USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 545 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= 0.648 K(o=2.1,f=-0.81) USER MOD Set 1.2: A 93 GLN : amide:sc= 1.45 K(o=2.1,f=-6.5!) USER MOD Set 2.1: A 77 SER OG : rot -97:sc= 1.64 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -171:sc= 1.89 (180deg=1.27) USER MOD Single : A 30 SER OG : rot 20:sc= 0.257 USER MOD Single : A 31 ASN : amide:sc= -0.0237 K(o=-0.024,f=-0.66) USER MOD Single : A 32 THR OG1 : rot 150:sc= 0.541 USER MOD Single : A 44 GLN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 46 SER OG : rot 64:sc= 0.877 USER MOD Single : A 49 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 58 MET CE :methyl -175:sc= -2.46 (180deg=-2.94) USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= 1.81 (180deg=1.18) USER MOD Single : A 62 LYS NZ :NH3+ -149:sc= 1.04 (180deg=0.485) USER MOD Single : A 65 ASN : amide:sc= -0.594 X(o=-0.59,f=-0.51) USER MOD Single : A 86 HIS : no HE2:sc= 0.538 K(o=0.54,f=-3.4!) USER MOD Single : A 88 LYS NZ :NH3+ 161:sc= 1.3 (180deg=0.86) USER MOD Single : A 89 SER OG : rot 41:sc= 0.112 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -170:sc= -0.401 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 6.167 9.977 6.163 1.00 0.00 N ATOM 36 CA SER A 30 6.013 9.849 4.704 1.00 0.00 C ATOM 37 C SER A 30 4.591 10.124 4.163 1.00 0.00 C ATOM 38 O SER A 30 4.422 10.251 2.954 1.00 0.00 O ATOM 39 CB SER A 30 6.462 8.446 4.261 1.00 0.00 C ATOM 40 OG SER A 30 7.709 8.100 4.851 1.00 0.00 O ATOM 0 HA SER A 30 6.644 10.629 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.706 7.713 4.543 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.548 8.414 3.175 1.00 0.00 H new ATOM 0 HG SER A 30 7.863 8.658 5.642 1.00 0.00 H new ATOM 46 N ASN A 31 3.587 10.232 5.046 1.00 0.00 N ATOM 47 CA ASN A 31 2.186 10.677 4.869 1.00 0.00 C ATOM 48 C ASN A 31 1.326 10.110 3.713 1.00 0.00 C ATOM 49 O ASN A 31 0.156 10.477 3.615 1.00 0.00 O ATOM 50 CB ASN A 31 2.086 12.213 4.998 1.00 0.00 C ATOM 51 CG ASN A 31 2.816 13.014 3.929 1.00 0.00 C ATOM 52 OD1 ASN A 31 2.246 13.429 2.935 1.00 0.00 O ATOM 53 ND2 ASN A 31 4.081 13.311 4.131 1.00 0.00 N ATOM 0 H ASN A 31 3.753 9.980 6.020 1.00 0.00 H new ATOM 0 HA ASN A 31 1.688 10.176 5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.033 12.493 4.980 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.476 12.503 5.973 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.583 13.888 3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.560 12.965 4.962 1.00 0.00 H new ATOM 60 N THR A 32 1.836 9.205 2.879 1.00 0.00 N ATOM 61 CA THR A 32 1.158 8.781 1.640 1.00 0.00 C ATOM 62 C THR A 32 1.369 7.302 1.281 1.00 0.00 C ATOM 63 O THR A 32 1.129 6.928 0.134 1.00 0.00 O ATOM 64 CB THR A 32 1.630 9.625 0.436 1.00 0.00 C ATOM 65 OG1 THR A 32 2.939 9.276 0.043 1.00 0.00 O ATOM 66 CG2 THR A 32 1.663 11.130 0.667 1.00 0.00 C ATOM 0 H THR A 32 2.730 8.741 3.037 1.00 0.00 H new ATOM 0 HA THR A 32 0.098 8.932 1.843 1.00 0.00 H new ATOM 0 HB THR A 32 0.881 9.399 -0.323 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.041 9.422 -0.921 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.008 11.630 -0.238 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.662 11.482 0.917 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.343 11.357 1.488 1.00 0.00 H new ATOM 74 N ARG A 33 1.791 6.433 2.223 1.00 0.00 N ATOM 75 CA ARG A 33 2.351 5.113 1.863 1.00 0.00 C ATOM 76 C ARG A 33 1.714 3.907 2.512 1.00 0.00 C ATOM 77 O ARG A 33 1.592 3.762 3.728 1.00 0.00 O ATOM 78 CB ARG A 33 3.823 5.036 2.213 1.00 0.00 C ATOM 79 CG ARG A 33 4.771 5.716 1.268 1.00 0.00 C ATOM 80 CD ARG A 33 6.229 5.640 1.719 1.00 0.00 C ATOM 81 NE ARG A 33 7.112 5.875 0.566 1.00 0.00 N ATOM 82 CZ ARG A 33 8.313 5.392 0.338 1.00 0.00 C ATOM 83 NH1 ARG A 33 9.016 4.761 1.221 1.00 0.00 N ATOM 84 NH2 ARG A 33 8.820 5.543 -0.835 1.00 0.00 N ATOM 0 H ARG A 33 1.756 6.617 3.226 1.00 0.00 H new ATOM 0 HA ARG A 33 2.149 5.061 0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.961 5.467 3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.103 3.985 2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.679 5.262 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.483 6.762 1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.420 6.382 2.494 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.435 4.663 2.155 1.00 0.00 H new ATOM 0 HE ARG A 33 6.742 6.496 -0.153 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.644 4.614 2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.943 4.411 0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.292 6.028 -1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.750 5.178 -1.039 1.00 0.00 H new ATOM 98 N LEU A 34 1.469 2.929 1.665 1.00 0.00 N ATOM 99 CA LEU A 34 0.636 1.820 2.027 1.00 0.00 C ATOM 100 C LEU A 34 1.453 0.544 2.139 1.00 0.00 C ATOM 101 O LEU A 34 1.871 -0.027 1.129 1.00 0.00 O ATOM 102 CB LEU A 34 -0.535 1.758 1.060 1.00 0.00 C ATOM 103 CG LEU A 34 -1.274 3.060 0.643 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.446 4.110 1.741 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.646 3.694 -0.592 1.00 0.00 C ATOM 0 H LEU A 34 1.842 2.887 0.716 1.00 0.00 H new ATOM 0 HA LEU A 34 0.211 1.951 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.175 1.284 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.278 1.090 1.495 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.282 2.715 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.974 4.974 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.021 3.685 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.466 4.420 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.191 4.602 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.395 3.942 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.692 2.992 -1.425 1.00 0.00 H new ATOM 117 N PHE A 35 1.698 0.161 3.390 1.00 0.00 N ATOM 118 CA PHE A 35 2.619 -0.891 3.801 1.00 0.00 C ATOM 119 C PHE A 35 1.825 -2.173 4.032 1.00 0.00 C ATOM 120 O PHE A 35 1.096 -2.373 5.004 1.00 0.00 O ATOM 121 CB PHE A 35 3.462 -0.355 4.972 1.00 0.00 C ATOM 122 CG PHE A 35 4.404 -1.303 5.722 1.00 0.00 C ATOM 123 CD1 PHE A 35 3.921 -2.348 6.537 1.00 0.00 C ATOM 124 CD2 PHE A 35 5.800 -1.106 5.657 1.00 0.00 C ATOM 125 CE1 PHE A 35 4.801 -3.159 7.278 1.00 0.00 C ATOM 126 CE2 PHE A 35 6.684 -1.907 6.408 1.00 0.00 C ATOM 127 CZ PHE A 35 6.185 -2.936 7.219 1.00 0.00 C ATOM 0 H PHE A 35 1.234 0.601 4.185 1.00 0.00 H new ATOM 0 HA PHE A 35 3.349 -1.168 3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.065 0.469 4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.773 0.067 5.704 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.858 -2.529 6.593 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.198 -0.329 5.021 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.410 -3.955 7.894 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.748 -1.728 6.359 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.861 -3.552 7.794 1.00 0.00 H new ATOM 137 N VAL A 36 1.875 -3.030 3.021 1.00 0.00 N ATOM 138 CA VAL A 36 1.002 -4.193 2.930 1.00 0.00 C ATOM 139 C VAL A 36 1.828 -5.394 2.491 1.00 0.00 C ATOM 140 O VAL A 36 2.637 -5.321 1.566 1.00 0.00 O ATOM 141 CB VAL A 36 -0.220 -3.883 2.068 1.00 0.00 C ATOM 142 CG1 VAL A 36 -1.120 -2.849 2.741 1.00 0.00 C ATOM 143 CG2 VAL A 36 0.124 -3.259 0.729 1.00 0.00 C ATOM 0 H VAL A 36 2.523 -2.938 2.239 1.00 0.00 H new ATOM 0 HA VAL A 36 0.582 -4.454 3.901 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.699 -4.853 1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.982 -2.648 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.461 -3.234 3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.561 -1.926 2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.792 -3.066 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.655 -2.321 0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.757 -3.941 0.162 1.00 0.00 H new ATOM 153 N ARG A 37 1.688 -6.488 3.235 1.00 0.00 N ATOM 154 CA ARG A 37 2.574 -7.666 3.144 1.00 0.00 C ATOM 155 C ARG A 37 1.996 -9.087 3.362 1.00 0.00 C ATOM 156 O ARG A 37 2.814 -10.005 3.447 1.00 0.00 O ATOM 157 CB ARG A 37 3.800 -7.385 4.044 1.00 0.00 C ATOM 158 CG ARG A 37 3.511 -7.303 5.558 1.00 0.00 C ATOM 159 CD ARG A 37 4.283 -8.347 6.382 1.00 0.00 C ATOM 160 NE ARG A 37 3.947 -9.717 5.960 1.00 0.00 N ATOM 161 CZ ARG