215 6.110 1.078 1.00 0.00 C ATOM 83 NH1 ARG A 33 8.776 5.823 2.213 1.00 0.00 N ATOM 84 NH2 ARG A 33 8.949 6.121 0.013 1.00 0.00 N ATOM 0 H ARG A 33 1.202 6.805 3.443 1.00 0.00 H new ATOM 0 HA ARG A 33 1.990 5.420 0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.668 6.073 3.396 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.860 4.450 2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.564 5.297 0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.161 6.941 1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.930 7.031 2.691 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.191 5.300 2.613 1.00 0.00 H new ATOM 0 HE ARG A 33 6.607 6.746 0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.217 5.795 3.066 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.776 5.626 2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.530 6.331 -0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.947 5.920 0.079 1.00 0.00 H new ATOM 98 N LEU A 34 1.270 3.210 1.703 1.00 0.00 N ATOM 99 CA LEU A 34 0.413 2.059 1.985 1.00 0.00 C ATOM 100 C LEU A 34 1.206 0.744 2.083 1.00 0.00 C ATOM 101 O LEU A 34 1.820 0.344 1.099 1.00 0.00 O ATOM 102 CB LEU A 34 -0.737 2.042 0.972 1.00 0.00 C ATOM 103 CG LEU A 34 -1.424 3.397 0.616 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.709 4.344 1.791 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.681 4.132 -0.506 1.00 0.00 C ATOM 0 H LEU A 34 1.731 3.172 0.794 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.028 2.158 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.360 1.606 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.505 1.368 1.351 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.411 3.093 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.187 5.251 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.370 3.851 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.772 4.603 2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.190 5.071 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.342 4.339 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.666 3.510 -1.401 1.00 0.00 H new ATOM 117 N PHE A 35 1.174 0.073 3.248 1.00 0.00 N ATOM 118 CA PHE A 35 2.029 -1.059 3.621 1.00 0.00 C ATOM 119 C PHE A 35 1.151 -2.301 3.534 1.00 0.00 C ATOM 120 O PHE A 35 0.296 -2.620 4.357 1.00 0.00 O ATOM 121 CB PHE A 35 2.784 -0.800 4.945 1.00 0.00 C ATOM 122 CG PHE A 35 3.485 -1.978 5.602 1.00 0.00 C ATOM 123 CD1 PHE A 35 4.128 -2.968 4.832 1.00 0.00 C ATOM 124 CD2 PHE A 35 3.598 -2.018 7.008 1.00 0.00 C ATOM 125 CE1 PHE A 35 4.868 -3.987 5.454 1.00 0.00 C ATOM 126 CE2 PHE A 35 4.349 -3.030 7.631 1.00 0.00 C ATOM 127 CZ PHE A 35 4.983 -4.017 6.853 1.00 0.00 C ATOM 0 H PHE A 35 0.518 0.321 3.989 1.00 0.00 H new ATOM 0 HA PHE A 35 2.866 -1.214 2.941 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.530 -0.027 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.072 -0.391 5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.051 -2.943 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.105 -1.268 7.608 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.348 -4.747 4.856 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.440 -3.050 8.707 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.557 -4.796 7.332 1.00 0.00 H new ATOM 137 N VAL A 36 1.326 -2.950 2.400 1.00 0.00 N ATOM 138 CA VAL A 36 0.404 -3.905 1.802 1.00 0.00 C ATOM 139 C VAL A 36 1.193 -5.183 1.536 1.00 0.00 C ATOM 140 O VAL A 36 1.926 -5.312 0.557 1.00 0.00 O ATOM 141 CB VAL A 36 -0.168 -3.102 0.613 1.00 0.00 C ATOM 142 CG1 VAL A 36 -0.897 -3.784 -0.496 1.00 0.00 C ATOM 143 CG2 VAL A 36 -1.204 -2.093 1.153 1.00 0.00 C ATOM 0 H VAL A 36 2.165 -2.819 1.835 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.443 -4.272 2.381 1.00 0.00 H new ATOM 0 HB VAL A 36 0.755 -2.724 0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.217 -3.044 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.237 -4.508 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.770 -4.298 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.618 -1.518 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.007 -2.631 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.720 -1.417 1.858 1.00 0.00 H new ATOM 153 N ARG A 37 1.093 -6.107 2.489 1.00 0.00 N ATOM 154 CA ARG A 37 1.977 -7.281 2.672 1.00 0.00 C ATOM 155 C ARG A 37 1.384 -8.702 2.892 1.00 0.00 C ATOM 156 O ARG A 37 2.179 -9.606 3.149 1.00 0.00 O ATOM 157 CB ARG A 37 2.931 -6.916 3.826 1.00 0.00 C ATOM 158 CG ARG A 37 2.168 -6.597 5.131 1.00 0.00 C ATOM 159 CD ARG A 37 2.706 -7.328 6.368 1.00 0.00 C ATOM 160 NE ARG A 37 1.717 -7.270 7.459 1.00 0.00 N ATOM 161 CZ ARG A 37 1.453 -6.240 8.243 1.00 0.00 C ATOM 162 NH1 ARG A 37 2.166 -5.158 8.255 1.00 0.00 N ATOM 163 NH2 ARG A 37 0.439 -6.233 9.049 1.00 0.00 N ATOM 0 H ARG A 37 0.359 -6.065 3.196 1.00 0.00 H new ATOM 0 HA ARG A 37 2.435 -7.429 1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.620 -7.742 4.002 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.534 -6.054 3.539 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.211 -5.523 5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.118 -6.856 4.997 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.925 -8.367 6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.642 -6.873 6.691 1.00 0.00 H new ATOM 0 HE ARG A 37 1.177 -8.119 7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.975 -5.073 7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.919 -4.391 8.880 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.184 -7.039 9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.264 -5.421 9.641 1.00 0.00 H new ATOM 177 N PRO A 38 0.062 -8.981 2.821 1.00 0.00 N ATOM 178 CA PRO A 38 -0.450 -10.356 2.929 1.00 0.00 C ATOM 179 C PRO A 38 0.091 -11.352 1.901 1.00 0.00 C ATOM 180 O PRO A 38 0.330 -12.522 2.212 1.00 0.00 O ATOM 181 CB PRO A 38 -1.958 -10.252 2.697 1.00 0.00 C ATOM 182 CG PRO A 38 -2.298 -8.837 3.115 1.00 0.00 C ATOM 183 CD PRO A 38 -1.052 -8.051 2.726 1.00 0.00 C ATOM 0 HA PRO A 38 -0.141 -10.738 3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.214 -10.432 1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.504 -10.985 3.290 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.185 -8.467 2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.499 -8.770 4.184 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.142 -7.654 1.715 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.906 -7.200 3.391 1.00 0.00 H new ATOM 191 N PHE A 39 0.196 -10.877 0.665 1.00 0.00 N ATOM 192 CA PHE A 39 0.427 -11.661 -0.536 1.00 0.00 C ATOM 193 C PHE A 39 1.835 -12.262 -0.641 1.00 0.00 C ATOM 194 O PHE A 39 2.765 -11.805 0.020 1.00 0.00 O ATOM 195 CB PHE A 39 0.207 -10.761 -1.763 1.00 0.00 C ATOM 196 CG PHE A 39 -0.556 -9.473 -1.530 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.154 -8.320 -1.145 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.955 -9.414 -1.692 1.00 0.00 C ATOM 199 CE1 PHE A 39 -0.525 -7.109 -1.014 1.00 0.00 C ATOM 200 CE2 PHE A 39 -2.623 -8.186 -1.567 1.00 0.00 C ATOM 201 CZ PHE A 39 -1.907 -7.028 -1.247 1.00 0.00 C ATOM 0 H PHE A 39 0.117 -9.880 0.467 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.273 -12.495 -0.491 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.182 -10.509 -2.180 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.323 -11.339 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.215 -8.373 -0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.512 -10.313 -1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.020 -6.221 -0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.691 -8.135 -1.718 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.414 -6.077 -1.180 1.00 0.00 H new ATOM 211 N PRO A 40 2.018 -13.250 -1.534 1.00 0.00 N ATOM 212 CA PRO A 40 3.338 -13.686 -1.966 1.00 0.00 C ATOM 213 C PRO A 40 3.864 -12.790 -3.111 1.00 0.00 C ATOM 214 O PRO A 40 3.265 -11.761 -3.435 1.00 0.00 O ATOM 215 CB PRO A 40 3.126 -15.146 -2.396 1.00 0.00 C ATOM 216 CG PRO A 40 1.704 -15.132 -2.953 1.00 0.00 C ATOM 217 CD PRO A 40 0.982 -14.124 -2.065 1.00 0.00 C ATOM 0 HA PRO A 40 4.096 -13.609 -1.187 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.852 -15.456 -3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.225 -15.833 -1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.686 -14.829 -4.000 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.242 -16.118 -2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.246 -13.557 -2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.444 -14.626 -1.261 1.00 0.00 H new ATOM 225 N LEU A 41 4.979 -13.176 -3.747 1.00 0.00 N ATOM 226 CA LEU A 41 5.603 -12.471 -4.887 1.00 0.00 C ATOM 227 C LEU A 41 4.642 -12.206 -6.067 1.00 0.00 C ATOM 228 O LEU A 41 4.926 -11.369 -6.923 1.00 0.00 O ATOM 229 CB LEU A 41 6.819 -13.276 -5.398 1.00 0.00 C ATOM 230 CG LEU A 41 8.105 -13.157 -4.562 1.00 0.00 C ATOM 231 CD1 LEU A 41 8.015 -13.836 -3.195 1.00 0.00 C ATOM 232 CD2 LEU A 41 9.275 -13.798 -5.310 1.00 0.00 C ATOM 0 H LEU A 41 5.492 -14.015 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 41 5.907 -11.496 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.538 -14.328 -5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.040 -12.956 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 41 8.252 -12.089 -4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.958 -13.710 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.209 -13.384 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.813 -14.899 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.182 -13.710 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.059 -14.851 -5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.419 -13.290 -6.264 1.00 0.00 H new ATOM 244 N ASP A 42 3.519 -12.926 -6.127 1.00 0.00 N ATOM 245 CA ASP A 42 2.473 -12.825 -7.141 1.00 0.00 C ATOM 246 C ASP A 42 1.746 -11.462 -7.194 1.00 0.00 C ATOM 247 O ASP A 42 1.201 -11.130 -8.250 1.00 0.00 O ATOM 248 CB ASP A 42 1.456 -13.958 -6.935 1.00 0.00 C ATOM 249 CG ASP A 42 2.078 -15.362 -7.066 1.00 0.00 C ATOM 250 OD1 ASP A 42 2.824 -15.793 -6.154 1.00 0.00 O ATOM 251 OD2 ASP A 42 1.809 -16.050 -8.083 1.00 0.00 O ATOM 0 H ASP A 42 3.306 -13.636 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 42 2.977 -12.916 -8.103 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.005 -13.858 -5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.653 -13.854 -7.664 1.00 0.00 H new ATOM 256 N VAL A 43 1.754 -10.643 -6.132 1.00 0.00 N ATOM 257 CA VAL A 43 1.246 -9.251 -6.196 1.00 0.00 C ATOM 258 C VAL A 43 2.128 -8.381 -7.103 1.00 0.00 C ATOM 259 O VAL A 43 3.355 -8.421 -7.009 1.00 0.00 O ATOM 260 CB VAL A 43 1.079 -8.615 -4.795 1.00 0.00 C ATOM 261 CG1 VAL A 43 2.392 -8.380 -4.033 1.00 0.00 C ATOM 262 CG2 VAL A 43 0.314 -7.282 -4.857 1.00 0.00 C ATOM 0 H VAL A 43 2.106 -10.915 -5.214 1.00 0.00 H new ATOM 0 HA VAL A 43 0.250 -9.299 -6.636 1.00 0.00 H new ATOM 0 HB VAL A 43 0.508 -9.362 -4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.175 -7.932 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.903 -9.332 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.031 -7.710 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.219 -6.870 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.858 -6.579 -5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.678 -7.451 -5.275 1.00 0.00 H new ATOM 272 N GLN A 44 1.505 -7.567 -7.960 1.00 0.00 N ATOM 273 CA GLN A 44 2.173 -6.610 -8.850 1.00 0.00 C ATOM 274 C GLN A 44 1.375 -5.297 -8.881 1.00 0.00 C ATOM 275 O GLN A 44 0.296 -5.184 -8.291 1.00 0.00 O ATOM 276 CB GLN A 44 2.330 -7.132 -10.304 1.00 0.00 C ATOM 277 CG GLN A 44 2.580 -8.626 -10.546 1.00 0.00 C ATOM 278 CD GLN A 44 3.864 -9.171 -9.931 1.00 0.00 C ATOM 279 OE1 GLN A 44 4.933 -8.571 -9.967 1.00 0.00 O ATOM 280 NE2 GLN A 44 3.795 -10.352 -9.359 1.00 0.00 N ATOM 0 H GLN A 44 0.490 -7.555 -8.057 1.00 0.00 H new ATOM 0 HA GLN A 44 3.175 -6.457 -8.448 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.426 -6.859 -10.849 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.154 -6.584 -10.761 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.736 -9.190 -10.148 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.605 -8.806 -11.621 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.907 -10.853 -9.328 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.630 -10.768 -8.946 1.00 0.00 H new ATOM 289 N GLU A 45 1.854 -4.299 -9.626 1.00 0.00 N ATOM 290 CA GLU A 45 1.118 -3.051 -9.825 1.00 0.00 C ATOM 291 C GLU A 45 -0.282 -3.244 -10.439 1.00 0.00 C ATOM 292 O GLU A 45 -1.138 -2.398 -10.220 1.00 0.00 O ATOM 293 CB GLU A 45 1.960 -2.032 -10.610 1.00 0.00 C ATOM 294 CG GLU A 45 2.068 -2.292 -12.117 1.00 0.00 C ATOM 295 CD GLU A 45 2.880 -3.547 -12.512 1.00 0.00 C ATOM 296 OE1 GLU A 45 3.786 -3.968 -11.752 1.00 0.00 O ATOM 297 OE2 GLU A 45 2.622 -4.113 -13.598 1.00 0.00 O ATOM 0 H GLU A 45 2.754 -4.333 -10.104 1.00 0.00 H new ATOM 0 HA GLU A 45 0.935 -2.645 -8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.534 -1.040 -10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.965 -2.014 -10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.062 -2.386 -12.526 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.524 -1.421 -12.588 1.00 0.00 H new ATOM 304 N SER A 46 -0.560 -4.345 -11.141 1.00 0.00 N ATOM 305 CA SER A 46 -1.904 -4.722 -11.623 1.00 0.00 C ATOM 306 C SER A 46 -2.882 -5.113 -10.499 1.00 0.00 C ATOM 307 O SER A 46 -4.085 -4.845 -10.574 1.00 0.00 O ATOM 308 CB SER A 46 -1.808 -5.877 -12.638 1.00 0.00 C ATOM 309 OG SER A 46 -0.689 -6.730 -12.425 1.00 0.00 O ATOM 0 H SER A 46 0.158 -5.021 -11.400 1.00 0.00 H new ATOM 0 HA SER A 46 -2.307 -3.828 -12.098 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.721 -6.470 -12.589 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.752 -5.462 -13.644 1.00 0.00 H new ATOM 0 HG SER A 46 -0.856 -7.301 -11.646 1.00 0.00 H new ATOM 315 N GLU A 47 -2.385 -5.702 -9.409 1.00 0.00 N ATOM 316 CA GLU A 47 -3.160 -6.201 -8.287 1.00 0.00 C ATOM 317 C GLU A 47 -3.399 -5.038 -7.331 1.00 0.00 C ATOM 318 O GLU A 47 -4.503 -4.829 -6.814 1.00 0.00 O ATOM 319 CB GLU A 47 -2.320 -7.296 -7.626 1.00 0.00 C ATOM 320 CG GLU A 47 -2.426 -8.656 -8.330 1.00 0.00 C ATOM 321 CD GLU A 47 -1.993 -8.649 -9.809 1.00 0.00 C ATOM 322 OE1 GLU A 47 -0.884 -8.157 -10.128 1.00 0.00 O ATOM 323 OE2 GLU A 47 -2.766 -9.137 -10.669 1.00 0.00 O ATOM 0 H GLU A 47 -1.383 -5.847 -9.286 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.126 -6.609 -8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.276 -6.983 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.634 -7.407 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.815 -9.379 -7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.458 -9.002 -8.269 1.00 0.00 H new ATOM 330 N LEU A 48 -2.364 -4.203 -7.192 1.00 0.00 N ATOM 331 CA LEU A 48 -2.521 -2.918 -6.568 1.00 0.00 C ATOM 332 C LEU A 48 -3.490 -2.073 -7.407 1.00 0.00 C ATOM 333 O LEU A 48 -4.352 -1.428 -6.848 1.00 0.00 O ATOM 334 CB LEU A 48 -1.153 -2.260 -6.445 1.00 0.00 C ATOM 335 CG LEU A 48 -0.070 -3.024 -5.673 1.00 0.00 C ATOM 336 CD1 LEU A 48 1.203 -2.213 -5.802 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.329 -3.156 -4.191 1.00 0.00 C ATOM 0 H LEU A 48 -1.416 -4.408 -7.508 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.940 -3.016 -5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.779 -2.070 -7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.287 -1.290 -5.966 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.030 -4.030 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.010 -2.715 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.469 -2.118 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.048 -1.222 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.487 -3.710 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.395 -2.164 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.266 -3.690 -4.032 1.00 0.00 H new ATOM 349 N ASN A 49 -3.458 -2.114 -8.737 1.00 0.00 N ATOM 350 CA ASN A 49 -4.470 -1.402 -9.551 1.00 0.00 C ATOM 351 C ASN A 49 -5.900 -1.887 -9.252 1.00 0.00 C ATOM 352 O ASN A 49 -6.813 -1.068 -9.153 1.00 0.00 O ATOM 353 CB ASN A 49 -4.170 -1.469 -11.059 1.00 0.00 C ATOM 354 CG ASN A 49 -3.489 -0.215 -11.580 1.00 0.00 C ATOM 355 OD1 ASN A 49 -4.118 0.691 -12.108 1.00 0.00 O ATOM 356 ND2 ASN A 49 -2.187 -0.127 -11.459 1.00 0.00 N ATOM 0 H ASN A 49 -2.758 -2.622 -9.278 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.407 -0.354 -9.256 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.535 -2.332 -11.261 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.101 -1.624 -11.604 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.697 0.698 -11.805 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.663 -0.883 -11.018 1.00 0.00 H new ATOM 363 N GLU A 50 -6.104 -3.189 -9.028 1.00 0.00 N ATOM 364 CA GLU A 50 -7.370 -3.748 -8.575 1.00 0.00 C ATOM 365 C GLU A 50 -7.849 -3.191 -7.216 1.00 0.00 C ATOM 366 O GLU A 50 -9.029 -2.871 -7.056 1.00 0.00 O ATOM 367 CB GLU A 50 -7.197 -5.276 -8.515 1.00 0.00 C ATOM 368 CG GLU A 50 -8.484 -5.932 -8.981 1.00 0.00 C ATOM 369 CD GLU A 50 -8.519 -7.441 -8.680 1.00 0.00 C ATOM 370 OE1 GLU A 50 -8.762 -7.823 -7.507 1.00 0.00 O ATOM 371 OE2 GLU A 50 -8.326 -8.261 -9.612 1.00 0.00 O ATOM 0 H GLU A 50 -5.377 -3.892 -9.161 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.150 -3.460 -9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.365 -5.587 -9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.960 -5.589 -7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.331 -5.448 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.600 -5.776 -10.054 1.00 0.00 H new ATOM 378 N ILE A 51 -6.938 -3.050 -6.244 1.00 0.00 N ATOM 379 CA ILE A 51 -7.240 -2.582 -4.865 1.00 0.00 C ATOM 380 C ILE A 51 -7.297 -1.046 -4.725 1.00 0.00 C ATOM 381 O ILE A 51 -8.183 -0.520 -4.054 1.00 0.00 O ATOM 382 CB ILE A 51 -6.151 -3.143 -3.931 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.297 -4.673 -3.754 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.111 -2.429 -2.553 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.053 -5.345 -3.155 1.00 0.00 C ATOM 0 H ILE A 51 -5.950 -3.259 -6.386 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.235 -2.942 -4.603 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.197 -2.940 -4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.154 -4.876 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.512 -5.123 -4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.324 -2.867 -1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.909 -1.368 -2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.072 -2.550 -2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.228 -6.417 -3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.197 -5.174 -3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.849 -4.922 -2.171 1.00 0.00 H new ATOM 397 N PHE A 52 -6.327 -0.341 -5.313 1.00 0.00 N ATOM 398 CA PHE A 52 -6.027 1.088 -5.153 1.00 0.00 C ATOM 399 C PHE A 52 -6.687 1.971 -6.222 1.00 0.00 C ATOM 400 O PHE A 52 -6.977 3.143 -5.983 1.00 0.00 O ATOM 401 CB PHE A 52 -4.534 1.334 -5.245 1.00 0.00 C ATOM 402 CG PHE A 52 -3.742 0.826 -4.069 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.487 -0.546 -3.917 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.236 1.732 -3.130 1.00 0.00 C ATOM 405 CE1 PHE A 52 -2.663 -1.016 -2.899 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.366 1.265 -2.143 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.042 -0.095 -2.049 1.00 0.00 C ATOM 0 H PHE A 52 -5.680 -0.787 -5.964 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.424 1.355 -4.173 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.156 0.862 -6.152 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.361 2.405 -5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.938 -1.249 -4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.514 2.775 -3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.505 -2.076 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.936 1.963 -1.440 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.316 -0.431 -1.323 1.00 0.00 H new ATOM 417 N GLY A 53 -6.949 1.407 -7.406 1.00 0.00 N ATOM 418 CA GLY A 53 -7.691 2.048 -8.494 1.00 0.00 C ATOM 419 C GLY A 53 -8.993 2.767 -8.085 1.00 0.00 C ATOM 420 O GLY A 53 -9.251 3.841 -8.637 1.00 0.00 O ATOM 0 H GLY A 53 -6.641 0.463 -7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.035 2.771 -8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.935 1.290 -9.238 1.00 0.00 H new ATOM 424 N PRO A 54 -9.800 2.269 -7.117 1.00 0.00 N ATOM 425 CA PRO A 54 -10.977 2.987 -6.620 1.00 0.00 C ATOM 426 C PRO A 54 -10.674 4.357 -5.973 1.00 0.00 C ATOM 427 O PRO A 54 -11.559 5.214 -5.925 1.00 0.00 O ATOM 428 CB PRO A 54 -11.634 2.047 -5.596 1.00 0.00 C ATOM 429 CG PRO A 54 -11.100 0.664 -5.958 1.00 0.00 C ATOM 430 CD PRO A 54 -9.683 1.006 -6.400 1.00 0.00 C ATOM 0 HA PRO A 54 -11.624 3.230 -7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.368 2.322 -4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.721 2.084 -5.663 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.113 -0.019 -5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.678 0.194 -6.754 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.015 1.100 -5.544 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.272 0.226 -7.041 1.00 0.00 H new ATOM 438 N PHE A 55 -9.449 4.585 -5.479 1.00 0.00 N ATOM 439 CA PHE A 55 -9.062 5.824 -4.777 1.00 0.00 C ATOM 440 C PHE A 55 -8.807 6.961 -5.757 1.00 0.00 C ATOM 441 O PHE A 55 -9.116 8.121 -5.483 1.00 0.00 O ATOM 442 CB PHE A 55 -7.766 5.632 -3.964 1.00 0.00 C ATOM 443 CG PHE A 55 -7.642 4.366 -3.147 1.00 0.00 C ATOM 444 CD1 PHE A 55 -8.794 3.667 -2.750 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.366 3.848 -2.846 1.00 0.00 C ATOM 446 CE1 PHE A 55 -8.689 2.431 -2.109 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.270 2.675 -2.070 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.430 1.952 -1.746 1.00 0.00 C ATOM 0 H PHE A 55 -8.689 3.909 -5.555 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.894 6.067 -4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.925 5.671 -4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.663 6.481 -3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.769 4.089 -2.942 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.475 4.342 -3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.575 1.851 -1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.306 2.333 -1.725 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.346 1.017 -1.211 1.00 0.00 H new ATOM 458 N GLY A 56 -8.207 6.603 -6.895 1.00 0.00 N ATOM 459 CA GLY A 56 -7.750 7.514 -7.923 1.00 0.00 C ATOM 460 C GLY A 56 -6.219 7.564 -7.992 1.00 0.00 C ATOM 461 O GLY A 56 -5.639 6.882 -8.844 1.00 0.00 O ATOM 0 H GLY A 56 -8.023 5.627 -7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.148 7.203 -8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.139 8.513 -7.724 1.00 0.00 H new ATOM 465 N PRO A 57 -5.546 8.325 -7.104 1.00 0.00 N ATOM 466 CA PRO A 57 -4.091 8.302 -6.968 1.00 0.00 C ATOM 467 C PRO A 57 -3.525 6.913 -6.616 1.00 0.00 C ATOM 468 O PRO A 57 -4.208 6.059 -6.046 1.00 0.00 O ATOM 469 CB PRO A 57 -3.745 9.336 -5.881 1.00 0.00 C ATOM 470 CG PRO A 57 -4.967 10.250 -5.854 1.00 0.00 C ATOM 471 CD PRO A 57 -6.111 9.291 -6.171 1.00 0.00 C ATOM 0 HA PRO A 57 -3.632 8.546 -7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.578 8.861 -4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.837 9.887 -6.126 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.095 10.726 -4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.892 11.048 -6.592 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.477 8.801 -5.269 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.957 9.818 -6.613 1.00 0.00 H new ATOM 479 N MET A 58 -2.242 6.738 -6.941 1.00 0.00 N ATOM 480 CA MET A 58 -1.336 5.590 -6.714 1.00 0.00 C ATOM 481 C MET A 58 -0.019 5.885 -7.433 1.00 0.00 C ATOM 482 O MET A 58 0.391 5.259 -8.414 1.00 0.00 O ATOM 483 CB MET A 58 -1.938 4.225 -7.042 1.00 0.00 C ATOM 484 CG MET A 58 -2.674 4.116 -8.382 1.00 0.00 C ATOM 485 SD MET A 58 -3.497 2.522 -8.673 1.00 0.00 S ATOM 486 CE MET A 58 -2.308 1.395 -7.903 1.00 0.00 C ATOM 0 H MET A 58 -1.746 7.484 -7.429 1.00 0.00 H new ATOM 0 HA MET A 58 -1.151 5.494 -5.644 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.138 3.485 -7.029 1.00 0.00 H new ATOM 0 HB3 MET A 58 -2.633 3.957 -6.246 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.420 4.909 -8.436 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.961 4.293 -9.187 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.621 0.365 -8.073 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.322 1.552 -8.340 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.264 1.589 -6.831 1.00 0.00 H new ATOM 496 N LYS A 59 0.561 6.982 -6.957 1.00 0.00 N ATOM 497 CA LYS A 59 1.689 7.725 -7.512 1.00 0.00 C ATOM 498 C LYS A 59 3.019 6.974 -7.472 1.00 0.00 C ATOM 499 O LYS A 59 3.847 7.179 -8.354 1.00 0.00 O ATOM 500 CB LYS A 59 1.669 9.081 -6.797 1.00 0.00 C ATOM 501 CG LYS A 59 2.961 9.880 -6.695 1.00 0.00 C ATOM 502 CD LYS A 59 3.900 9.296 -5.628 1.00 0.00 C ATOM 503 CE LYS A 59 4.330 10.365 -4.626 1.00 0.00 C ATOM 504 NZ LYS A 59 5.788 10.640 -4.661 1.00 0.00 N ATOM 0 H LYS A 59 0.224 7.413 -6.096 1.00 0.00 H new ATOM 0 HA LYS A 59 1.584 7.868 -8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.933 9.708 -7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.305 8.913 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.465 9.885 -7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.731 10.917 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.398 8.483 -5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.780 8.869 -6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.787 11.287 -4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.050 10.047 -3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.010 11.420 -4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.309 9.788 -4.