USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1150 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 113 CYS SG : rot 100:sc= -2.45! USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0.409 USER MOD Set 1.3: A 117 THR OG1 : rot 85:sc= 0.327 USER MOD Set 2.1: A 79 MET CE :methyl -130:sc= -0.0154 (180deg=-0.84) USER MOD Set 2.2: A 89 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-6.8!) USER MOD Set 3.1: A 31 HIS : no HD1:sc= -2.51 X(o=-3.5,f=-3.2) USER MOD Set 3.2: A 33 GLN : amide:sc= -1.04 K(o=-3.5,f=-5.8!) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0332 (180deg=-0.302) USER MOD Single : A 1 MET N :NH3+ -152:sc= 1.15 (180deg=-0.0253) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc=-0.00728 USER MOD Single : A 28 HIS : no HE2:sc= -0.11 K(o=-0.11,f=-1.6) USER MOD Single : A 35 SER OG : rot -43:sc= 0.587 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 3:sc= 0.62 USER MOD Single : A 45 HIS : no HD1:sc= -0.0196 K(o=-0.02,f=-0.92) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.201 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 166:sc= 0.409 USER MOD Single : A 78 THR OG1 : rot 104:sc= 1.18 USER MOD Single : A 87 THR OG1 : rot 123:sc= 0.259 USER MOD Single : A 88 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.39) USER MOD Single : A 102 HIS : no HD1:sc= 0.299 K(o=0.55,f=-1.9) USER MOD Single : A 103 CYS SG : rot -90:sc= -4.08! USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 141 TYR OH : rot -31:sc= 0.44 USER MOD Single : A 146 HIS : no HE2:sc= 0.212 K(o=0.21,f=-1.8) USER MOD Single : A 147 HIS : no HD1:sc= -0.0295 X(o=-0.03,f=-0.46) USER MOD Single : A 148 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 149 HIS : no HD1:sc= 0 X(o=0,f=-1.6e-06) USER MOD Single : A 150 HIS : no HD1:sc=-0.000668 X(o=-0.00067,f=0) USER MOD Single : A 151 HIS : no HE2:sc= 0.317 K(o=0.32,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.769 14.056 12.043 1.00 5.12 N ATOM 2 CA MET A 1 -4.389 13.551 11.830 1.00 74.33 C ATOM 3 C MET A 1 -4.057 13.431 10.326 1.00 43.15 C ATOM 4 O MET A 1 -4.954 13.258 9.494 1.00 63.12 O ATOM 5 CB MET A 1 -4.183 12.186 12.555 1.00 50.52 C ATOM 6 CG MET A 1 -5.103 11.043 12.084 1.00 30.52 C ATOM 7 SD MET A 1 -6.857 11.340 12.417 1.00 70.11 S ATOM 8 CE MET A 1 -6.901 11.365 14.213 1.00 12.43 C ATOM 0 H1 MET A 1 -5.817 