A 37 3.229 -10.629 6.584 1.00 0.00 C ATOM 162 NH1 ARG A 37 2.840 -10.522 7.813 1.00 0.00 N ATOM 163 NH2 ARG A 37 2.850 -11.693 5.944 1.00 0.00 N ATOM 0 H ARG A 37 0.949 -6.592 3.930 1.00 0.00 H new ATOM 0 HA ARG A 37 2.817 -7.750 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.539 -8.168 3.875 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.253 -6.446 3.727 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.767 -6.306 5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.442 -7.437 5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.355 -8.182 6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.051 -8.223 7.440 1.00 0.00 H new ATOM 0 HE ARG A 37 4.324 -10.001 5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.088 -9.695 8.356 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.285 -11.265 8.239 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.108 -11.818 4.965 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.294 -12.404 6.420 1.00 0.00 H new ATOM 177 N PRO A 38 0.673 -9.357 3.480 1.00 0.00 N ATOM 178 CA PRO A 38 0.169 -10.732 3.661 1.00 0.00 C ATOM 179 C PRO A 38 0.745 -11.781 2.703 1.00 0.00 C ATOM 180 O PRO A 38 1.197 -12.856 3.101 1.00 0.00 O ATOM 181 CB PRO A 38 -1.346 -10.642 3.442 1.00 0.00 C ATOM 182 CG PRO A 38 -1.689 -9.222 3.829 1.00 0.00 C ATOM 183 CD PRO A 38 -0.447 -8.418 3.458 1.00 0.00 C ATOM 0 HA PRO A 38 0.470 -11.073 4.652 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.612 -10.848 2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.882 -11.364 4.058 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.568 -8.865 3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.911 -9.143 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.556 -7.967 2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.286 -7.604 4.165 1.00 0.00 H new ATOM 191 N PHE A 39 0.708 -11.416 1.425 1.00 0.00 N ATOM 192 CA PHE A 39 0.954 -12.218 0.238 1.00 0.00 C ATOM 193 C PHE A 39 2.393 -12.749 0.087 1.00 0.00 C ATOM 194 O PHE A 39 3.350 -12.028 0.382 1.00 0.00 O ATOM 195 CB PHE A 39 0.600 -11.356 -0.988 1.00 0.00 C ATOM 196 CG PHE A 39 0.313 -9.881 -0.713 1.00 0.00 C ATOM 197 CD1 PHE A 39 1.386 -9.000 -0.489 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.010 -9.400 -0.644 1.00 0.00 C ATOM 199 CE1 PHE A 39 1.144 -7.633 -0.280 1.00 0.00 C ATOM 200 CE2 PHE A 39 -1.252 -8.037 -0.396 1.00 0.00 C ATOM 201 CZ PHE A 39 -0.174 -7.149 -0.235 1.00 0.00 C ATOM 0 H PHE A 39 0.482 -10.454 1.173 1.00 0.00 H new ATOM 0 HA PHE A 39 0.333 -13.109 0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.423 -11.418 -1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.274 -11.791 -1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.398 -9.376 -0.478 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.839 -10.079 -0.782 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.973 -6.952 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.266 -7.672 -0.329 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.359 -6.097 -0.077 1.00 0.00 H new ATOM 211 N PRO A 40 2.557 -13.991 -0.402 1.00 0.00 N ATOM 212 CA PRO A 40 3.819 -14.525 -0.917 1.00 0.00 C ATOM 213 C PRO A 40 4.375 -13.726 -2.128 1.00 0.00 C ATOM 214 O PRO A 40 3.952 -12.608 -2.427 1.00 0.00 O ATOM 215 CB PRO A 40 3.490 -15.967 -1.336 1.00 0.00 C ATOM 216 CG PRO A 40 2.321 -16.364 -0.447 1.00 0.00 C ATOM 217 CD PRO A 40 1.560 -15.053 -0.307 1.00 0.00 C ATOM 0 HA PRO A 40 4.598 -14.461 -0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.223 -16.023 -2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.344 -16.628 -1.188 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.709 -17.143 -0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.655 -16.745 0.518 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.809 -14.953 -1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.033 -15.008 0.646 1.00 0.00 H new ATOM 225 N LEU A 41 5.301 -14.335 -2.875 1.00 0.00 N ATOM 226 CA LEU A 41 5.868 -13.852 -4.148 1.00 0.00 C ATOM 227 C LEU A 41 4.840 -13.813 -5.313 1.00 0.00 C ATOM 228 O LEU A 41 5.200 -14.045 -6.470 1.00 0.00 O ATOM 229 CB LEU A 41 7.103 -14.720 -4.512 1.00 0.00 C ATOM 230 CG LEU A 41 8.287 -14.829 -3.522 1.00 0.00 C ATOM 231 CD1 LEU A 41 8.751 -13.461 -3.033 1.00 0.00 C ATOM 232 CD2 LEU A 41 8.027 -15.716 -2.304 1.00 0.00 C ATOM 0 H LEU A 41 5.701 -15.231 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 41 6.170 -12.815 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.744 -15.732 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.501 -14.341 -5.453 1.00 0.00 H new ATOM 0 HG LEU A 41 9.068 -15.308 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.583 -13.585 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.073 -12.861 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.928 -12.958 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.913 -15.731 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.182 -15.321 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.800 -16.730 -2.634 1.00 0.00 H new ATOM 244 N ASP A 42 3.555 -13.563 -5.039 1.00 0.00 N ATOM 245 CA ASP A 42 2.427 -13.706 -5.975 1.00 0.00 C ATOM 246 C ASP A 42 1.519 -12.471 -6.152 1.00 0.00 C ATOM 247 O ASP A 42 0.829 -12.377 -7.166 1.00 0.00 O ATOM 248 CB ASP A 42 1.587 -14.933 -5.591 1.00 0.00 C ATOM 249 CG ASP A 42 0.956 -14.917 -4.182 1.00 0.00 C ATOM 250 OD1 ASP A 42 0.970 -13.872 -3.495 1.00 0.00 O ATOM 251 OD2 ASP A 42 0.426 -15.976 -3.772 1.00 0.00 O ATOM 0 H ASP A 42 3.256 -13.241 -4.118 1.00 0.00 H new ATOM 0 HA ASP A 42 2.895 -13.831 -6.951 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.787 -15.042 -6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.217 -15.818 -5.673 1.00 0.00 H new ATOM 256 N VAL A 43 1.523 -11.506 -5.222 1.00 0.00 N ATOM 257 CA VAL A 43 0.880 -10.194 -5.434 1.00 0.00 C ATOM 258 C VAL A 43 1.573 -9.461 -6.587 1.00 0.00 C ATOM 259 O VAL A 43 2.767 -9.656 -6.832 1.00 0.00 O ATOM 260 CB VAL A 43 0.888 -9.344 -4.151 1.00 0.00 C ATOM 261 CG1 VAL A 43 2.318 -9.052 -3.691 1.00 0.00 C ATOM 262 CG2 VAL A 43 0.097 -8.030 -4.266 1.00 0.00 C ATOM 0 H VAL A 43 1.966 -11.607 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.165 -10.360 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 43 0.377 -9.951 -3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.292 -8.450 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.834 -9.991 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.848 -8.507 -4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.151 -7.489 -3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.523 -7.417 -5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.945 -8.252 -4.498 1.00 0.00 H new ATOM 272 N GLN A 44 0.850 -8.593 -7.292 1.00 0.00 N ATOM 273 CA GLN A 44 1.387 -7.796 -8.395 1.00 0.00 C ATOM 274 C GLN A 44 0.771 -6.401 -8.391 1.00 0.00 C ATOM 275 O GLN A 44 -0.275 -6.175 -7.783 1.00 0.00 O ATOM 276 CB GLN A 44 1.064 -8.474 -9.745 1.00 0.00 C ATOM 277 CG GLN A 44 1.541 -9.920 -9.976 1.00 0.00 C ATOM 278 CD GLN A 44 3.026 -10.045 -10.310 1.00 0.00 C ATOM 279 OE1 GLN A 44 3.429 -10.082 -11.466 1.00 0.00 O ATOM 280 NE2 GLN A 44 3.899 -10.147 -9.336 1.00 0.00 N ATOM 0 H GLN A 44 -0.139 -8.421 -7.111 1.00 0.00 H new ATOM 0 HA GLN A 44 2.467 -7.720 -8.266 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.018 -8.458 -9.873 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.488 -7.855 -10.536 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.331 -10.507 -9.082 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.960 -10.357 -10.788 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.586 -10.119 -8.366 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.891 -10.255 -9.549 1.00 0.00 H new ATOM 289 N GLU A 45 1.359 -5.470 -9.138 1.00 0.00 N ATOM 290 CA GLU A 45 0.757 -4.157 -9.410 1.00 0.00 C ATOM 291 C GLU A 45 -0.679 -4.256 -9.956 1.00 0.00 C ATOM 292 O GLU A 45 -1.455 -3.336 -9.744 1.00 0.00 O ATOM 293 CB GLU A 45 1.677 -3.336 -10.328 1.00 0.00 C ATOM 294 CG GLU A 45 1.598 -3.718 -11.807 1.00 0.00 C ATOM 295 CD GLU A 45 1.944 -5.194 -12.087 1.00 0.00 C ATOM 296 OE1 GLU A 45 3.086 -5.619 -11.794 1.00 0.00 O ATOM 297 OE2 GLU A 45 1.052 -5.946 -12.552 1.00 0.00 O ATOM 0 H GLU A 45 2.271 -5.601 -9.576 1.00 0.00 H new ATOM 0 HA GLU A 45 0.664 -3.632 -8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.426 -2.280 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.706 -3.453 -9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.591 -3.515 -12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.277 -3.081 -12.374 1.00 0.00 H new ATOM 304 N SER A 46 -1.063 -5.372 -10.581 1.00 0.00 N ATOM 305 CA SER A 46 -2.433 -5.683 -11.020 1.00 0.00 C ATOM 306 C SER A 46 -3.391 -6.027 -9.854 1.00 0.00 C ATOM 307 O SER A 46 -4.566 -5.650 -9.869 1.00 0.00 O ATOM 308 CB SER A 46 -2.401 -6.864 -11.994 1.00 0.00 C ATOM 309 OG SER A 46 -1.682 -6.529 -13.175 1.00 0.00 O ATOM 0 H SER A 46 -0.403 -6.117 -10.806 1.00 0.00 H new ATOM 0 HA SER A 46 -2.816 -4.782 -11.499 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.937 -7.725 -11.513 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.419 -7.154 -12.253 1.00 0.00 H new ATOM 0 HG SER A 46 -0.746 -6.346 -12.948 1.00 0.00 H new ATOM 315 N GLU A 47 -2.897 -6.688 -8.804 1.00 0.00 N ATOM 316 CA GLU A 47 -3.672 -7.035 -7.615 1.00 0.00 C ATOM 317 C GLU A 47 -3.883 -5.763 -6.800 1.00 0.00 C ATOM 318 O GLU A 47 -4.983 -5.444 -6.342 1.00 0.00 O ATOM 319 CB GLU A 47 -2.851 -8.024 -6.773 1.00 0.00 C ATOM 320 CG GLU A 47 -2.716 -9.439 -7.341 1.00 0.00 C ATOM 321 CD GLU A 47 -4.074 -10.109 -7.629 1.00 0.00 C ATOM 322 OE1 GLU A 47 -4.858 -10.331 -6.678 1.00 0.00 O ATOM 323 OE2 GLU A 47 -4.357 -10.435 -8.812 1.00 0.00 O ATOM 0 H GLU A 47 -1.928 -7.002 -8.758 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.629 -7.477 -7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.851 -7.612 -6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.305 -8.093 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.135 -9.400 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.156 -10.055 -6.637 1.00 0.00 H new ATOM 330 N LEU A 48 -2.809 -4.978 -6.694 1.00 0.00 N ATOM 331 CA LEU A 48 -2.825 -3.673 -6.081 1.00 0.00 C ATOM 332 C LEU A 48 -3.662 -2.705 -6.945 1.00 0.00 C ATOM 333 O LEU A 48 -4.358 -1.851 -6.428 1.00 0.00 O ATOM 334 CB LEU A 48 -1.366 -3.249 -5.885 1.00 0.00 C ATOM 335 CG LEU A 48 -0.461 -4.228 -5.103 1.00 0.00 C ATOM 336 CD1 LEU A 48 0.974 -4.136 -5.568 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.326 -3.900 -3.640 1.00 0.00 C ATOM 0 H LEU A 48 -1.890 -5.249 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.306 -3.671 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.923 -3.087 -6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.356 -2.289 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.941 -5.192 -5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.586 -4.836 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.029 -4.383 -6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.343 -3.122 -5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.324 -4.632 -3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.105 -2.905 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.309 -3.925 -3.169 1.00 0.00 H new ATOM 349 N ASN A 49 -3.712 -2.867 -8.272 1.00 0.00 N ATOM 350 CA ASN A 49 -4.674 -2.120 -9.110 1.00 0.00 C ATOM 351 C ASN A 49 -6.130 -2.437 -8.739 1.00 0.00 C ATOM 352 O ASN A 49 -6.942 -1.520 -8.630 1.00 0.00 O ATOM 353 CB ASN A 49 -4.436 -2.330 -10.620 1.00 0.00 C ATOM 354 CG ASN A 49 -3.711 -1.162 -11.257 1.00 0.00 C ATOM 355 OD1 ASN A 49 -4.311 -0.285 -11.872 1.00 0.00 O ATOM 356 ND2 ASN A 49 -2.407 -1.113 -11.152 1.00 0.00 N ATOM 0 H ASN A 49 -3.106 -3.502 -8.791 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.496 -1.066 -8.898 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.856 -3.240 -10.771 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.394 -2.476 -11.119 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.889 -0.346 -11.581 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.909 -1.842 -10.641 1.00 0.00 H new ATOM 363 N GLU A 50 -6.465 -3.702 -8.473 1.00 0.00 N ATOM 364 CA GLU A 50 -7.797 -4.060 -7.963 1.00 0.00 C ATOM 365 C GLU A 50 -8.102 -3.509 -6.556 1.00 0.00 C ATOM 366 O GLU A 50 -9.247 -3.149 -6.270 1.00 0.00 O ATOM 367 CB GLU A 50 -7.974 -5.586 -7.984 1.00 0.00 C ATOM 368 CG GLU A 50 -8.786 -6.022 -9.211 1.00 0.00 C ATOM 369 CD GLU A 50 -9.246 -7.489 -9.103 1.00 0.00 C ATOM 370 OE1 GLU A 50 -10.219 -7.769 -8.359 1.00 0.00 O ATOM 371 OE2 GLU A 50 -8.665 -8.370 -9.777 1.00 0.00 O ATOM 0 H GLU A 50 -5.837 -4.495 -8.601 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.515 -3.585 -8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.997 -6.070 -7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.478 -5.911 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.657 -5.375 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.182 -5.896 -10.110 1.00 0.00 H new ATOM 378 N ILE A 51 -7.101 -3.427 -5.672 1.00 0.00 N ATOM 379 CA ILE A 51 -7.280 -3.006 -4.268 1.00 0.00 C ATOM 380 C ILE A 51 -7.226 -1.474 -4.095 1.00 0.00 C ATOM 381 O ILE A 51 -8.006 -0.920 -3.317 1.00 0.00 O ATOM 382 CB ILE A 51 -6.184 -3.672 -3.412 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.319 -5.211 -3.341 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.130 -3.098 -1.980 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.000 -5.894 -2.946 1.00 0.00 C ATOM 0 H ILE A 51 -6.134 -3.652 -5.908 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.272 -3.322 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.251 -3.438 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.092 -5.473 -2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.646 -5.590 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.343 -3.599 -1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.921 -2.029 -2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.088 -3.260 -1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.146 -6.974 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.232 -5.656 -3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.685 -5.537 -1.965 1.00 0.00 H new ATOM 397 N PHE A 52 -6.321 -0.795 -4.811 1.00 0.00 N ATOM 398 CA PHE A 52 -5.953 0.621 -4.638 1.00 0.00 C ATOM 399 C PHE A 52 -6.463 1.526 -5.769 1.00 0.00 C ATOM 400 O PHE A 52 -6.649 2.728 -5.573 1.00 0.00 O ATOM 401 CB PHE A 52 -4.434 0.782 -4.515 1.00 0.00 C ATOM 402 CG PHE A 52 -3.766 0.096 -3.347 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.561 -1.290 -3.378 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.279 0.834 -2.258 1.00 0.00 C ATOM 405 CE1 PHE A 52 -2.872 -1.951 -2.362 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.547 0.172 -1.261 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.307 -1.207 -1.330 1.00 0.00 C ATOM 0 H PHE A 52 -5.797 -1.239 -5.566 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.441 0.939 -3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.978 0.410 -5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.209 1.847 -4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.947 -1.861 -4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.465 1.896 -2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.778 -3.027 -2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.161 0.736 -0.424 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.688 -1.689 -0.588 1.00 0.00 H new ATOM 417 N GLY A 53 -6.749 0.959 -6.945 1.00 0.00 N ATOM 418 CA GLY A 53 -7.462 1.640 -8.029 1.00 0.00 C ATOM 419 C GLY A 53 -8.816 2.261 -7.631 1.00 0.00 C ATOM 420 O GLY A 53 -9.127 3.337 -8.152 1.00 0.00 O ATOM 0 H GLY A 53 -6.488 -0.000 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.821 2.427 -8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.630 0.928 -8.837 1.00 0.00 H new ATOM 424 N PRO A 54 -9.608 1.684 -6.689 1.00 0.00 N ATOM 425 CA PRO A 54 -10.798 2.341 -6.139 1.00 0.00 C ATOM 426 C PRO A 54 -10.518 3.696 -5.457 1.00 0.00 C ATOM 427 O PRO A 54 -11.395 4.563 -5.443 1.00 0.00 O ATOM 428 CB PRO A 54 -11.400 1.348 -5.136 1.00 0.00 C ATOM 429 CG PRO A 54 -10.864 -0.006 -5.589 1.00 0.00 C ATOM 430 CD PRO A 54 -9.468 0.373 -6.067 1.00 0.00 C ATOM 0 HA PRO A 54 -11.478 2.586 -6.955 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.094 1.577 -4.115 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.490 1.373 -5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.838 -0.731 -4.776 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.467 -0.442 -6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.765 0.407 -5.235 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.085 -0.359 -6.778 1.00 0.00 H new ATOM 438 N PHE A 55 -9.312 3.901 -4.911 1.00 0.00 N ATOM 439 CA PHE A 55 -8.915 5.155 -4.249 1.00 0.00 C ATOM 440 C PHE A 55 -8.503 6.201 -5.277 1.00 0.00 C ATOM 441 O PHE A 55 -8.845 7.379 -5.156 1.00 0.00 O ATOM 442 CB PHE A 55 -7.705 4.941 -3.334 1.00 0.00 C ATOM 443 CG PHE A 55 -7.705 3.701 -2.483 1.00 0.00 C ATOM 444 CD1 PHE A 55 -8.908 3.112 -2.065 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.479 3.079 -2.197 1.00 0.00 C ATOM 446 CE1 PHE A 55 -8.898 1.874 -1.418 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.466 1.891 -1.444 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.678 1.279 -1.082 1.00 0.00 C ATOM 0 H PHE A 55 -8.576 3.195 -4.915 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.779 5.488 -3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.809 4.926 -3.955 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.622 5.805 -2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.845 3.618 -2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.554 3.509 -2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.828 1.379 -1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.527 1.450 -1.145 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.667 0.344 -0.541 1.00 0.00 H new ATOM 458 N GLY A 56 -7.722 5.756 -6.266 1.00 0.00 N ATOM 459 CA GLY A 56 -7.413 6.511 -7.468 1.00 0.00 C ATOM 460 C GLY A 56 -5.929 6.781 -7.743 1.00 0.00 C ATOM 461 O GLY A 56 -5.377 6.198 -8.677 1.00 0.00 O ATOM 0 H GLY A 56 -7.280 4.837 -6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.827 5.976 -8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.929 7.469 -7.411 1.00 0.00 H new ATOM 465 N PRO A 57 -5.255 7.637 -6.950 1.00 0.00 N ATOM 466 CA PRO A 57 -3.934 8.176 -7.283 1.00 0.00 C ATOM 467 C PRO A 57 -2.734 7.293 -6.880 1.00 0.00 C ATOM 468 O PRO A 57 -1.714 7.837 -6.463 1.00 0.00 O ATOM 469 CB PRO A 57 -3.929 9.552 -6.608 1.00 0.00 C ATOM 470 CG PRO A 57 -4.646 9.246 -5.299 1.00 0.00 C ATOM 471 CD PRO A 57 -5.740 8.265 -5.722 1.00 0.00 C ATOM 0 HA PRO A 57 -3.793 8.225 -8.363 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.918 9.926 -6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.455 10.302 -7.199 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.972 8.806 -4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.064 10.146 -4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.920 7.521 -4.946 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.684 8.782 -5.893 1.00 0.00 H new ATOM 479 N MET A 58 -2.826 5.955 -6.958 1.00 0.00 N ATOM 480 CA MET A 58 -1.670 5.029 -6.851 1.00 0.00 C ATOM 481 C MET A 58 -0.520 5.503 -7.763 1.00 0.00 C ATOM 482 O MET A 58 -0.561 5.379 -8.992 1.00 0.00 O ATOM 483 CB MET A 58 -2.081 3.584 -7.125 1.00 0.00 C ATOM 484 CG MET A 58 -2.998 3.378 -8.338 1.00 0.00 C ATOM 485 SD MET A 58 -2.699 1.807 -9.187 1.00 0.00 S ATOM 486 CE MET A 58 -2.930 0.684 -7.792 1.00 0.00 C ATOM 0 H MET A 58 -3.714 5.473 -7.099 1.00 0.00 H new ATOM 0 HA MET A 58 -1.302 5.048 -5.825 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.179 2.989 -7.268 1.00 0.00 H new ATOM 0 HB3 MET A 58 -2.584 3.193 -6.240 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.037 3.417 -8.012 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.853 4.199 -9.041 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.697 -0.335 -8.103 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.267 0.975 -6.977 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.965 0.733 -7.453 1.00 0.00 H new ATOM 496 N LYS A 59 0.495 6.095 -7.130 1.00 0.00 N ATOM 497 CA LYS A 59 1.585 6.872 -7.720 1.00 0.00 C ATOM 498 C LYS A 59 2.920 6.147 -7.638 1.00 0.00 C ATOM 499 O LYS A 59 3.781 6.331 -8.499 1.00 0.00 O ATOM 500 CB LYS A 59 1.585 8.141 -6.865 1.00 0.00 C ATOM 501 CG LYS A 59 2.428 9.313 -7.301 1.00 0.00 C ATOM 502 CD LYS A 59 3.868 9.348 -6.807 1.00 0.00 C ATOM 503 CE LYS A 59 4.184 8.991 -5.355 1.00 0.00 C ATOM 504 NZ LYS A 59 5.655 9.019 -5.124 1.00 0.00 N ATOM 0 H LYS A 59 0.582 6.039 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 59 1.446 7.059 -8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.554 8.487 -6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.903 7.862 -5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.443 9.333 -8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.934 10.227 -6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.445 8.674 -7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.248 10.354 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.690 9.695 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.791 8.001 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.847 8.977 -4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.096 8.202 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.051 9.898 -5.515 1.00 0.00 H new ATOM 518 N GLU A 60 3.074 5.291 -6.630 1.00 0.00 N ATOM 519 CA GLU A 60 4.181 4.346 -6.534 1.00 0.00 C ATOM 520 C GLU A 60 3.696 3.035 -5.970 1.00 0.00 C ATOM 521 O GLU A 60 2.662 2.966 -5.314 1.00 0.00 O ATOM 522 CB GLU A 60 5.371 4.946 -5.762 1.00 0.00 C ATOM 523 CG GLU A 60 6.717 4.789 -6.470 1.00 0.00 C ATOM 524 CD GLU A 60 7.780 5.670 -5.786 1.00 0.00 C ATOM 525 OE1 GLU A 60 7.620 6.918 -5.812 1.00 0.00 O ATOM 526 OE2 GLU A 60 8.768 5.117 -5.237 1.00 0.00 O ATOM 0 H GLU A 60 2.423 5.235 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 60 4.562 4.139 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.183 6.006 -5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.431 4.472 -4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.029 3.745 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.620 5.070 -7.519 1.00 0.00 H new ATOM 533 N VAL A 61 4.416 1.984 -6.335 1.00 0.00 N ATOM 534 CA VAL A 61 4.019 0.598 -6.134 1.00 0.00 C ATOM 535 C VAL A 61 5.310 -0.203 -6.007 1.00 0.00 C ATOM 536 O VAL A 61 5.704 -0.970 -6.887 1.00 0.00 O ATOM 537 CB VAL A 61 3.131 0.110 -7.322 1.00 0.00 C ATOM 538 CG1 VAL A 61 2.365 -1.150 -6.939 1.00 0.00 C ATOM 539 CG2 VAL A 61 2.085 1.095 -7.875 1.00 0.00 C ATOM 0 H VAL A 61 5.322 2.076 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 61 3.413 0.472 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 61 3.870 -0.041 -8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.752 -1.473 -7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.070 -1.939 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.724 -0.940 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.541 0.626 -8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.386 1.366 -7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.586 1.992 -8.238 1.00 0.00 H new ATOM 549 N LYS A 62 6.049 0.083 -4.929 1.00 0.00 N ATOM 550 CA LYS A 62 7.313 -0.589 -4.622 1.00 0.00 C ATOM 551 C LYS A 62 6.972 -2.021 -4.210 1.00 0.00 C ATOM 552 O LYS A 62 6.240 -2.194 -3.242 1.00 0.00 O ATOM 553 CB LYS A 62 8.046 0.169 -3.504 1.00 0.00 C ATOM 554 CG LYS A 62 8.082 1.700 -3.697 1.00 0.00 C ATOM 555 CD LYS A 62 8.896 2.408 -2.605 1.00 0.00 C ATOM 556 CE LYS A 62 10.378 2.473 -2.985 1.00 0.00 C ATOM 557 NZ LYS A 62 10.710 3.741 -3.685 1.00 0.00 N ATOM 0 H LYS A 62 5.784 0.790 -4.243 1.00 0.00 H new ATOM 0 HA LYS A 62 7.980 -0.606 -5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.564 -0.055 -2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.069 -0.202 -3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.510 1.931 -4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.063 2.088 -3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.510 3.416 -2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.782 1.878 -1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.989 2.383 -2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.627 1.627 -3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.484 3.573 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.873 4.084 -4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.006 4.455 -2.989 1.00 0.00 H new ATOM 571 N ILE A 63 7.437 -3.034 -4.940 1.00 0.00 N ATOM 572 CA ILE A 63 7.071 -4.448 -4.705 1.00 0.00 C ATOM 573 C ILE A 63 8.330 -5.308 -4.550 1.00 0.00 C ATOM 574 O ILE A 63 9.236 -5.297 -5.385 1.00 0.00 O ATOM 575 CB ILE A 63 6.104 -4.996 -5.791 1.00 0.00 C ATOM 576 CG1 ILE A 63 4.781 -4.196 -5.796 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.795 -6.488 -5.545 1.00 0.00 C ATOM 578 CD1 ILE A 63 3.772 -4.604 -6.874 1.00 0.00 C ATOM 0 H ILE A 63 8.083 -2.906 -5.719 1.00 0.00 H new ATOM 0 HA ILE A 63 6.518 -4.500 