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.068 10.906 -5.627 1.00 0.00 H new ATOM 518 N GLU A 60 3.215 6.083 -6.499 1.00 0.00 N ATOM 519 CA GLU A 60 4.356 5.165 -6.482 1.00 0.00 C ATOM 520 C GLU A 60 3.990 3.824 -5.883 1.00 0.00 C ATOM 521 O GLU A 60 2.972 3.666 -5.214 1.00 0.00 O ATOM 522 CB GLU A 60 5.606 5.805 -5.841 1.00 0.00 C ATOM 523 CG GLU A 60 6.737 6.061 -6.841 1.00 0.00 C ATOM 524 CD GLU A 60 7.610 4.823 -7.072 1.00 0.00 C ATOM 525 OE1 GLU A 60 7.098 3.814 -7.604 1.00 0.00 O ATOM 526 OE2 GLU A 60 8.805 4.820 -6.690 1.00 0.00 O ATOM 0 H GLU A 60 2.588 5.977 -5.701 1.00 0.00 H new ATOM 0 HA GLU A 60 4.630 4.964 -7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.323 6.748 -5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.973 5.154 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.311 6.383 -7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.360 6.878 -6.478 1.00 0.00 H new ATOM 533 N VAL A 61 4.821 2.849 -6.213 1.00 0.00 N ATOM 534 CA VAL A 61 4.601 1.421 -6.036 1.00 0.00 C ATOM 535 C VAL A 61 5.971 0.765 -5.911 1.00 0.00 C ATOM 536 O VAL A 61 6.785 0.782 -6.833 1.00 0.00 O ATOM 537 CB VAL A 61 3.853 0.881 -7.279 1.00 0.00 C ATOM 538 CG1 VAL A 61 3.874 -0.635 -7.320 1.00 0.00 C ATOM 539 CG2 VAL A 61 2.377 1.280 -7.420 1.00 0.00 C ATOM 0 H VAL A 61 5.726 3.046 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 61 4.004 1.209 -5.149 1.00 0.00 H new ATOM 0 HB VAL A 61 4.406 1.347 -8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.340 -0.982 -8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.906 -0.984 -7.358 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.391 -1.030 -6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.966 0.840 -8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.818 0.918 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.297 2.366 -7.474 1.00 0.00 H new ATOM 549 N LYS A 62 6.245 0.197 -4.744 1.00 0.00 N ATOM 550 CA LYS A 62 7.523 -0.428 -4.393 1.00 0.00 C ATOM 551 C LYS A 62 7.194 -1.864 -4.018 1.00 0.00 C ATOM 552 O LYS A 62 6.524 -2.073 -3.020 1.00 0.00 O ATOM 553 CB LYS A 62 8.149 0.371 -3.233 1.00 0.00 C ATOM 554 CG LYS A 62 8.260 1.896 -3.471 1.00 0.00 C ATOM 555 CD LYS A 62 9.639 2.363 -3.967 1.00 0.00 C ATOM 556 CE LYS A 62 10.131 1.709 -5.272 1.00 0.00 C ATOM 557 NZ LYS A 62 9.321 2.085 -6.460 1.00 0.00 N ATOM 0 H LYS A 62 5.563 0.155 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 62 8.251 -0.428 -5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.556 0.201 -2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.146 -0.024 -3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.506 2.194 -4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.027 2.414 -2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.607 3.443 -4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.372 2.168 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.169 1.994 -5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.113 0.625 -5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.733 1.654 -7.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.346 1.745 -6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.316 3.120 -6.564 1.00 0.00 H new ATOM 571 N ILE A 63 7.571 -2.839 -4.843 1.00 0.00 N ATOM 572 CA ILE A 63 7.107 -4.234 -4.717 1.00 0.00 C ATOM 573 C ILE A 63 8.293 -5.191 -4.568 1.00 0.00 C ATOM 574 O ILE A 63 9.230 -5.211 -5.368 1.00 0.00 O ATOM 575 CB ILE A 63 6.148 -4.643 -5.868 1.00 0.00 C ATOM 576 CG1 ILE A 63 4.946 -3.672 -5.913 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.645 -6.084 -5.657 1.00 0.00 C ATOM 578 CD1 ILE A 63 3.873 -4.015 -6.959 1.00 0.00 C ATOM 0 H ILE A 63 8.210 -2.691 -5.624 1.00 0.00 H new ATOM 0 HA ILE A 63 6.516 -4.305 -3.804 1.00 0.00 H new ATOM 0 HB ILE A 63 6.689 -4.594 -6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.479 -3.650 -4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.317 -2.667 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.974 -6.358 -6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.494 -6.767 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.111 -6.148 -4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.072 -3.277 -6.914 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.319 -4.006 -7.954 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.467 -5.005 -6.752 1.00 0.00 H new ATOM 590 N LEU A 64 8.228 -5.955 -3.479 1.00 0.00 N ATOM 591 CA LEU A 64 9.240 -6.836 -2.907 1.00 0.00 C ATOM 592 C LEU A 64 8.617 -8.233 -2.672 1.00 0.00 C ATOM 593 O LEU A 64 7.443 -8.445 -2.972 1.00 0.00 O ATOM 594 CB LEU A 64 9.721 -6.223 -1.572 1.00 0.00 C ATOM 595 CG LEU A 64 10.426 -4.848 -1.568 1.00 0.00 C ATOM 596 CD1 LEU A 64 9.625 -3.646 -2.084 1.00 0.00 C ATOM 597 CD2 LEU A 64 10.922 -4.578 -0.151 1.00 0.00 C ATOM 0 H LEU A 64 7.376 -5.972 -2.919 1.00 0.00 H new ATOM 0 HA LEU A 64 10.090 -6.942 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.852 -6.145 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.402 -6.939 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 64 11.232 -4.935 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.239 -2.747 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.335 -3.820 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.731 -3.515 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.425 -3.611 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.075 -4.569 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.621 -5.360 0.145 1.00 0.00 H new ATOM 609 N ASN A 65 9.400 -9.152 -2.087 1.00 0.00 N ATOM 610 CA ASN A 65 9.203 -10.596 -1.799 1.00 0.00 C ATOM 611 C ASN A 65 7.913 -11.044 -1.052 1.00 0.00 C ATOM 612 O ASN A 65 7.953 -11.896 -0.160 1.00 0.00 O ATOM 613 CB ASN A 65 10.425 -11.038 -0.982 1.00 0.00 C ATOM 614 CG ASN A 65 11.761 -10.727 -1.633 1.00 0.00 C ATOM 615 OD1 ASN A 65 12.056 -11.158 -2.743 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.598 -9.943 -0.995 1.00 0.00 N ATOM 0 H ASN A 65 10.320 -8.865 -1.755 1.00 0.00 H new ATOM 0 HA ASN A 65 9.084 -11.068 -2.774 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.389 -10.554 -0.006 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.361 -12.112 -0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.490 -9.694 -1.422 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.356 -9.583 -0.072 1.00 0.00 H new ATOM 623 N GLY A 66 6.773 -10.447 -1.358 1.00 0.00 N ATOM 624 CA GLY A 66 5.508 -10.556 -0.647 1.00 0.00 C ATOM 625 C GLY A 66 4.986 -9.209 -0.129 1.00 0.00 C ATOM 626 O GLY A 66 4.032 -9.174 0.640 1.00 0.00 O ATOM 0 H GLY A 66 6.701 -9.830 -2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.763 -10.996 -1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.629 -11.239 0.194 1.00 0.00 H new ATOM 630 N PHE A 67 5.613 -8.092 -0.528 1.00 0.00 N ATOM 631 CA PHE A 67 5.328 -6.774 0.059 1.00 0.00 C ATOM 632 C PHE A 67 5.156 -5.703 -1.013 1.00 0.00 C ATOM 633 O PHE A 67 5.828 -5.724 -2.044 1.00 0.00 O ATOM 634 CB PHE A 67 6.430 -6.362 1.060 1.00 0.00 C ATOM 635 CG PHE A 67 6.943 -7.452 1.985 1.00 0.00 C ATOM 636 CD1 PHE A 67 7.900 -8.382 1.536 1.00 0.00 C ATOM 637 CD2 PHE A 67 6.476 -7.536 3.315 1.00 0.00 C ATOM 638 CE1 PHE A 67 8.344 -9.415 2.379 1.00 0.00 C ATOM 639 CE2 PHE A 67 6.925 -8.565 4.163 1.00 0.00 C ATOM 640 CZ PHE A 67 7.852 -9.511 3.690 1.00 0.00 C ATOM 0 H PHE A 67 6.324 -8.076 -1.259 1.00 0.00 H new ATOM 0 HA PHE A 67 4.385 -6.860 0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.275 -5.968 