14.563 12.950 1.00 5.12 H new ATOM 0 H2 MET A 1 -6.025 14.704 11.270 1.00 5.12 H new ATOM 0 H3 MET A 1 -6.433 13.256 12.058 1.00 5.12 H new ATOM 0 HA MET A 1 -3.700 14.276 12.262 1.00 74.33 H new ATOM 0 HB2 MET A 1 -3.147 11.875 12.420 1.00 50.52 H new ATOM 0 HB3 MET A 1 -4.335 12.335 13.624 1.00 50.52 H new ATOM 0 HG2 MET A 1 -4.965 10.895 11.013 1.00 30.52 H new ATOM 0 HG3 MET A 1 -4.800 10.118 12.575 1.00 30.52 H new ATOM 0 HE1 MET A 1 -7.932 11.271 14.553 1.00 12.43 H new ATOM 0 HE2 MET A 1 -6.313 10.534 14.603 1.00 12.43 H new ATOM 0 HE3 MET A 1 -6.484 12.305 14.574 1.00 12.43 H new ATOM 20 N ALA A 2 -2.753 13.511 9.993 1.00 43.21 N ATOM 21 CA ALA A 2 -2.244 13.350 8.604 1.00 22.52 C ATOM 22 C ALA A 2 -2.011 11.849 8.267 1.00 43.41 C ATOM 23 O ALA A 2 -0.982 11.472 7.687 1.00 32.33 O ATOM 24 CB ALA A 2 -0.955 14.190 8.424 1.00 0.52 C ATOM 0 H ALA A 2 -2.017 13.689 10.676 1.00 43.21 H new ATOM 0 HA ALA A 2 -2.992 13.717 7.902 1.00 22.52 H new ATOM 0 HB1 ALA A 2 -0.583 14.072 7.406 1.00 0.52 H new ATOM 0 HB2 ALA A 2 -1.177 15.241 8.609 1.00 0.52 H new ATOM 0 HB3 ALA A 2 -0.197 13.849 9.130 1.00 0.52 H new ATOM 30 N THR A 3 -3.020 11.008 8.587 1.00 54.44 N ATOM 31 CA THR A 3 -2.932 9.532 8.472 1.00 1.13 C ATOM 32 C THR A 3 -4.043 8.998 7.531 1.00 62.22 C ATOM 33 O THR A 3 -5.233 9.046 7.852 1.00 21.14 O ATOM 34 CB THR A 3 -3.031 8.838 9.878 1.00 72.40 C ATOM 35 OG1 THR A 3 -2.086 9.444 10.783 1.00 60.30 O ATOM 36 CG2 THR A 3 -2.757 7.321 9.803 1.00 42.51 C ATOM 0 H THR A 3 -3.922 11.334 8.934 1.00 54.44 H new ATOM 0 HA THR A 3 -1.958 9.289 8.047 1.00 1.13 H new ATOM 0 HB THR A 3 -4.051 8.976 10.238 1.00 72.40 H new ATOM 0 HG1 THR A 3 -2.150 9.012 11.660 1.00 60.30 H new ATOM 0 HG21 THR A 3 -2.837 6.887 10.800 1.00 42.51 H new ATOM 0 HG22 THR A 3 -3.487 6.852 9.143 1.00 42.51 H new ATOM 0 HG23 THR A 3 -1.753 7.151 9.413 1.00 42.51 H new ATOM 44 N LEU A 4 -3.613 8.501 6.364 1.00 12.33 N ATOM 45 CA LEU A 4 -4.492 8.036 5.269 1.00 41.20 C ATOM 46 C LEU A 4 -4.684 6.509 5.358 1.00 40.11 C ATOM 47 O LEU A 4 -3.761 5.758 5.081 1.00 43.31 O ATOM 48 CB LEU A 4 -3.851 8.402 3.897 1.00 2.15 C ATOM 49 CG LEU A 4 -3.863 9.905 3.469 1.00 43.24 C ATOM 50 CD1 LEU A 4 -3.178 10.843 4.485 1.00 45.44 C ATOM 51 CD2 LEU A 4 -3.212 10.049 2.089 1.00 35.35 C ATOM 0 H LEU A 4 -2.621 8.406 6.144 1.00 12.33 H new ATOM 0 