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 63 6.595 -4.887 -6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.308 -4.303 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.015 -3.139 -5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.116 -6.851 -6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.721 -7.062 -5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.329 -6.607 -4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.880 -3.983 -6.791 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.218 -4.469 -7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.499 -5.651 -6.739 1.00 0.00 H new ATOM 590 N LEU A 64 8.366 -6.028 -3.429 1.00 0.00 N ATOM 591 CA LEU A 64 9.467 -6.822 -2.895 1.00 0.00 C ATOM 592 C LEU A 64 8.943 -8.228 -2.514 1.00 0.00 C ATOM 593 O LEU A 64 7.777 -8.536 -2.754 1.00 0.00 O ATOM 594 CB LEU A 64 10.036 -6.103 -1.645 1.00 0.00 C ATOM 595 CG LEU A 64 10.643 -4.690 -1.773 1.00 0.00 C ATOM 596 CD1 LEU A 64 9.709 -3.569 -2.246 1.00 0.00 C ATOM 597 CD2 LEU A 64 11.232 -4.330 -0.420 1.00 0.00 C ATOM 0 H LEU A 64 7.550 -6.073 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 64 10.255 -6.930 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.232 -6.044 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.806 -6.749 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 64 11.381 -4.753 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.261 -2.630 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.322 -3.811 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.879 -3.468 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.673 -3.334 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.445 -4.342 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.001 -5.055 -0.154 1.00 0.00 H new ATOM 609 N ASN A 65 9.807 -9.038 -1.885 1.00 0.00 N ATOM 610 CA ASN A 65 9.747 -10.462 -1.463 1.00 0.00 C ATOM 611 C ASN A 65 8.490 -10.955 -0.683 1.00 0.00 C ATOM 612 O ASN A 65 8.591 -11.686 0.304 1.00 0.00 O ATOM 613 CB ASN A 65 10.988 -10.722 -0.586 1.00 0.00 C ATOM 614 CG ASN A 65 12.269 -10.062 -1.057 1.00 0.00 C ATOM 615 OD1 ASN A 65 12.870 -10.437 -2.053 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.681 -9.008 -0.391 1.00 0.00 N ATOM 0 H ASN A 65 10.712 -8.653 -1.614 1.00 0.00 H new ATOM 0 HA ASN A 65 9.700 -11.024 -2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.774 -10.380 0.426 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.153 -11.798 -0.530 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.507 -8.497 -0.704 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.175 -8.700 0.439 1.00 0.00 H new ATOM 623 N GLY A 66 7.303 -10.531 -1.087 1.00 0.00 N ATOM 624 CA GLY A 66 6.049 -10.659 -0.359 1.00 0.00 C ATOM 625 C GLY A 66 5.627 -9.343 0.304 1.00 0.00 C ATOM 626 O GLY A 66 4.870 -9.362 1.271 1.00 0.00 O ATOM 0 H GLY A 66 7.181 -10.061 -1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.266 -10.987 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.151 -11.432 0.403 1.00 0.00 H new ATOM 630 N PHE A 67 6.119 -8.197 -0.181 1.00 0.00 N ATOM 631 CA PHE A 67 5.786 -6.874 0.359 1.00 0.00 C ATOM 632 C PHE A 67 5.437 -5.892 -0.760 1.00 0.00 C ATOM 633 O PHE A 67 6.011 -5.940 -1.841 1.00 0.00 O ATOM 634 CB PHE A 67 6.944 -6.304 1.204 1.00 0.00 C ATOM 635 CG PHE A 67 7.581 -7.250 2.201 1.00 0.00 C ATOM 636 CD1 PHE A 67 8.541 -8.193 1.782 1.00 0.00 C ATOM 637 CD2 PHE A 67 7.215 -7.188 3.563 1.00 0.00 C ATOM 638 CE1 PHE A 67 9.048 -9.132 2.698 1.00 0.00 C ATOM 639 CE2 PHE A 67 7.747 -8.108 4.482 1.00 0.00 C ATOM 640 CZ PHE A 67 8.650 -9.093 4.046 1.00 0.00 C ATOM 0 H PHE A 67 6.767 -8.162 -0.968 1.00 0.00 H new ATOM 0 HA PHE A 67 4.915 -7.002 1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.720 -5.950 0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.574 -5.434 1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.887 -8.195 0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.523 -6.430 3.900 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.746 -9.886 2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.462 -8.058 5.523 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.038 -9.819 4.745 1.00 0.00 H new ATOM 650 N ALA A 68 4.543 -4.958 -0.462 1.00 0.00 N ATOM 651 CA ALA A 68 4.162 -3.839 -1.306 1.00 0.00 C ATOM 652 C ALA A 68 4.111 -2.576 -0.444 1.00 0.00 C ATOM 653 O ALA A 68 3.524 -2.544 0.640 1.00 0.00 O ATOM 654 CB ALA A 68 2.850 -4.164 -2.018 1.00 0.00 C ATOM 0 H ALA A 68 4.038 -4.964 0.424 1.00 0.00 H new ATOM 0 HA ALA A 68 4.893 -3.656 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.563 -3.325 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.980 -5.055 -2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.070 -4.344 -1.279 1.00 0.00 H new ATOM 660 N PHE A 69 4.756 -1.535 -0.951 1.00 0.00 N ATOM 661 CA PHE A 69 4.792 -0.188 -0.408 1.00 0.00 C ATOM 662 C PHE A 69 4.254 0.679 -1.517 1.00 0.00 C ATOM 663 O PHE A 69 4.977 1.225 -2.357 1.00 0.00 O ATOM 664 CB PHE A 69 6.168 0.254 0.122 1.00 0.00 C ATOM 665 CG PHE A 69 6.969 -0.823 0.821 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.487 -1.887 0.072 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.204 -0.774 2.210 1.00 0.00 C ATOM 668 CE1 PHE A 69 8.173 -2.927 0.693 1.00 0.00 C ATOM 669 CE2 PHE A 69 7.970 -1.789 2.827 1.00 0.00 C ATOM 670 CZ PHE A 69 8.463 -2.865 2.057 1.00 0.00 C ATOM 0 H PHE A 69 5.303 -1.616 -1.808 1.00 0.00 H new ATOM 0 HA PHE A 69 4.187 -0.112 0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.755 0.636 -0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.023 1.083 0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.353 -1.901 -1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.801 0.036 2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.482 -3.786 0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.178 -1.742 3.886 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.061 -3.636 2.521 1.00 0.00 H new ATOM 680 N VAL A 70 2.930 0.663 -1.599 1.00 0.00 N ATOM 681 CA VAL A 70 2.224 1.563 -2.499 1.00 0.00 C ATOM 682 C VAL A 70 2.390 2.972 -1.956 1.00 0.00 C ATOM 683 O VAL A 70 2.788 3.179 -0.802 1.00 0.00 O ATOM 684 CB VAL A 70 0.784 1.105 -2.796 1.00 0.00 C ATOM 685 CG1 VAL A 70 0.274 1.469 -4.191 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.737 -0.401 -2.941 1.00 0.00 C ATOM 0 H VAL A 70 2.328 0.042 -1.058 1.00 0.00 H new ATOM 0 HA VAL A 70 2.659 1.548 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 70 0.217 1.562 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.747 1.107 -4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.292 2.552 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.913 1.008 -4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.286 -0.715 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.386 -0.708 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.077 -0.866 -2.016 1.00 0.00 H new ATOM 696 N GLU A 71 2.127 3.964 -2.775 1.00 0.00 N ATOM 697 CA GLU A 71 2.369 5.353 -2.439 1.00 0.00 C ATOM 698 C GLU A 71 1.464 6.231 -3.287 1.00 0.00 C ATOM 699 O GLU A 71 1.116 5.881 -4.419 1.00 0.00 O ATOM 700 CB GLU A 71 3.828 5.689 -2.768 1.00 0.00 C ATOM 701 CG GLU A 71 4.263 6.983 -2.072 1.00 0.00 C ATOM 702 CD GLU A 71 5.749 7.311 -2.244 1.00 0.00 C ATOM 703 OE1 GLU A 71 6.594 6.400 -2.127 1.00 0.00 O ATOM 704 OE2 GLU A 71 6.087 8.495 -2.466 1.00 0.00 O ATOM 0 H GLU A 71 1.734 3.830 -3.706 1.00 0.00 H new ATOM 0 HA GLU A 71 2.170 5.523 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.474 4.868 -2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.947 5.794 -3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.671 7.811 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.039 6.905 -1.008 1.00 0.00 H new ATOM 711 N PHE A 72 1.189 7.418 -2.770 1.00 0.00 N ATOM 712 CA PHE A 72 0.469 8.472 -3.464 1.00 0.00 C ATOM 713 C PHE A 72 1.236 9.791 -3.409 1.00 0.00 C ATOM 714 O PHE A 72 2.156 9.976 -2.620 1.00 0.00 O ATOM 715 CB PHE A 72 -0.909 8.612 -2.794 1.00 0.00 C ATOM 716 CG PHE A 72 -1.660 7.330 -2.468 1.00 0.00 C ATOM 717 CD1 PHE A 72 -1.964 6.402 -3.469 1.00 0.00 C ATOM 718 CD2 PHE A 72 -2.124 7.100 -1.158 1.00 0.00 C ATOM 719 CE1 PHE A 72 -2.748 5.268 -3.204 1.00 0.00 C ATOM 720 CE2 PHE A 72 -2.957 5.999 -0.899 1.00 0.00 C ATOM 721 CZ PHE A 72 -3.253 5.075 -1.905 1.00 0.00 C ATOM 0 H PHE A 72 1.470 7.682 -1.826 1.00 0.00 H new ATOM 0 HA PHE A 72 0.355 8.217 -4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.778 9.171 -1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.541 9.217 -3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.587 6.561 -4.468 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.841 7.767 -0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.960 4.554 -3.986 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.373 5.865 0.088 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.868 4.215 -1.686 1.00 0.00 H new ATOM 731 N GLU A 73 0.831 10.737 -4.255 1.00 0.00 N ATOM 732 CA GLU A 73 1.268 12.137 -4.155 1.00 0.00 C ATOM 733 C GLU A 73 0.190 12.977 -3.410 1.00 0.00 C ATOM 734 O GLU A 73 0.152 14.205 -3.489 1.00 0.00 O ATOM 735 CB GLU A 73 1.673 12.677 -5.529 1.00 0.00 C ATOM 736 CG GLU A 73 0.539 12.697 -6.567 1.00 0.00 C ATOM 737 CD GLU A 73 1.049 13.205 -7.931 1.00 0.00 C ATOM 738 OE1 GLU A 73 1.017 14.435 -8.180 1.00 0.00 O ATOM 739 OE2 GLU A 73 1.481 12.381 -8.770 1.00 0.00 O ATOM 0 H GLU A 73 0.192 10.559 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 73 2.171 12.212 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.056 13.690 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.492 12.071 -5.916 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.126 11.695 -6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.270 13.338 -6.215 1.00 0.00 H new ATOM 746 N GLU A 74 -0.714 12.286 -2.698 1.00 0.00 N ATOM 747 CA GLU A 74 -1.952 12.774 -2.084 1.00 0.00 C ATOM 748 C GLU A 74 -2.131 12.141 -0.682 1.00 0.00 C ATOM 749 O GLU A 74 -2.535 10.981 -0.562 1.00 0.00 O ATOM 750 CB GLU A 74 -3.130 12.420 -3.021 1.00 0.00 C ATOM 751 CG GLU A 74 -4.490 12.964 -2.558 1.00 0.00 C ATOM 752 CD GLU A 74 -5.647 12.501 -3.476 1.00 0.00 C ATOM 753 OE1 GLU A 74 -5.822 13.085 -4.565 1.00 0.00 O ATOM 754 OE2 GLU A 74 -6.390 11.557 -3.101 1.00 0.00 O ATOM 0 H GLU A 74 -0.584 11.289 -2.525 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.916 13.855 -1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.916 12.808 -4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.196 11.336 -3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.683 12.634 -1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.457 14.053 -2.539 1.00 0.00 H new ATOM 761 N ALA A 75 -1.852 12.897 0.384 1.00 0.00 N ATOM 762 CA ALA A 75 -2.096 12.482 1.774 1.00 0.00 C ATOM 763 C ALA A 75 -3.573 12.098 2.035 1.00 0.00 C ATOM 764 O ALA A 75 -3.868 11.207 2.829 1.00 0.00 O ATOM 765 CB ALA A 75 -1.651 13.616 2.702 1.00 0.00 C ATOM 0 H ALA A 75 -1.444 13.829 0.307 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.517 11.580 1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.824 13.327 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.589 13.813 2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.222 14.516 2.476 1.00 0.00 H new ATOM 771 N GLU A 76 -4.513 12.721 1.315 1.00 0.00 N ATOM 772 CA GLU A 76 -5.943 12.381 1.367 1.00 0.00 C ATOM 773 C GLU A 76 -6.256 11.005 0.749 1.00 0.00 C ATOM 774 O GLU A 76 -7.247 10.378 1.136 1.00 0.00 O ATOM 775 CB GLU A 76 -6.789 13.466 0.673 1.00 0.00 C ATOM 776 CG GLU A 76 -6.539 14.889 1.198 1.00 0.00 C ATOM 777 CD GLU A 76 -6.739 15.013 2.722 1.00 0.00 C ATOM 778 OE1 GLU A 76 -7.878 14.809 3.211 1.00 0.00 O ATOM 779 OE2 GLU A 76 -5.763 15.329 3.448 1.00 0.00 O ATOM 0 H GLU A 76 -4.302 13.484 0.672 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.205 12.331 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.582 13.444 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.844 13.224 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.523 15.190 0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.212 15.581 0.691 1.00 0.00 H new ATOM 786 N SER A 77 -5.409 10.484 -0.144 1.00 0.00 N ATOM 787 CA SER A 77 -5.538 9.095 -0.581 1.00 0.00 C ATOM 788 C SER A 77 -5.032 8.131 0.456 1.00 0.00 C ATOM 789 O SER A 77 -5.621 7.074 0.602 1.00 0.00 O ATOM 790 CB SER A 77 -4.834 8.783 -1.894 1.00 0.00 C ATOM 791 OG SER A 77 -5.325 7.561 -2.414 1.00 0.00 O ATOM 0 H SER A 77 -4.638 10.996 -0.572 1.00 0.00 H new ATOM 0 HA SER A 77 -6.610 8.969 -0.733 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.002 9.588 -2.609 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.758 8.717 -1.735 1.00 0.00 H new ATOM 0 HG SER A 77 -4.716 6.833 -2.169 1.00 0.00 H new ATOM 797 N ALA A 78 -3.999 8.476 1.217 1.00 0.00 N ATOM 798 CA ALA A 78 -3.647 7.660 2.370 1.00 0.00 C ATOM 799 C ALA A 78 -4.804 7.633 3.369 1.00 0.00 C ATOM 800 O ALA A 78 -5.251 6.540 3.698 1.00 0.00 O ATOM 801 CB ALA A 78 -2.313 8.120 2.931 1.00 0.00 C ATOM 0 H ALA A 78 -3.406 9.292 1.062 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.499 6.618 2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.051 7.508 3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.542 8.018 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.387 9.164 3.235 1.00 0.00 H new ATOM 807 N ALA A 79 -5.394 8.781 3.736 1.00 0.00 N ATOM 808 CA ALA A 79 -6.618 8.836 4.548 1.00 0.00 C ATOM 809 C ALA A 79 -7.729 7.902 4.018 1.00 0.00 C ATOM 810 O ALA A 79 -8.241 7.057 4.771 1.00 0.00 O ATOM 811 CB ALA A 79 -7.081 10.293 4.661 1.00 0.00 C ATOM 0 H ALA A 79 -5.034 9.700 3.477 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.389 8.461 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.989 10.341 5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.300 10.887 5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.284 10.689 3.666 1.00 0.00 H new ATOM 817 N LYS A 80 -8.067 7.982 2.718 1.00 0.00 N ATOM 818 CA LYS A 80 -9.110 7.119 2.164 1.00 0.00 C ATOM 819 C LYS A 80 -8.701 5.653 2.100 1.00 0.00 C ATOM 820 O LYS A 80 -9.478 4.800 2.504 1.00 0.00 O ATOM 821 CB LYS A 80 -9.646 7.665 0.823 1.00 0.00 C ATOM 822 CG LYS A 80 -8.985 7.173 -0.476 1.00 0.00 C ATOM 823 CD LYS A 80 -9.583 7.933 -1.678 1.00 0.00 C ATOM 824 CE LYS A 80 -8.879 9.242 -2.086 1.00 0.00 C ATOM 825 NZ LYS A 80 -7.775 9.041 -3.060 1.00 0.00 N ATOM 0 H LYS A 80 -7.640 8.623 2.049 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.945 7.144 2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.708 7.428 0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.563 8.752 0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.908 7.332 -0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.144 6.101 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.583 7.264 -2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.624 8.162 -1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.614 9.922 -2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.482 9.726 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.248 9.930 -3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.133 8.301 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.170 8.751 -3.977 1.00 0.00 H new ATOM 839 N ALA A 81 -7.474 5.358 1.679 1.00 0.00 N ATOM 840 CA ALA A 81 -6.937 4.004 1.597 1.00 0.00 C ATOM 841 C ALA A 81 -6.968 3.349 2.998 1.00 0.00 C ATOM 842 O ALA A 81 -7.377 2.194 3.139 1.00 0.00 O ATOM 843 CB ALA A 81 -5.526 4.036 0.987 1.00 0.00 C ATOM 0 H ALA A 81 -6.810 6.072 1.378 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.554 3.392 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.132 3.022 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.572 4.465 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.873 4.644 1.613 1.00 0.00 H new ATOM 849 N ILE A 82 -6.608 4.104 4.050 1.00 0.00 N ATOM 850 CA ILE A 82 -6.699 3.670 5.451 1.00 0.00 C ATOM 851 C ILE A 82 -8.136 3.269 5.780 1.00 0.00 C ATOM 852 O ILE A 82 -8.397 2.119 6.129 1.00 0.00 O ATOM 853 CB ILE A 82 -6.207 4.745 6.452 1.00 0.00 C ATOM 854 CG1 ILE A 82 -4.702 5.053 6.319 1.00 0.00 C ATOM 855 CG2 ILE A 82 -6.469 4.346 7.920 1.00 0.00 C ATOM 856 CD1 ILE A 82 -4.409 6.506 6.686 1.00 0.00 C ATOM 0 H ILE A 82 -6.239 5.049 3.947 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.036 2.811 5.559 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.784 5.633 6.194 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.132 4.388 6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.376 4.859 5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.106 5.133 8.581 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.539 4.208 8.074 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.947 3.415 8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.341 6.699 6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.962 