0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.047 -5.546 1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.296 -8.301 0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.770 -6.806 3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.064 -10.135 2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.558 -8.628 5.177 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.185 -10.311 4.335 1.00 0.00 H new ATOM 650 N ALA A 68 4.294 -4.734 -0.748 1.00 0.00 N ATOM 651 CA ALA A 68 4.039 -3.534 -1.525 1.00 0.00 C ATOM 652 C ALA A 68 4.043 -2.337 -0.579 1.00 0.00 C ATOM 653 O ALA A 68 3.413 -2.357 0.480 1.00 0.00 O ATOM 654 CB ALA A 68 2.720 -3.678 -2.284 1.00 0.00 C ATOM 0 H ALA A 68 3.707 -4.771 0.085 1.00 0.00 H new ATOM 0 HA ALA A 68 4.817 -3.380 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.534 -2.775 -2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.778 -4.535 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.906 -3.827 -1.574 1.00 0.00 H new ATOM 660 N PHE A 69 4.745 -1.288 -0.989 1.00 0.00 N ATOM 661 CA PHE A 69 4.742 0.017 -0.349 1.00 0.00 C ATOM 662 C PHE A 69 4.340 1.013 -1.421 1.00 0.00 C ATOM 663 O PHE A 69 5.130 1.424 -2.279 1.00 0.00 O ATOM 664 CB PHE A 69 6.060 0.389 0.356 1.00 0.00 C ATOM 665 CG PHE A 69 6.767 -0.754 1.045 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.394 -1.726 0.260 1.00 0.00 C ATOM 667 CD2 PHE A 69 6.806 -0.863 2.450 1.00 0.00 C ATOM 668 CE1 PHE A 69 7.981 -2.844 0.846 1.00 0.00 C ATOM 669 CE2 PHE A 69 7.466 -1.963 3.046 1.00 0.00 C ATOM 670 CZ PHE A 69 8.055 -2.958 2.234 1.00 0.00 C ATOM 0 H PHE A 69 5.354 -1.326 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 69 4.031 0.017 0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.737 0.823 -0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.852 1.164 1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.423 -1.608 -0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.335 -0.112 3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.382 -3.629 0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.520 -2.042 4.122 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.559 -3.800 2.685 1.00 0.00 H new ATOM 680 N VAL A 70 3.043 1.276 -1.456 1.00 0.00 N ATOM 681 CA VAL A 70 2.429 2.187 -2.414 1.00 0.00 C ATOM 682 C VAL A 70 2.510 3.594 -1.844 1.00 0.00 C ATOM 683 O VAL A 70 2.759 3.771 -0.646 1.00 0.00 O ATOM 684 CB VAL A 70 1.022 1.686 -2.806 1.00 0.00 C ATOM 685 CG1 VAL A 70 0.479 2.128 -4.158 1.00 0.00 C ATOM 686 CG2 VAL A 70 1.065 0.191 -3.078 1.00 0.00 C ATOM 0 H VAL A 70 2.375 0.856 -0.810 1.00 0.00 H new ATOM 0 HA VAL A 70 2.962 2.216 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 70 0.426 2.063 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.515 1.706 -4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.420 3.216 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.143 1.779 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.070 -0.157 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.759 -0.011 -3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.397 -0.333 -2.181 1.00 0.00 H new ATOM 696 N GLU A 71 2.341 4.611 -2.667 1.00 0.00 N ATOM 697 CA GLU A 71 2.645 5.987 -2.283 1.00 0.00 C ATOM 698 C GLU A 71 1.766 6.961 -3.055 1.00 0.00 C ATOM 699 O GLU A 71 1.415 6.718 -4.215 1.00 0.00 O ATOM 700 CB GLU A 71 4.113 6.230 -2.645 1.00 0.00 C ATOM 701 CG GLU A 71 4.733 7.510 -2.096 1.00 0.00 C ATOM 702 CD GLU A 71 6.228 7.578 -2.446 1.00 0.00 C ATOM 703 OE1 GLU A 71 7.021 6.832 -1.826 1.00 0.00 O ATOM 704 OE2 GLU A 71 6.613 8.387 -3.321 1.00 0.00 O ATOM 0 H GLU A 71 1.990 4.513 -3.620 1.00 0.00 H new ATOM 0 HA GLU A 71 2.462 6.139 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.700 5.383 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.201 6.244 -3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.217 8.377 -2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.605 7.548 -1.014 1.00 0.00 H new ATOM 711 N PHE A 72 1.484 8.100 -2.430 1.00 0.00 N ATOM 712 CA PHE A 72 0.661 9.158 -3.001 1.00 0.00 C ATOM 713 C PHE A 72 1.320 10.546 -2.992 1.00 0.00 C ATOM 714 O PHE A 72 2.237 10.827 -2.223 1.00 0.00 O ATOM 715 CB PHE A 72 -0.683 9.198 -2.271 1.00 0.00 C ATOM 716 CG PHE A 72 -1.480 7.908 -2.219 1.00 0.00 C ATOM 717 CD1 PHE A 72 -1.759 7.158 -3.378 1.00 0.00 C ATOM 718 CD2 PHE A 72 -2.033 7.509 -0.990 1.00 0.00 C ATOM 719 CE1 PHE A 72 -2.563 6.006 -3.295 1.00 0.00 C ATOM 720 CE2 PHE A 72 -2.894 6.404 -0.930 1.00 0.00 C ATOM 721 CZ PHE A 72 -3.151 5.645 -2.073 1.00 0.00 C ATOM 0 H PHE A 72 1.828 8.316 -1.495 1.00 0.00 H new ATOM 0 HA PHE A 72 0.522 8.913 -4.054 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.502 9.525 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.303 9.960 -2.744 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.356 7.467 -4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.794 8.055 -0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.728 5.399 -4.173 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.361 6.138 0.007 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.800 4.783 -2.017 1.00 0.00 H new ATOM 731 N GLU A 73 0.800 11.436 -3.834 1.00 0.00 N ATOM 732 CA GLU A 73 1.079 12.885 -3.839 1.00 0.00 C ATOM 733 C GLU A 73 -0.036 13.672 -3.101 1.00 0.00 C ATOM 734 O GLU A 73 -0.108 14.899 -3.167 1.00 0.00 O ATOM 735 CB GLU A 73 1.283 13.375 -5.281 1.00 0.00 C ATOM 736 CG GLU A 73 0.070 13.143 -6.199 1.00 0.00 C ATOM 737 CD GLU A 73 0.420 13.425 -7.670 1.00 0.00 C ATOM 738 OE1 GLU A 73 0.290 14.590 -8.123 1.00 0.00 O ATOM 739 OE2 GLU A 73 0.820 12.481 -8.395 1.00 0.00 O ATOM 0 H GLU A 73 0.144 11.164 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 73 2.003 13.071 -3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.513 14.440 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.150 12.869 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.275 12.114 -6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.752 13.788 -5.889 1.00 0.00 H new ATOM 746 N GLU A 74 -0.927 12.946 -2.419 1.00 0.00 N ATOM 747 CA GLU A 74 -2.179 13.415 -1.823 1.00 0.00 C ATOM 748 C GLU A 74 -2.402 12.695 -0.478 1.00 0.00 C ATOM 749 O GLU A 74 -2.722 11.506 -0.451 1.00 0.00 O ATOM 750 CB GLU A 74 -3.322 13.120 -2.824 1.00 0.00 C ATOM 751 CG GLU A 74 -4.682 13.681 -2.378 1.00 0.00 C ATOM 752 CD GLU A 74 -5.830 13.214 -3.299 1.00 0.00 C ATOM 753 OE1 GLU A 74 -5.904 13.677 -4.462 1.00 0.00 O ATOM 754 OE2 GLU A 74 -6.676 12.401 -2.852 1.00 0.00 O ATOM 0 H GLU A 74 -0.782 11.949 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.149 14.486 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.063 13.543 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.408 12.042 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.887 13.365 -1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.641 14.770 -2.373 1.00 0.00 H new ATOM 761 N ALA A 75 -2.251 13.404 0.644 1.00 0.00 N ATOM 762 CA ALA A 75 -2.537 12.854 1.976 1.00 0.00 C ATOM 763 C ALA A 75 -4.008 12.418 2.137 1.00 0.00 C ATOM 764 O ALA A 75 -4.310 11.489 2.886 1.00 0.00 O ATOM 765 CB ALA A 75 -2.139 13.887 3.036 1.00 0.00 C ATOM 0 H ALA A 75 -1.929 14.372 0.657 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.946 11.948 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.347 13.488 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.075 14.106 2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.711 14.802 2.885 1.00 0.00 H new ATOM 771 N GLU A 76 -4.929 13.032 1.390 1.00 0.00 N ATOM 772 CA GLU A 76 -6.334 12.609 1.331 1.00 0.00 C ATOM 773 C GLU A 76 -6.523 11.276 0.584 1.00 0.00 C ATOM 774 O GLU A 76 -7.521 10.582 0.794 1.00 0.00 O ATOM 775 CB GLU A 76 -7.211 13.710 0.710 1.00 0.00 C ATOM 776 CG GLU A 76 -7.002 15.103 1.331 1.00 0.00 C ATOM 777 CD GLU A 76 -7.089 15.116 2.870 1.00 0.00 C ATOM 778 OE1 GLU A 76 -8.127 14.689 3.429 1.00 0.00 O ATOM 779 OE2 GLU A 76 -6.123 15.571 3.530 1.00 0.00 O ATOM 0 H GLU A 76 -4.722 13.841 0.805 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.654 12.442 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.004 13.765 -0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.259 13.429 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.026 15.483 1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.750 15.786 0.928 1.00 0.00 H new ATOM 786 N SER A 77 -5.578 10.875 -0.280 1.00 0.00 N ATOM 787 CA SER A 77 -5.565 9.522 -0.848 1.00 