HA LEU A 4 -5.463 8.522 5.360 1.00 41.20 H new ATOM 0 HB2 LEU A 4 -2.814 8.065 3.910 1.00 2.15 H new ATOM 0 HB3 LEU A 4 -4.363 7.829 3.124 1.00 2.15 H new ATOM 0 HG LEU A 4 -4.907 10.215 3.431 1.00 43.24 H new ATOM 0 HD11 LEU A 4 -3.225 11.870 4.121 1.00 45.44 H new ATOM 0 HD12 LEU A 4 -3.689 10.775 5.445 1.00 45.44 H new ATOM 0 HD13 LEU A 4 -2.136 10.548 4.607 1.00 45.44 H new ATOM 0 HD21 LEU A 4 -3.220 11.097 1.790 1.00 35.35 H new ATOM 0 HD22 LEU A 4 -2.183 9.692 2.133 1.00 35.35 H new ATOM 0 HD23 LEU A 4 -3.769 9.460 1.361 1.00 35.35 H new ATOM 63 N ARG A 5 -5.887 6.061 5.725 1.00 1.34 N ATOM 64 CA ARG A 5 -6.179 4.625 5.942 1.00 40.11 C ATOM 65 C ARG A 5 -7.386 4.171 5.088 1.00 41.24 C ATOM 66 O ARG A 5 -8.471 4.752 5.166 1.00 50.15 O ATOM 67 CB ARG A 5 -6.431 4.369 7.449 1.00 52.12 C ATOM 68 CG ARG A 5 -6.750 2.901 7.817 1.00 61.45 C ATOM 69 CD ARG A 5 -6.927 2.706 9.335 1.00 62.12 C ATOM 70 NE ARG A 5 -7.368 1.341 9.684 1.00 20.13 N ATOM 71 CZ ARG A 5 -7.769 0.958 10.877 1.00 10.41 C ATOM 72 NH1 ARG A 5 -7.839 1.794 11.873 1.00 54.33 N ATOM 73 NH2 ARG A 5 -8.122 -0.267 11.072 1.00 63.32 N ATOM 0 H ARG A 5 -6.688 6.672 5.882 1.00 1.34 H new ATOM 0 HA ARG A 5 -5.318 4.036 5.626 1.00 40.11 H new ATOM 0 HB2 ARG A 5 -5.550 4.685 8.008 1.00 52.12 H new ATOM 0 HB3 ARG A 5 -7.259 4.998 7.776 1.00 52.12 H new ATOM 0 HG2 ARG A 5 -7.660 2.589 7.304 1.00 61.45 H new ATOM 0 HG3 ARG A 5 -5.946 2.256 7.461 1.00 61.45 H new ATOM 0 HD2 ARG A 5 -5.983 2.919 9.837 1.00 62.12 H new ATOM 0 HD3 ARG A 5 -7.656 3.426 9.708 1.00 62.12 H new ATOM 0 HE ARG A 5 -7.361 0.640 8.943 1.00 20.13 H new ATOM 0 HH11 ARG A 5 -7.580 2.771 11.738 1.00 54.33 H new ATOM 0 HH12 ARG A 5 -8.153 1.472 12.788 1.00 54.33 H new ATOM 0 HH21 ARG A 5 -8.090 -0.936 10.302 1.00 63.32 H new ATOM 0 HH22 ARG A 5 -8.433 -0.567 11.996 1.00 63.32 H new ATOM 87 N ARG A 6 -7.171 3.138 4.256 1.00 52.21 N ATOM 88 CA ARG A 6 -8.215 2.519 3.404 1.00 73.15 C ATOM 89 C ARG A 6 -8.313 1.020 3.748 1.00 33.53 C ATOM 90 O ARG A 6 -7.380 0.448 4.316 1.00 72.32 O ATOM 91 CB ARG A 6 -7.887 2.677 1.887 1.00 22.41 C ATOM 92 CG ARG A 6 -7.654 4.124 1.395 1.00 74.53 C ATOM 93 CD ARG A 6 -8.859 5.083 1.623 1.00 32.25 C ATOM 94 NE ARG A 6 -8.506 6.181 2.543 1.00 74.22 N ATOM 95 CZ ARG A 6 -8.717 7.459 2.333 1.00 30.14 C ATOM 96 NH1 ARG A 6 -9.380 7.882 1.307 1.00 64.02 