7.168 6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.714 6.690 7.716 1.00 0.00 H new ATOM 868 N GLU A 83 -9.083 4.194 5.619 1.00 0.00 N ATOM 869 CA GLU A 83 -10.485 3.911 5.956 1.00 0.00 C ATOM 870 C GLU A 83 -11.098 2.788 5.081 1.00 0.00 C ATOM 871 O GLU A 83 -11.967 2.043 5.548 1.00 0.00 O ATOM 872 CB GLU A 83 -11.298 5.209 5.879 1.00 0.00 C ATOM 873 CG GLU A 83 -10.873 6.237 6.944 1.00 0.00 C ATOM 874 CD GLU A 83 -11.109 5.742 8.382 1.00 0.00 C ATOM 875 OE1 GLU A 83 -12.274 5.746 8.845 1.00 0.00 O ATOM 876 OE2 GLU A 83 -10.133 5.354 9.072 1.00 0.00 O ATOM 0 H GLU A 83 -8.912 5.134 5.263 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.519 3.531 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.182 5.648 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.356 4.979 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.816 6.471 6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.426 7.163 6.789 1.00 0.00 H new ATOM 883 N GLU A 84 -10.600 2.596 3.857 1.00 0.00 N ATOM 884 CA GLU A 84 -11.064 1.572 2.914 1.00 0.00 C ATOM 885 C GLU A 84 -10.585 0.168 3.292 1.00 0.00 C ATOM 886 O GLU A 84 -11.383 -0.773 3.270 1.00 0.00 O ATOM 887 CB GLU A 84 -10.538 1.861 1.496 1.00 0.00 C ATOM 888 CG GLU A 84 -11.245 3.007 0.758 1.00 0.00 C ATOM 889 CD GLU A 84 -12.535 2.545 0.049 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.536 2.235 0.743 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.563 2.500 -1.193 1.00 0.00 O ATOM 0 H GLU A 84 -9.841 3.165 3.483 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.153 1.607 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.475 2.093 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.631 0.954 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.488 3.797 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.564 3.437 0.023 1.00 0.00 H new ATOM 898 N VAL A 85 -9.306 0.007 3.664 1.00 0.00 N ATOM 899 CA VAL A 85 -8.687 -1.331 3.732 1.00 0.00 C ATOM 900 C VAL A 85 -7.521 -1.490 4.735 1.00 0.00 C ATOM 901 O VAL A 85 -6.874 -2.533 4.778 1.00 0.00 O ATOM 902 CB VAL A 85 -8.352 -1.743 2.273 1.00 0.00 C ATOM 903 CG1 VAL A 85 -7.194 -0.937 1.695 1.00 0.00 C ATOM 904 CG2 VAL A 85 -8.170 -3.250 2.070 1.00 0.00 C ATOM 0 H VAL A 85 -8.685 0.774 3.920 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.401 -2.029 4.169 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.242 -1.488 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.998 -1.262 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.452 0.122 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.303 -1.094 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.939 -3.451 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.352 -3.606 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.089 -3.768 2.344 1.00 0.00 H new ATOM 914 N HIS A 86 -7.260 -0.520 5.616 1.00 0.00 N ATOM 915 CA HIS A 86 -6.331 -0.726 6.742 1.00 0.00 C ATOM 916 C HIS A 86 -6.966 -1.600 7.835 1.00 0.00 C ATOM 917 O HIS A 86 -8.010 -1.265 8.393 1.00 0.00 O ATOM 918 CB HIS A 86 -5.916 0.612 7.359 1.00 0.00 C ATOM 919 CG HIS A 86 -4.860 0.516 8.434 1.00 0.00 C ATOM 920 ND1 HIS A 86 -3.580 1.004 8.341 1.00 0.00 N ATOM 921 CD2 HIS A 86 -5.003 0.014 9.701 1.00 0.00 C ATOM 922 CE1 HIS A 86 -2.958 0.794 9.513 1.00 0.00 C ATOM 923 NE2 HIS A 86 -3.787 0.183 10.377 1.00 0.00 N ATOM 0 H HIS A 86 -7.674 0.412 5.576 1.00 0.00 H new ATOM 0 HA HIS A 86 -5.452 -1.233 6.343 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.548 1.263 6.566 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -6.800 1.091 7.780 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -3.170 1.451 7.520 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.897 -0.434 10.108 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.938 1.076 9.730 1.00 0.00 H new ATOM 931 N GLY A 87 -6.328 -2.727 8.143 1.00 0.00 N ATOM 932 CA GLY A 87 -6.725 -3.656 9.209 1.00 0.00 C ATOM 933 C GLY A 87 -7.735 -4.693 8.718 1.00 0.00 C ATOM 934 O GLY A 87 -8.124 -5.606 9.446 1.00 0.00 O ATOM 0 H GLY A 87 -5.493 -3.032 7.644 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.841 -4.165 9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.156 -3.094 10.038 1.00 0.00 H new ATOM 938 N LYS A 88 -8.136 -4.543 7.454 1.00 0.00 N ATOM 939 CA LYS A 88 -8.948 -5.452 6.667 1.00 0.00 C ATOM 940 C LYS A 88 -8.045 -6.552 6.124 1.00 0.00 C ATOM 941 O LYS A 88 -6.929 -6.298 5.662 1.00 0.00 O ATOM 942 CB LYS A 88 -9.566 -4.637 5.526 1.00 0.00 C ATOM 943 CG LYS A 88 -10.927 -3.988 5.864 1.00 0.00 C ATOM 944 CD LYS A 88 -10.979 -3.019 7.065 1.00 0.00 C ATOM 945 CE LYS A 88 -10.697 -1.537 6.771 1.00 0.00 C ATOM 946 NZ LYS A 88 -11.836 -0.865 6.088 1.00 0.00 N ATOM 0 H LYS A 88 -7.877 -3.714 6.919 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.740 -5.913 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.866 -3.853 5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.693 -5.287 4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.270 -3.448 4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.644 -4.788 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.967 -3.093 7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.260 -3.361 7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.481 -1.019 7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.806 -1.456 6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.747 0.165 6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.827 -1.109 5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -12.731 -1.182 6.513 1.00 0.00 H new ATOM 960 N SER A 89 -8.541 -7.773 6.210 1.00 0.00 N ATOM 961 CA SER A 89 -7.819 -9.007 5.890 1.00 0.00 C ATOM 962 C SER A 89 -7.734 -9.245 4.383 1.00 0.00 C ATOM 963 O SER A 89 -8.762 -9.464 3.735 1.00 0.00 O ATOM 964 CB SER A 89 -8.484 -10.197 6.598 1.00 0.00 C ATOM 965 OG SER A 89 -9.887 -10.242 6.374 1.00 0.00 O ATOM 0 H SER A 89 -9.498 -7.947 6.517 1.00 0.00 H new ATOM 0 HA SER A 89 -6.796 -8.903 6.251 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.032 -11.125 6.247 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.291 -10.134 7.669 1.00 0.00 H new ATOM 0 HG SER A 89 -10.076 -10.024 5.437 1.00 0.00 H new ATOM 971 N PHE A 90 -6.522 -9.249 3.813 1.00 0.00 N ATOM 972 CA PHE A 90 -6.295 -9.688 2.438 1.00 0.00 C ATOM 973 C PHE A 90 -5.440 -10.964 2.389 1.00 0.00 C ATOM 974 O PHE A 90 -4.503 -11.111 3.174 1.00 0.00 O ATOM 975 CB PHE A 90 -5.635 -8.547 1.674 1.00 0.00 C ATOM 976 CG PHE A 90 -5.808 -8.706 0.181 1.00 0.00 C ATOM 977 CD1 PHE A 90 -4.879 -9.447 -0.564 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.981 -8.217 -0.414 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.136 -9.729 -1.916 1.00 0.00 C ATOM 980 CE2 PHE A 90 -7.236 -8.497 -1.772 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.323 -9.268 -2.511 1.00 0.00 C ATOM 0 H PHE A 90 -5.675 -8.948 4.295 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.248 -9.938 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.066 -7.598 1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.573 -8.512 1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.970 -9.799 -0.100 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.682 -7.632 0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.424 -10.298 -2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -8.131 -8.120 -2.243 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.535 -9.508 -3.543 1.00 0.00 H new ATOM 991 N ALA A 91 -5.747 -11.866 1.449 1.00 0.00 N ATOM 992 CA ALA A 91 -5.122 -13.177 1.204 1.00 0.00 C ATOM 993 C ALA A 91 -5.051 -14.156 2.404 1.00 0.00 C ATOM 994 O ALA A 91 -5.584 -15.266 2.325 1.00 0.00 O ATOM 995 CB ALA A 91 -3.741 -12.940 0.572 1.00 0.00 C ATOM 0 H ALA A 91 -6.500 -11.686 0.785 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.789 -13.707 0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.259 -13.899 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.859 -12.400 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.125 -12.353 1.253 1.00 0.00 H new ATOM 1001 N ASN A 92 -4.395 -13.759 3.495 1.00 0.00 N ATOM 1002 CA ASN A 92 -4.075 -14.560 4.675 1.00 0.00 C ATOM 1003 C ASN A 92 -3.876 -13.717 5.958 1.00 0.00 C ATOM 1004 O ASN A 92 -3.585 -14.301 7.007 1.00 0.00 O ATOM 1005 CB ASN A 92 -2.839 -15.441 4.349 1.00 0.00 C ATOM 1006 CG ASN A 92 -1.619 -14.686 3.830 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -1.619 -14.112 