0.00 C ATOM 788 C SER A 77 -5.156 8.514 0.201 1.00 0.00 C ATOM 789 O SER A 77 -5.796 7.479 0.310 1.00 0.00 O ATOM 790 CB SER A 77 -4.672 9.373 -2.071 1.00 0.00 C ATOM 791 OG SER A 77 -4.956 8.150 -2.719 1.00 0.00 O ATOM 0 H SER A 77 -4.814 11.470 -0.599 1.00 0.00 H new ATOM 0 HA SER A 77 -6.585 9.333 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.834 10.205 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.624 9.404 -1.774 1.00 0.00 H new ATOM 0 HG SER A 77 -4.299 7.476 -2.448 1.00 0.00 H new ATOM 797 N ALA A 78 -4.172 8.825 1.049 1.00 0.00 N ATOM 798 CA ALA A 78 -3.874 7.983 2.207 1.00 0.00 C ATOM 799 C ALA A 78 -5.076 7.886 3.149 1.00 0.00 C ATOM 800 O ALA A 78 -5.474 6.773 3.474 1.00 0.00 O ATOM 801 CB ALA A 78 -2.587 8.456 2.872 1.00 0.00 C ATOM 0 H ALA A 78 -3.574 9.646 0.956 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.694 6.958 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.370 7.825 3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.765 8.392 2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.705 9.489 3.199 1.00 0.00 H new ATOM 807 N ALA A 79 -5.732 9.002 3.496 1.00 0.00 N ATOM 808 CA ALA A 79 -6.954 9.015 4.301 1.00 0.00 C ATOM 809 C ALA A 79 -8.041 8.072 3.760 1.00 0.00 C ATOM 810 O ALA A 79 -8.525 7.184 4.476 1.00 0.00 O ATOM 811 CB ALA A 79 -7.464 10.457 4.400 1.00 0.00 C ATOM 0 H ALA A 79 -5.421 9.933 3.219 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.711 8.637 5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.375 10.480 4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.704 11.080 4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.676 10.837 3.401 1.00 0.00 H new ATOM 817 N LYS A 80 -8.397 8.211 2.471 1.00 0.00 N ATOM 818 CA LYS A 80 -9.401 7.316 1.888 1.00 0.00 C ATOM 819 C LYS A 80 -8.898 5.892 1.719 1.00 0.00 C ATOM 820 O LYS A 80 -9.649 4.975 2.001 1.00 0.00 O ATOM 821 CB LYS A 80 -9.987 7.869 0.584 1.00 0.00 C ATOM 822 CG LYS A 80 -9.072 7.746 -0.633 1.00 0.00 C ATOM 823 CD LYS A 80 -9.706 8.417 -1.871 1.00 0.00 C ATOM 824 CE LYS A 80 -8.774 9.407 -2.584 1.00 0.00 C ATOM 825 NZ LYS A 80 -8.693 10.712 -1.874 1.00 0.00 N ATOM 0 H LYS A 80 -8.017 8.911 1.834 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.214 7.272 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.921 7.349 0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.234 8.921 0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.109 8.209 -0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.880 6.694 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.008 7.644 -2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.612 8.941 -1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.777 8.974 -2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.129 9.570 -3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.966 11.306 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.613 11.193 -1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.443 10.550 -0.877 1.00 0.00 H new ATOM 839 N ALA A 81 -7.640 5.692 1.336 1.00 0.00 N ATOM 840 CA ALA A 81 -7.034 4.368 1.212 1.00 0.00 C ATOM 841 C ALA A 81 -7.151 3.626 2.557 1.00 0.00 C ATOM 842 O ALA A 81 -7.590 2.477 2.610 1.00 0.00 O ATOM 843 CB ALA A 81 -5.581 4.490 0.741 1.00 0.00 C ATOM 0 H ALA A 81 -7.004 6.454 1.100 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.564 3.785 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.142 3.496 0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.553 4.986 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.012 5.075 1.464 1.00 0.00 H new ATOM 849 N ILE A 82 -6.850 4.310 3.673 1.00 0.00 N ATOM 850 CA ILE A 82 -7.046 3.793 5.040 1.00 0.00 C ATOM 851 C ILE A 82 -8.500 3.361 5.230 1.00 0.00 C ATOM 852 O ILE A 82 -8.780 2.188 5.489 1.00 0.00 O ATOM 853 CB ILE A 82 -6.628 4.817 6.123 1.00 0.00 C ATOM 854 CG1 ILE A 82 -5.119 5.145 6.112 1.00 0.00 C ATOM 855 CG2 ILE A 82 -6.989 4.353 7.546 1.00 0.00 C ATOM 856 CD1 ILE A 82 -4.866 6.588 6.537 1.00 0.00 C ATOM 0 H ILE A 82 -6.458 5.251 3.652 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.395 2.927 5.162 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.192 5.713 5.863 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.592 4.467 6.784 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.716 4.981 5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.674 5.108 8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.067 4.209 7.619 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.482 3.412 7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.795 6.790 6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.374 7.264 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.248 6.742 7.546 1.00 0.00 H new ATOM 868 N GLU A 83 -9.443 4.283 5.042 1.00 0.00 N ATOM 869 CA GLU A 83 -10.866 3.978 5.244 1.00 0.00 C ATOM 870 C GLU A 83 -11.416 2.911 4.264 1.00 0.00 C ATOM 871 O GLU A 83 -12.357 2.192 4.597 1.00 0.00 O ATOM 872 CB GLU A 83 -11.674 5.280 5.204 1.00 0.00 C ATOM 873 CG GLU A 83 -11.325 6.236 6.360 1.00 0.00 C ATOM 874 CD GLU A 83 -11.664 5.651 7.741 1.00 0.00 C ATOM 875 OE1 GLU A 83 -12.847 5.714 8.164 1.00 0.00 O ATOM 876 OE2 GLU A 83 -10.753 5.136 8.434 1.00 0.00 O ATOM 0 H GLU A 83 -9.253 5.242 4.752 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.973 3.522 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.494 5.785 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.737 5.043 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.262 6.472 6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.864 7.174 6.225 1.00 0.00 H new ATOM 883 N GLU A 84 -10.787 2.725 3.093 1.00 0.00 N ATOM 884 CA GLU A 84 -11.182 1.783 2.035 1.00 0.00 C ATOM 885 C GLU A 84 -10.665 0.360 2.273 1.00 0.00 C ATOM 886 O GLU A 84 -11.365 -0.605 1.962 1.00 0.00 O ATOM 887 CB GLU A 84 -10.599 2.224 0.676 1.00 0.00 C ATOM 888 CG GLU A 84 -11.311 3.383 -0.029 1.00 0.00 C ATOM 889 CD GLU A 84 -12.569 2.912 -0.787 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.620 2.677 -0.144 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.521 2.786 -2.036 1.00 0.00 O ATOM 0 H GLU A 84 -9.949 3.253 2.847 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.272 1.785 2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.557 2.505 0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.604 1.363 0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.592 4.137 0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.624 3.860 -0.728 1.00 0.00 H new ATOM 898 N VAL A 85 -9.447 0.212 2.817 1.00 0.00 N ATOM 899 CA VAL A 85 -8.740 -1.084 2.847 1.00 0.00 C ATOM 900 C VAL A 85 -7.782 -1.308 4.029 1.00 0.00 C ATOM 901 O VAL A 85 -7.429 -2.452 4.302 1.00 0.00 O ATOM 902 CB VAL A 85 -8.081 -1.311 1.461 1.00 0.00 C ATOM 903 CG1 VAL A 85 -7.104 -0.201 1.074 1.00 0.00 C ATOM 904 CG2 VAL A 85 -7.398 -2.668 1.312 1.00 0.00 C ATOM 0 H VAL A 85 -8.926 0.977 3.245 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.488 -1.854 3.038 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.924 -1.290 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.676 -0.418 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.632 0.752 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.306 -0.145 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.962 -2.749 0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.612 -2.764 2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.132 -3.462 1.453 1.00 0.00 H new ATOM 914 N HIS A 86 -7.430 -0.305 4.841 1.00 0.00 N ATOM 915 CA HIS A 86 -6.713 -0.570 6.111 1.00 0.00 C ATOM 916 C HIS A 86 -7.579 -1.388 7.073 1.00 0.00 C ATOM 917 O HIS A 86 -8.633 -0.927 7.523 1.00 0.00 O ATOM 918 CB HIS A 86 -6.283 0.720 6.815 1.00 0.00 C ATOM 919 CG HIS A 86 -5.340 0.510 7.979 1.00 0.00 C ATOM 920 ND1 HIS A 86 -4.035 0.935 8.029 1.00 0.00 N ATOM 921 CD2 HIS A 86 -5.613 -0.076 9.186 1.00 0.00 C ATOM 922 CE1 HIS A 86 -3.523 0.604 9.225 1.00 0.00 C ATOM 923 NE2 HIS A 86 -4.451 -0.024 9.970 1.00 0.00 N ATOM 0 H HIS A 86 -7.621 0.680 4.655 1.00 0.00 H new ATOM 0 HA HIS A 86 -5.821 -1.136 5.842 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.803 1.374 6.087 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -7.173 1.239 7.172 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -3.538 1.421 7.282 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -6.559 -0.504 9.483 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -2.512 0.812 