N ATOM 97 NH2 ARG A 6 -8.270 8.319 3.174 1.00 72.35 N ATOM 0 H ARG A 6 -6.256 2.699 4.151 1.00 52.21 H new ATOM 0 HA ARG A 6 -9.161 3.024 3.598 1.00 73.15 H new ATOM 0 HB2 ARG A 6 -6.996 2.090 1.664 1.00 22.41 H new ATOM 0 HB3 ARG A 6 -8.705 2.245 1.311 1.00 22.41 H new ATOM 0 HG2 ARG A 6 -6.780 4.531 1.903 1.00 74.53 H new ATOM 0 HG3 ARG A 6 -7.421 4.100 0.330 1.00 74.53 H new ATOM 0 HD2 ARG A 6 -9.183 5.496 0.668 1.00 32.25 H new ATOM 0 HD3 ARG A 6 -9.701 4.522 2.029 1.00 32.25 H new ATOM 0 HE ARG A 6 -8.057 5.923 3.422 1.00 74.22 H new ATOM 0 HH11 ARG A 6 -9.756 7.215 0.633 1.00 64.02 H new ATOM 0 HH12 ARG A 6 -9.527 8.882 1.172 1.00 64.02 H new ATOM 0 HH21 ARG A 6 -7.755 8.007 3.998 1.00 72.35 H new ATOM 0 HH22 ARG A 6 -8.429 9.314 3.019 1.00 72.35 H new ATOM 111 N SER A 7 -9.440 0.395 3.392 1.00 32.44 N ATOM 112 CA SER A 7 -9.676 -1.051 3.632 1.00 23.25 C ATOM 113 C SER A 7 -10.666 -1.634 2.603 1.00 70.25 C ATOM 114 O SER A 7 -11.590 -0.947 2.155 1.00 5.31 O ATOM 115 CB SER A 7 -10.192 -1.275 5.073 1.00 0.42 C ATOM 116 OG SER A 7 -11.373 -0.533 5.347 1.00 44.11 O ATOM 0 H SER A 7 -10.218 0.866 2.930 1.00 32.44 H new ATOM 0 HA SER A 7 -8.728 -1.575 3.513 1.00 23.25 H new ATOM 0 HB2 SER A 7 -10.390 -2.336 5.224 1.00 0.42 H new ATOM 0 HB3 SER A 7 -9.415 -0.991 5.783 1.00 0.42 H new ATOM 0 HG SER A 7 -11.663 -0.707 6.267 1.00 44.11 H new ATOM 122 N VAL A 8 -10.470 -2.917 2.237 1.00 72.42 N ATOM 123 CA VAL A 8 -11.278 -3.596 1.193 1.00 34.03 C ATOM 124 C VAL A 8 -11.630 -5.046 1.608 1.00 15.12 C ATOM 125 O VAL A 8 -10.837 -5.713 2.272 1.00 13.52 O ATOM 126 CB VAL A 8 -10.499 -3.595 -0.179 1.00 44.42 C ATOM 127 CG1 VAL A 8 -9.197 -4.438 -0.086 1.00 14.42 C ATOM 128 CG2 VAL A 8 -11.399 -4.054 -1.355 1.00 53.41 C ATOM 0 H VAL A 8 -9.753 -3.512 2.651 1.00 72.42 H new ATOM 0 HA VAL A 8 -12.211 -3.045 1.076 1.00 34.03 H new ATOM 0 HB VAL A 8 -10.209 -2.565 -0.389 1.00 44.42 H new ATOM 0 HG11 VAL A 8 -8.682 -4.419 -1.046 1.00 14.42 H new ATOM 0 HG12 VAL A 8 -8.547 -4.020 0.683 1.00 14.42 H new ATOM 0 HG13 VAL A 8 -9.448 -5.467 0.171 1.00 14.42 H new ATOM 0 HG21 VAL A 8 -10.824 -4.039 -2.281 1.00 53.41 H new ATOM 0 HG22 VAL A 8 -11.756 -5.066 -1.166 1.00 53.41 H new ATOM 0 HG23 VAL A 8 -12.251 -3.380 -1.446 1.00 53.41 H new ATOM 138 N GLU A 9 -12.828 -5.519 1.216 1.00 11.04 N ATOM 139 CA GLU A 9 -13.278 -6.906 1.462 1.00 71.40 C ATOM 140 C GLU A 9 -12.975 -7.801 0.229 1.00 31.03 C ATOM 141 O GLU A 9 -13.577 -7.647 -0.839 1.00 32.03 O ATOM 142 CB GLU A 9 -14.787 -6.906 1.816 1.00 31.14 C ATOM 143 CG GLU A 9 -15.115 -6.153 3.127 1.00 21.51 C ATOM 144 CD GLU A 9 -16.612 -6.136 3.470 1.00 55.34 C ATOM 145 OE1 GLU A 9 -17.150 -7.176 3.918 1.00 71.11 O ATOM 146 OE2 GLU A 9 -17.266 -5.083 3.305 1.00 12.24 O ATOM 0 H GLU A 9 -13.514 -4.951 0.719 1.00 11.04 H new ATOM 0 HA GLU A 9 -12.730 -7.324 2.307 1.00 71.40 H new ATOM 0 HB2 GLU A 9 -15.344 -6.452 0.997 1.00 31.14 H new ATOM 0 HB3 GLU A 9 -15.131 -7.937 1.903 1.00 31.14 H new ATOM 0 HG2 GLU A 9 -14.568 -6.616 3.948 1.00 21.51 H new ATOM 0 HG3 GLU A 9 -14.758 -5.126 3.045 1.00 21.51 H new ATOM 153 N VAL A 10 -12.019 -8.725 0.409 1.00 73.15 N ATOM 154 CA VAL A 10 -11.464 -9.581 -0.666 1.00 72.22 C ATOM 155 C VAL A 10 -12.066 -11.005 -0.627 1.00 20.44 C ATOM 156 O VAL A 10 -12.245 -11.569 0.445 1.00 65.23 O ATOM 157 CB VAL A 10 -9.908 -9.657 -0.496 1.00 40.03 C ATOM 158 CG1 VAL A 10 -9.241 -10.539 -1.574 1.00 72.34 C ATOM 159 CG2 VAL A 10 -9.304 -8.232 -0.473 1.00 21.31 C ATOM 0 H VAL A 10 -11.598 -8.906 1.320 1.00 73.15 H new ATOM 0 HA VAL A 10 -11.721 -9.142 -1.630 1.00 72.22 H new ATOM 0 HB VAL A 10 -9.702 -10.138 0.460 1.00 40.03 H new ATOM 0 HG11 VAL A 10 -8.163 -10.559 -1.412 1.00 72.34 H new ATOM 0 HG12 VAL A 10 -9.636 -11.553 -1.510 1.00 72.34 H new ATOM 0 HG13 VAL A 10 -9.452 -10.129 -2.562 1.00 72.34 H new ATOM 0 HG21 VAL A 10 -8.222 -8.297 -0.354 1.00 21.31 H new ATOM 0 HG22 VAL A 10 -9.537 -7.723 -1.408 1.00 21.31 H new ATOM 0 HG23 VAL A 10 -9.727 -7.671 0.360 1.00 21.31 H new ATOM 169 N ALA A 11 -12.362 -11.583 -1.809 1.00 12.53 N ATOM 170 CA ALA A 11 -12.880 -12.972 -1.948 1.00 20.01 C ATOM 171 C ALA A 11 -11.764 -14.070 -1.897 1.00 52.21 C ATOM 172 O ALA A 11 -11.843 -15.085 -2.608 1.00 40.12 O ATOM 173 CB ALA A 11 -13.675 -13.049 -3.265 1.00 2.14 C ATOM 0 H ALA A 11 -12.250 -11.103 -2.702 1.00 12.53 H new ATOM 0 HA ALA A 11 -13.519 -13.186 -1.091 1.00 20.01 H new ATOM 0 HB1 ALA A 11 -14.068 -14.057 -3.394 1.00 2.14 H new ATOM 0 HB2 ALA A 11 -14.501 -12.339 -3.233 1.00 2.14 H new ATOM 0 HB3 ALA A 11 -13.019 -12.805 -4.101 1.00 2.14 H new ATOM 179 N ALA A 12 -10.775 -13.905 -0.993 1.00 3.24 N ATOM 180 CA ALA A 12 -9.626 -14.839 -0.864 1.00 