2.756 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -0.520 -14.669 4.547 1.00 0.00 N ATOM 0 H ASN A 92 -4.050 -12.803 3.583 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.930 -15.196 4.903 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.553 -15.985 5.249 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.129 -16.184 3.606 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.307 -14.183 4.201 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.493 -15.142 5.450 1.00 0.00 H new ATOM 1015 N GLN A 93 -3.980 -12.374 5.905 1.00 0.00 N ATOM 1016 CA GLN A 93 -3.772 -11.459 7.059 1.00 0.00 C ATOM 1017 C GLN A 93 -4.059 -9.980 6.710 1.00 0.00 C ATOM 1018 O GLN A 93 -4.209 -9.637 5.537 1.00 0.00 O ATOM 1019 CB GLN A 93 -2.374 -11.645 7.707 1.00 0.00 C ATOM 1020 CG GLN A 93 -1.181 -12.013 6.808 1.00 0.00 C ATOM 1021 CD GLN A 93 -0.232 -12.997 7.481 1.00 0.00 C ATOM 1022 OE1 GLN A 93 0.924 -12.704 7.753 1.00 0.00 O ATOM 1023 NE2 GLN A 93 -0.675 -14.207 7.753 1.00 0.00 N ATOM 0 H GLN A 93 -4.215 -11.879 5.045 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.510 -11.743 7.809 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.124 -10.718 8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.464 -12.420 8.469 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.550 -12.445 5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.635 -11.107 6.544 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.638 -14.460 7.530 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.056 -14.891 8.187 1.00 0.00 H new ATOM 1032 N PRO A 94 -4.208 -9.081 7.704 1.00 0.00 N ATOM 1033 CA PRO A 94 -4.502 -7.672 7.440 1.00 0.00 C ATOM 1034 C PRO A 94 -3.326 -6.805 6.961 1.00 0.00 C ATOM 1035 O PRO A 94 -2.147 -7.152 7.049 1.00 0.00 O ATOM 1036 CB PRO A 94 -5.097 -7.131 8.741 1.00 0.00 C ATOM 1037 CG PRO A 94 -4.472 -8.031 9.806 1.00 0.00 C ATOM 1038 CD PRO A 94 -4.416 -9.382 9.109 1.00 0.00 C ATOM 0 HA PRO A 94 -5.183 -7.619 6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -4.840 -6.083 8.897 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.185 -7.197 8.745 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -3.481 -7.685 10.098 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.077 -8.067 10.712 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.606 -9.995 9.504 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.340 -9.940 9.259 1.00 0.00 H new ATOM 1046 N LEU A 95 -3.720 -5.634 6.462 1.00 0.00 N ATOM 1047 CA LEU A 95 -2.940 -4.622 5.755 1.00 0.00 C ATOM 1048 C LEU A 95 -2.624 -3.396 6.623 1.00 0.00 C ATOM 1049 O LEU A 95 -3.472 -2.944 7.390 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.847 -4.224 4.569 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.733 -5.106 3.317 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -3.343 -6.541 3.521 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -4.969 -5.112 2.447 1.00 0.00 C ATOM 0 H LEU A 95 -4.693 -5.342 6.553 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.966 -5.009 5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.883 -4.238 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.617 -3.196 4.289 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.903 -4.600 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.300 -7.047 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.365 -6.588 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.081 -7.032 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.804 -5.759 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.817 -5.483 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.178 -4.098 2.105 1.00 0.00 H new ATOM 1065 N GLU A 96 -1.446 -2.794 6.420 1.00 0.00 N ATOM 1066 CA GLU A 96 -1.004 -1.561 7.104 1.00 0.00 C ATOM 1067 C GLU A 96 -0.843 -0.405 6.094 1.00 0.00 C ATOM 1068 O GLU A 96 0.182 0.268 5.945 1.00 0.00 O ATOM 1069 CB GLU A 96 0.243 -1.826 7.951 1.00 0.00 C ATOM 1070 CG GLU A 96 0.276 -0.909 9.175 1.00 0.00 C ATOM 1071 CD GLU A 96 1.673 -0.882 9.816 1.00 0.00 C ATOM 1072 OE1 GLU A 96 2.181 -1.942 10.256 1.00 0.00 O ATOM 1073 OE2 GLU A 96 2.281 0.210 9.910 1.00 0.00 O ATOM 0 H GLU A 96 -0.755 -3.154 5.762 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.774 -1.240 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.255 -2.868 8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.137 -1.667 7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.012 0.101 8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.456 -1.250 9.907 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.918 -0.207 5.341 1.00 0.00 N ATOM 1081 CA VAL A 97 -2.110 0.913 4.417 1.00 0.00 C ATOM 1082 C VAL A 97 -2.044 2.198 5.219 1.00 0.00 C ATOM 1083 O VAL A 97 -2.958 2.435 6.012 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.508 0.796 3.807 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.943 2.000 2.991 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.574 -0.412 2.872 1.00 0.00 C ATOM 0 H VAL A 97 -2.713 -0.845 5.355 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.351 0.906 3.635 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.175 0.705 4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.945 1.830 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.948 2.887 3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.249 2.149 2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.573 -0.486 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.844 -0.293 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.352 -1.319 3.434 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.974 2.994 5.102 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.788 4.041 6.120 1.00 0.00 C ATOM 1098 C VAL A 98 0.113 5.221 5.699 1.00 0.00 C ATOM 1099 O VAL A 98 0.055 5.761 4.587 1.00 0.00 O ATOM 1100 CB VAL A 98 -0.376 3.264 7.420 1.00 0.00 C ATOM 1101 CG1 VAL A 98 1.108 2.969 7.701 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -1.211 3.770 8.584 1.00 0.00 C ATOM 0 H VAL A 98 -0.267 2.945 4.368 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.705 4.604 6.293 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.625 2.221 7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.199 2.426 8.642 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.518 2.365 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.659 3.907 7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.931 3.235 9.492 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.034 4.837 8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.267 3.601 8.374 1.00 0.00 H new ATOM 1112 N TYR A 99 0.924 5.671 6.643 1.00 0.00 N ATOM 1113 CA TYR A 99 2.070 6.546 6.456 1.00 0.00 C ATOM 1114 C TYR A 99 3.287 5.624 6.645 1.00 0.00 C ATOM 1115 O TYR A 99 3.923 5.659 7.698 1.00 0.00 O ATOM 1116 CB TYR A 99 1.994 7.725 7.441 1.00 0.00 C ATOM 1117 CG TYR A 99 0.656 8.451 7.521 1.00 0.00 C ATOM 1118 CD1 TYR A 99 -0.175 8.586 6.390 1.00 0.00 C ATOM 1119 CD2 TYR A 99 0.240 8.990 8.759 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -1.415 9.245 6.493 1.00 0.00 C ATOM 1121 CE2 TYR A 99 -1.002 9.646 8.866 1.00 0.00 C ATOM 1122 CZ TYR A 99 -1.837 9.772 7.734 1.00 0.00 C ATOM 1123 OH TYR A 99 -3.042 10.398 7.831 1.00 0.00 O ATOM 0 H TYR A 99 0.791 5.419 7.622 1.00 0.00 H new ATOM 0 HA TYR A 99 2.121 7.023 5.477 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.244 7.357 8.436 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.761 8.450 7.168 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.141 8.182 5.440 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.877 8.899 9.627 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.045 9.348 5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.316 10.053 9.816 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.180 10.701 8.753 1.00 0.00 H new ATOM 1133 N SER A 100 3.491 4.677 5.715 1.00 0.00 N ATOM 1134 CA SER A 100 4.441 3.554 5.843 1.00 0.00 C ATOM 1135 C SER A 100 5.757 3.824 6.594 1.00 0.00 C ATOM 1136 O SER A 100 6.419 4.843 6.383 1.00 0.00 O ATOM 1137 CB SER A 100 4.730 2.895 4.504 1.00 0.00 C ATOM 1138 OG SER A 100 5.808 1.985 4.541 1.00 0.00 O ATOM 0 H SER A 100 2.987 4.669 4.828 1.00 0.00 H new ATOM 0 HA SER A 100 3.895 2.871 6.494 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.836 2.372 4.166 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.944 3.669 3.767 1.00 0.00 H new ATOM 0 HG SER A 100 6.042 1.718 3.628 1.00 0.00 H new