9.543 1.00 0.00 H new ATOM 931 N GLY A 87 -7.135 -2.599 7.406 1.00 0.00 N ATOM 932 CA GLY A 87 -7.758 -3.445 8.435 1.00 0.00 C ATOM 933 C GLY A 87 -8.659 -4.521 7.832 1.00 0.00 C ATOM 934 O GLY A 87 -9.312 -5.274 8.556 1.00 0.00 O ATOM 0 H GLY A 87 -6.322 -3.030 6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.980 -3.919 9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.343 -2.821 9.110 1.00 0.00 H new ATOM 938 N LYS A 88 -8.698 -4.581 6.496 1.00 0.00 N ATOM 939 CA LYS A 88 -9.512 -5.481 5.691 1.00 0.00 C ATOM 940 C LYS A 88 -8.654 -6.661 5.271 1.00 0.00 C ATOM 941 O LYS A 88 -7.529 -6.476 4.819 1.00 0.00 O ATOM 942 CB LYS A 88 -9.941 -4.719 4.443 1.00 0.00 C ATOM 943 CG LYS A 88 -11.111 -3.739 4.626 1.00 0.00 C ATOM 944 CD LYS A 88 -10.798 -2.569 5.579 1.00 0.00 C ATOM 945 CE LYS A 88 -11.634 -1.333 5.241 1.00 0.00 C ATOM 946 NZ LYS A 88 -11.157 -0.120 5.962 1.00 0.00 N ATOM 0 H LYS A 88 -8.126 -3.964 5.920 1.00 0.00 H new ATOM 0 HA LYS A 88 -10.380 -5.832 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.082 -4.163 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.215 -5.442 3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.392 -3.337 3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.974 -4.285 5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.995 -2.873 6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.738 -2.321 5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.597 -1.154 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.677 -1.520 5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.660 0.717 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.342 -0.226 6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.136 -0.003 5.806 1.00 0.00 H new ATOM 960 N SER A 89 -9.181 -7.861 5.430 1.00 0.00 N ATOM 961 CA SER A 89 -8.441 -9.122 5.293 1.00 0.00 C ATOM 962 C SER A 89 -8.225 -9.543 3.834 1.00 0.00 C ATOM 963 O SER A 89 -9.120 -10.137 3.221 1.00 0.00 O ATOM 964 CB SER A 89 -9.137 -10.227 6.111 1.00 0.00 C ATOM 965 OG SER A 89 -10.514 -10.352 5.782 1.00 0.00 O ATOM 0 H SER A 89 -10.164 -8.000 5.665 1.00 0.00 H new ATOM 0 HA SER A 89 -7.441 -8.959 5.695 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.635 -11.178 5.934 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.038 -10.007 7.174 1.00 0.00 H new ATOM 0 HG SER A 89 -10.619 -10.347 4.808 1.00 0.00 H new ATOM 971 N PHE A 90 -7.044 -9.273 3.261 1.00 0.00 N ATOM 972 CA PHE A 90 -6.667 -9.829 1.953 1.00 0.00 C ATOM 973 C PHE A 90 -5.776 -11.077 2.128 1.00 0.00 C ATOM 974 O PHE A 90 -4.941 -11.123 3.028 1.00 0.00 O ATOM 975 CB PHE A 90 -6.009 -8.710 1.149 1.00 0.00 C ATOM 976 CG PHE A 90 -6.070 -8.918 -0.344 1.00 0.00 C ATOM 977 CD1 PHE A 90 -5.328 -9.937 -0.961 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.962 -8.135 -1.103 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.508 -10.204 -2.329 1.00 0.00 C ATOM 980 CE2 PHE A 90 -7.122 -8.382 -2.474 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.413 -9.433 -3.077 1.00 0.00 C ATOM 0 H PHE A 90 -6.334 -8.674 3.682 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.539 -10.180 1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.493 -7.765 1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.966 -8.622 1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.620 -10.515 -0.386 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.523 -7.344 -0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.952 -10.999 -2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.787 -7.767 -3.063 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.565 -9.650 -4.124 1.00 0.00 H new ATOM 991 N ALA A 91 -5.937 -12.082 1.255 1.00 0.00 N ATOM 992 CA ALA A 91 -5.234 -13.382 1.203 1.00 0.00 C ATOM 993 C ALA A 91 -5.246 -14.241 2.489 1.00 0.00 C ATOM 994 O ALA A 91 -5.744 -15.369 2.480 1.00 0.00 O ATOM 995 CB ALA A 91 -3.805 -13.159 0.679 1.00 0.00 C ATOM 0 H ALA A 91 -6.619 -12.004 0.501 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.817 -13.995 0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.280 -14.113 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.847 -12.724 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.274 -12.481 1.347 1.00 0.00 H new ATOM 1001 N ASN A 92 -4.697 -13.728 3.599 1.00 0.00 N ATOM 1002 CA ASN A 92 -4.592 -14.381 4.907 1.00 0.00 C ATOM 1003 C ASN A 92 -4.593 -13.394 6.108 1.00 0.00 C ATOM 1004 O ASN A 92 -4.682 -13.844 7.250 1.00 0.00 O ATOM 1005 CB ASN A 92 -3.318 -15.256 4.899 1.00 0.00 C ATOM 1006 CG ASN A 92 -2.035 -14.439 4.870 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -1.621 -13.875 5.867 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -1.368 -14.319 3.745 1.00 0.00 N ATOM 0 H ASN A 92 -4.292 -12.792 3.606 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.483 -14.991 5.055 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.316 -15.893 5.783 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.342 -15.915 4.031 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.516 -13.759 3.715 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.702 -14.785 2.902 1.00 0.00 H new ATOM 1015 N GLN A 93 -4.482 -12.074 5.879 1.00 0.00 N ATOM 1016 CA GLN A 93 -4.296 -11.057 6.929 1.00 0.00 C ATOM 1017 C GLN A 93 -4.735 -9.658 6.449 1.00 0.00 C ATOM 1018 O GLN A 93 -4.882 -9.422 5.246 1.00 0.00 O ATOM 1019 CB GLN A 93 -2.817 -11.054 7.394 1.00 0.00 C ATOM 1020 CG GLN A 93 -1.860 -10.473 6.352 1.00 0.00 C ATOM 1021 CD GLN A 93 -0.382 -10.663 6.665 1.00 0.00 C ATOM 1022 OE1 GLN A 93 0.299 -9.774 7.162 1.00 0.00 O ATOM 1023 NE2 GLN A 93 0.164 -11.811 6.332 1.00 0.00 N ATOM 0 H GLN A 93 -4.520 -11.676 4.941 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.932 -11.313 7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.734 -10.478 8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.514 -12.075 7.627 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.074 -10.932 5.387 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.061 -9.407 6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.408 -12.547 5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.160 -11.966 6.487 1.00 0.00 H new ATOM 1032 N PRO A 94 -4.952 -8.695 7.357 1.00 0.00 N ATOM 1033 CA PRO A 94 -5.301 -7.348 6.949 1.00 0.00 C ATOM 1034 C PRO A 94 -4.128 -6.522 6.432 1.00 0.00 C ATOM 1035 O PRO A 94 -2.974 -6.668 6.837 1.00 0.00 O ATOM 1036 CB PRO A 94 -5.941 -6.702 8.183 1.00 0.00 C ATOM 1037 CG PRO A 94 -5.263 -7.432 9.337 1.00 0.00 C ATOM 1038 CD PRO A 94 -5.114 -8.846 8.793 1.00 0.00 C ATOM 0 HA PRO A 94 -5.978 -7.387 6.095 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.756 -5.628 8.219 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.022 -6.840 8.197 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.298 -6.990 9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.868 -7.408 10.243 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.253 -9.347 9.234 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.990 -9.451 9.028 1.00 0.00 H new ATOM 1046 N LEU A 95 -4.475 -5.607 5.525 1.00 0.00 N ATOM 1047 CA LEU A 95 -3.608 -4.562 5.002 1.00 0.00 C ATOM 1048 C LEU A 95 -3.290 -3.484 6.055 1.00 0.00 C ATOM 1049 O LEU A 95 -4.102 -3.194 6.935 1.00 0.00 O ATOM 1050 CB LEU A 95 -4.328 -3.919 3.806 1.00 0.00 C ATOM 1051 CG LEU A 95 -4.513 -4.739 2.518 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -3.331 -5.634 2.190 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -5.789 -5.544 2.510 1.00 0.00 C ATOM 0 H LEU A 95 -5.411 -5.577 5.120 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.657 -5.006 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.317 -3.610 4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.784 -3.012 3.543 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.581 -3.987 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.533 -6.181 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.437 -5.024 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.173 -6.341 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.862 -6.101 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.785 -6.241 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.643 -4.873 2.600 1.00 0.00 H new ATOM 1065 N GLU A 96 -2.144 -2.820 5.892 1.00 0.00 N ATOM 1066 CA GLU A 96 -1.604 -1.780 6.780 1.00 0.00 C ATOM 1067 C GLU A 96 -1.305 -0.504 5.964 1.00 0.00 C ATOM 1068 O GLU A 96 -0.223 0.077 5.917 1.00 0.00 O ATOM 