24.13 C ATOM 181 C ALA A 12 -9.055 -14.851 0.585 1.00 21.25 C ATOM 182 O ALA A 12 -9.220 -13.867 1.317 1.00 34.15 O ATOM 183 CB ALA A 12 -8.530 -14.458 -1.877 1.00 15.15 C ATOM 0 H ALA A 12 -10.746 -13.127 -0.334 1.00 3.24 H new ATOM 0 HA ALA A 12 -9.980 -15.847 -1.080 1.00 24.13 H new ATOM 0 HB1 ALA A 12 -7.689 -15.145 -1.779 1.00 15.15 H new ATOM 0 HB2 ALA A 12 -8.932 -14.518 -2.888 1.00 15.15 H new ATOM 0 HB3 ALA A 12 -8.192 -13.441 -1.681 1.00 15.15 H new ATOM 189 N PRO A 13 -8.387 -15.979 1.028 1.00 24.34 N ATOM 190 CA PRO A 13 -7.705 -16.052 2.357 1.00 25.04 C ATOM 191 C PRO A 13 -6.481 -15.095 2.474 1.00 22.23 C ATOM 192 O PRO A 13 -5.751 -14.873 1.496 1.00 44.21 O ATOM 193 CB PRO A 13 -7.265 -17.542 2.452 1.00 74.33 C ATOM 194 CG PRO A 13 -7.149 -17.986 1.023 1.00 53.52 C ATOM 195 CD PRO A 13 -8.268 -17.277 0.290 1.00 13.24 C ATOM 0 HA PRO A 13 -8.363 -15.736 3.166 1.00 25.04 H new ATOM 0 HB2 PRO A 13 -6.316 -17.644 2.978 1.00 74.33 H new ATOM 0 HB3 PRO A 13 -7.997 -18.139 2.996 1.00 74.33 H new ATOM 0 HG2 PRO A 13 -6.177 -17.721 0.607 1.00 53.52 H new ATOM 0 HG3 PRO A 13 -7.248 -19.068 0.939 1.00 53.52 H new ATOM 0 HD2 PRO A 13 -8.027 -17.122 -0.762 1.00 13.24 H new ATOM 0 HD3 PRO A 13 -9.197 -17.847 0.324 1.00 13.24 H new ATOM 203 N ALA A 14 -6.284 -14.556 3.697 1.00 72.32 N ATOM 204 CA ALA A 14 -5.229 -13.564 4.041 1.00 54.40 C ATOM 205 C ALA A 14 -3.798 -13.965 3.609 1.00 40.51 C ATOM 206 O ALA A 14 -2.995 -13.102 3.265 1.00 64.14 O ATOM 207 CB ALA A 14 -5.266 -13.285 5.560 1.00 62.42 C ATOM 0 H ALA A 14 -6.867 -14.802 4.497 1.00 72.32 H new ATOM 0 HA ALA A 14 -5.461 -12.665 3.470 1.00 54.40 H new ATOM 0 HB1 ALA A 14 -4.494 -12.559 5.815 1.00 62.42 H new ATOM 0 HB2 ALA A 14 -6.243 -12.887 5.833 1.00 62.42 H new ATOM 0 HB3 ALA A 14 -5.086 -14.212 6.105 1.00 62.42 H new ATOM 213 N ALA A 15 -3.482 -15.268 3.673 1.00 43.30 N ATOM 214 CA ALA A 15 -2.153 -15.799 3.280 1.00 21.45 C ATOM 215 C ALA A 15 -1.858 -15.608 1.770 1.00 24.43 C ATOM 216 O ALA A 15 -0.782 -15.117 1.395 1.00 72.42 O ATOM 217 CB ALA A 15 -2.050 -17.283 3.666 1.00 53.20 C ATOM 0 H ALA A 15 -4.132 -15.985 3.996 1.00 43.30 H new ATOM 0 HA ALA A 15 -1.399 -15.227 3.821 1.00 21.45 H new ATOM 0 HB1 ALA A 15 -1.072 -17.668 3.375 1.00 53.20 H new ATOM 0 HB2 ALA A 15 -2.175 -17.388 4.744 1.00 53.20 H new ATOM 0 HB3 ALA A 15 -2.829 -17.847 3.153 1.00 53.20 H new ATOM 223 N ASP A 16 -2.806 -16.048 0.918 1.00 15.25 N ATOM 224 CA ASP A 16 -2.709 -15.900 -0.554 1.00 10.31 C ATOM 225 C ASP A 16 -2.582 -14.407 -0.960 1.00 62.10 C ATOM 226 O ASP A 16 -1.737 -14.039 -1.788 1.00 35.44 O ATOM 227 CB ASP A 16 -3.955 -16.540 -1.220 1.00 61.43 C ATOM 228 CG ASP A 16 -3.829 -16.654 -2.750 1.00 24.31 C ATOM 229 OD1 ASP A 16 -4.195 -15.707 -3.474 1.00 5.11 O ATOM 230 OD2 ASP A 16 -3.344 -17.694 -3.242 1.00 63.45 O ATOM 0 H ASP A 16 -3.659 -16.515 1.227 1.00 15.25 H new ATOM 0 HA ASP A 16 -1.811 -16.413 -0.899 1.00 10.31 H new ATOM 0 HB2 ASP A 16 -4.115 -17.533 -0.799 1.00 61.43 H new ATOM 0 HB3 ASP A 16 -4.836 -15.945 -0.977 1.00 61.43 H new ATOM 235 N VAL A 17 -3.414 -13.561 -0.337 1.00 61.40 N ATOM 236 CA VAL A 17 -3.452 -12.107 -0.602 1.00 34.12 C ATOM 237 C VAL A 17 -2.159 -11.413 -0.095 1.00 44.23 C ATOM 238 O VAL A 17 -1.694 -10.431 -0.693 1.00 31.43 O ATOM 239 CB VAL A 17 -4.724 -11.452 0.039 1.00 41.24 C ATOM 240 CG1 VAL A 17 -4.809 -9.941 -0.283 1.00 13.01 C ATOM 241 CG2 VAL A 17 -6.007 -12.190 -0.419 1.00 62.25 C ATOM 0 H VAL A 17 -4.085 -13.863 0.369 1.00 61.40 H new ATOM 0 HA VAL A 17 -3.508 -11.967 -1.682 1.00 34.12 H new ATOM 0 HB VAL A 17 -4.639 -11.550 1.121 1.00 41.24 H new ATOM 0 HG11 VAL A 17 -5.703 -9.521 0.177 1.00 13.01 H new ATOM 0 HG12 VAL A 17 -3.927 -9.435 0.109 1.00 13.01 H new ATOM 0 HG13 VAL A 17 -4.857 -9.801 -1.363 1.00 13.01 H new ATOM 0 HG21 VAL A 17 -6.879 -11.721 0.037 1.00 62.25 H new ATOM 0 HG22 VAL A 17 -6.091 -12.135 -1.504 1.00 62.25 H new ATOM 0 HG23 VAL A 17 -5.955 -13.235 -0.112 1.00 62.25 H new ATOM 251 N TRP A 18 -1.597 -11.923 1.024 1.00 33.34 N ATOM 252 CA TRP A 18 -0.298 -11.441 1.553 1.00 42.53 C ATOM 253 C TRP A 18 0.835 -11.631 0.515 1.00 63.42 C ATOM 254 O TRP A 18 1.675 -10.750 0.348 1.00 54.21 O ATOM 255 CB TRP A 18 0.090 -12.120 2.907 1.00 44.44 C ATOM 256 CG TRP A 18 1.460 -11.681 3.418 1.00 21.34 C ATOM 257 CD1 TRP A 18 2.553 -12.467 3.681 1.00 64.25 C ATOM 258 CD2 TRP A 18 1.885 -10.330 3.652 1.00 11.33 C ATOM 259 NE1 TRP A 18 3.612 -11.683 4.069 1.00 72.13 N ATOM 260 CE2 TRP A 18 3.224 -10.371 4.054 1.00 53.21 C ATOM 261 CE3 TRP A 18 1.250 -9.092 3.560 1.00 24.20 C ATOM 262 CZ2 TRP A 18 3.942 -9.220 4.358 1.00 33.32 C ATOM 263 CZ3 TRP A 18 1.960 -7.948 3.859 1.00 41.31 C ATOM 264 