1069 CB GLU A 96 -0.420 -2.367 7.553 1.00 0.00 C ATOM 1070 CG GLU A 96 -0.096 -1.552 8.810 1.00 0.00 C ATOM 1071 CD GLU A 96 0.938 -2.275 9.699 1.00 0.00 C ATOM 1072 OE1 GLU A 96 0.776 -3.492 9.966 1.00 0.00 O ATOM 1073 OE2 GLU A 96 1.926 -1.637 10.135 1.00 0.00 O ATOM 0 H GLU A 96 -1.533 -3.000 5.096 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.324 -1.463 7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.645 -3.395 7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.456 -2.399 6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.290 -0.574 8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.010 -1.379 9.379 1.00 0.00 H new ATOM 1080 N VAL A 97 -2.324 -0.113 5.205 1.00 0.00 N ATOM 1081 CA VAL A 97 -2.395 1.030 4.286 1.00 0.00 C ATOM 1082 C VAL A 97 -2.358 2.303 5.128 1.00 0.00 C ATOM 1083 O VAL A 97 -3.318 2.525 5.863 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.757 0.907 3.600 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -4.196 2.108 2.776 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.787 -0.337 2.695 1.00 0.00 C ATOM 0 H VAL A 97 -3.202 -0.631 5.215 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.582 1.055 3.561 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.463 0.833 4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.174 1.910 2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -4.258 2.987 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.471 2.289 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.762 -0.413 2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.011 -0.252 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.609 -1.229 3.296 1.00 0.00 H new ATOM 1096 N VAL A 98 -1.293 3.119 5.111 1.00 0.00 N ATOM 1097 CA VAL A 98 -1.146 4.111 6.182 1.00 0.00 C ATOM 1098 C VAL A 98 -0.230 5.312 5.852 1.00 0.00 C ATOM 1099 O VAL A 98 -0.352 5.969 4.807 1.00 0.00 O ATOM 1100 CB VAL A 98 -0.798 3.256 7.454 1.00 0.00 C ATOM 1101 CG1 VAL A 98 0.658 2.871 7.799 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -1.687 3.728 8.596 1.00 0.00 C ATOM 0 H VAL A 98 -0.556 3.115 4.406 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.060 4.679 6.354 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.031 2.228 7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.671 2.282 8.716 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.082 2.284 6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.250 3.775 7.941 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.465 3.149 9.493 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.500 4.784 8.790 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.733 3.589 8.324 1.00 0.00 H new ATOM 1112 N TYR A 99 0.686 5.624 6.758 1.00 0.00 N ATOM 1113 CA TYR A 99 1.825 6.527 6.592 1.00 0.00 C ATOM 1114 C TYR A 99 3.106 5.664 6.530 1.00 0.00 C ATOM 1115 O TYR A 99 4.028 5.837 7.321 1.00 0.00 O ATOM 1116 CB TYR A 99 1.829 7.578 7.719 1.00 0.00 C ATOM 1117 CG TYR A 99 0.612 8.495 7.830 1.00 0.00 C ATOM 1118 CD1 TYR A 99 -0.321 8.642 6.777 1.00 0.00 C ATOM 1119 CD2 TYR A 99 0.449 9.266 8.998 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -1.397 9.542 6.886 1.00 0.00 C ATOM 1121 CE2 TYR A 99 -0.627 10.168 9.115 1.00 0.00 C ATOM 1122 CZ TYR A 99 -1.556 10.310 8.064 1.00 0.00 C ATOM 1123 OH TYR A 99 -2.581 11.198 8.173 1.00 0.00 O ATOM 0 H TYR A 99 0.654 5.226 7.697 1.00 0.00 H new ATOM 0 HA TYR A 99 1.764 7.096 5.664 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.943 7.054 8.668 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.712 8.204 7.592 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.206 8.056 5.877 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.154 9.165 9.810 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.100 9.646 6.073 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.741 10.754 10.015 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.541 11.638 9.047 1.00 0.00 H new ATOM 1133 N SER A 100 3.097 4.650 5.653 1.00 0.00 N ATOM 1134 CA SER A 100 4.105 3.573 5.569 1.00 0.00 C ATOM 1135 C SER A 100 5.554 4.067 5.466 1.00 0.00 C ATOM 1136 O SER A 100 5.812 5.134 4.905 1.00 0.00 O ATOM 1137 CB SER A 100 3.800 2.505 4.536 1.00 0.00 C ATOM 1138 OG SER A 100 2.475 2.110 4.768 1.00 0.00 O ATOM 0 H SER A 100 2.361 4.550 4.954 1.00 0.00 H new ATOM 0 HA SER A 100 4.019 3.086 6.540 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.920 2.895 3.525 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.482 1.660 4.635 1.00 0.00 H new ATOM 0 HG SER A 100 1.866 2.817 4.469 1.00 0.00 H new ATOM 1144 N LYS A 101 6.520 3.278 5.960 1.00 0.00 N ATOM 1145 CA LYS A 101 7.956 3.598 5.880 1.00 0.00 C ATOM 1146 C LYS A 101 8.826 2.333 5.807 1.00 0.00 C ATOM 1147 O LYS A 101 8.487 1.285 6.359 1.00 0.00 O ATOM 1148 CB LYS A 101 8.320 4.516 7.072 1.00 0.00 C ATOM 1149 CG LYS A 101 9.769 5.038 7.124 1.00 0.00 C ATOM 1150 CD LYS A 101 10.190 5.890 5.910 1.00 0.00 C ATOM 1151 CE LYS A 101 11.672 6.270 6.042 1.00 0.00 C ATOM 1152 NZ LYS A 101 12.239 6.742 4.755 1.00 0.00 N ATOM 0 H LYS A 101 6.327 2.393 6.430 1.00 0.00 H new ATOM 0 HA LYS A 101 8.163 4.132 4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.649 5.375 7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.121 3.971 7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.895 5.632 8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.445 4.187 7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.027 5.333 4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.576 6.789 5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.781 7.051 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.238 5.407 6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.241 6.989 4.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.159 5.988 4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.716 7.581 4.432 1.00 0.00 H new ATOM 1166 N LEU A 102 9.952 2.474 5.111 1.00 0.00 N ATOM 1167 CA LEU A 102 11.032 1.508 4.876 1.00 0.00 C ATOM 1168 C LEU A 102 12.365 2.303 4.740 1.00 0.00 C ATOM 1169 O LEU A 102 12.330 3.523 4.926 1.00 0.00 O ATOM 1170 CB LEU A 102 10.651 0.625 3.655 1.00 0.00 C ATOM 1171 CG LEU A 102 10.786 1.242 2.241 1.00 0.00 C ATOM 1172 CD1 LEU A 102 10.688 0.139 1.191 1.00 0.00 C ATOM 1173 CD2 LEU A 102 9.702 2.275 1.932 1.00 0.00 C ATOM 0 H LEU A 102 10.155 3.360 4.648 1.00 0.00 H new ATOM 0 HA LEU A 102 11.177 0.812 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.267 -0.273 3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 102 9.616 0.307 3.783 1.00 0.00 H new ATOM 0 HG LEU A 102 11.754 1.743 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.783 0.574 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.487 -0.585 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.723 -0.361 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.852 2.670 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.721 1.803 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.759 3.089 2.654 1.00 0.00 H new ATOM 1185 N PRO A 103 13.537 1.707 4.426 1.00 0.00 N ATOM 1186 CA PRO A 103 14.801 2.450 4.268 1.00 0.00 C ATOM 1187 C PRO A 103 14.770 3.662 3.312 1.00 0.00 C ATOM 1188 O PRO A 103 15.559 4.595 3.484 1.00 0.00 O ATOM 1189 CB PRO A 103 15.825 1.415 3.790 1.00 0.00 C ATOM 1190 CG PRO A 103 15.308 0.116 4.404 1.00 0.00 C ATOM 1191 CD PRO A 103 13.792 0.278 4.310 1.00 0.00 C ATOM 0 HA PRO A 103 15.044 2.909 5.226 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.866 1.360 2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.831 1.653 4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 103 15.656 -0.758 3.854 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.639 -0.004 5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 103 13.415 -0.111 3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.290 -0.274 5.104 1.00 0.00 H new ATOM 1199 N ALA A 104 13.849 3.669 2.335 1.00 0.00 N ATOM 1200 CA ALA A 104 13.589 4.766 1.389 1.00 0.00 C ATOM 1201 C ALA A 104 12.083 5.096 1.326 1.00 0.00 C ATOM 1202 O ALA A 104 11.460 5.002 0.245 1.00 0.00 O ATOM 1203 CB ALA A 104 14.220 4.398 0.033 1.00 0.00 C ATOM 0 H ALA A 104 13.235 2.870 2.176 1.00 0.00 H new ATOM 0 HA ALA A 104 14.057 5.692 1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.038 5.200 -0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.294 4.259 0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.775 3.474 -0.336 1.00 0.00 H new TER 1209 ALA A 104