CH2 TRP A 18 3.299 -8.024 4.252 1.00 43.25 C ATOM 0 H TRP A 18 -2.021 -12.667 1.578 1.00 33.34 H new ATOM 0 HA TRP A 18 -0.424 -10.376 1.748 1.00 42.53 H new ATOM 0 HB2 TRP A 18 -0.665 -11.883 3.656 1.00 44.44 H new ATOM 0 HB3 TRP A 18 0.084 -13.203 2.780 1.00 44.44 H new ATOM 0 HD1 TRP A 18 2.577 -13.543 3.596 1.00 64.25 H new ATOM 0 HE1 TRP A 18 4.538 -12.024 4.327 1.00 72.13 H new ATOM 0 HE3 TRP A 18 0.215 -9.030 3.258 1.00 24.20 H new ATOM 0 HZ2 TRP A 18 4.975 -9.272 4.668 1.00 33.32 H new ATOM 0 HZ3 TRP A 18 1.477 -6.985 3.789 1.00 41.31 H new ATOM 0 HH2 TRP A 18 3.836 -7.114 4.477 1.00 43.25 H new ATOM 275 N THR A 19 0.834 -12.779 -0.183 1.00 4.20 N ATOM 276 CA THR A 19 1.813 -13.064 -1.268 1.00 2.41 C ATOM 277 C THR A 19 1.693 -12.039 -2.429 1.00 25.31 C ATOM 278 O THR A 19 2.652 -11.794 -3.158 1.00 75.15 O ATOM 279 CB THR A 19 1.627 -14.520 -1.816 1.00 52.05 C ATOM 280 OG1 THR A 19 1.600 -15.450 -0.722 1.00 45.01 O ATOM 281 CG2 THR A 19 2.752 -14.940 -2.784 1.00 64.44 C ATOM 0 H THR A 19 0.167 -13.533 -0.021 1.00 4.20 H new ATOM 0 HA THR A 19 2.810 -12.973 -0.837 1.00 2.41 H new ATOM 0 HB THR A 19 0.686 -14.531 -2.365 1.00 52.05 H new ATOM 0 HG1 THR A 19 1.482 -16.359 -1.068 1.00 45.01 H new ATOM 0 HG21 THR A 19 2.572 -15.957 -3.132 1.00 64.44 H new ATOM 0 HG22 THR A 19 2.770 -14.262 -3.637 1.00 64.44 H new ATOM 0 HG23 THR A 19 3.711 -14.898 -2.267 1.00 64.44 H new ATOM 289 N LEU A 20 0.502 -11.433 -2.575 1.00 13.35 N ATOM 290 CA LEU A 20 0.217 -10.450 -3.645 1.00 31.14 C ATOM 291 C LEU A 20 0.685 -9.000 -3.276 1.00 70.30 C ATOM 292 O LEU A 20 1.266 -8.303 -4.115 1.00 41.25 O ATOM 293 CB LEU A 20 -1.301 -10.494 -3.970 1.00 21.02 C ATOM 294 CG LEU A 20 -1.781 -9.633 -5.178 1.00 10.43 C ATOM 295 CD1 LEU A 20 -0.999 -9.962 -6.462 1.00 63.15 C ATOM 296 CD2 LEU A 20 -3.295 -9.790 -5.408 1.00 44.34 C ATOM 0 H LEU A 20 -0.291 -11.608 -1.958 1.00 13.35 H new ATOM 0 HA LEU A 20 0.792 -10.725 -4.529 1.00 31.14 H new ATOM 0 HB2 LEU A 20 -1.579 -11.531 -4.159 1.00 21.02 H new ATOM 0 HB3 LEU A 20 -1.849 -10.173 -3.084 1.00 21.02 H new ATOM 0 HG LEU A 20 -1.580 -8.591 -4.927 1.00 10.43 H new ATOM 0 HD11 LEU A 20 -1.364 -9.341 -7.280 1.00 63.15 H new ATOM 0 HD12 LEU A 20 0.061 -9.766 -6.303 1.00 63.15 H new ATOM 0 HD13 LEU A 20 -1.140 -11.013 -6.714 1.00 63.15 H new ATOM 0 HD21 LEU A 20 -3.600 -9.178 -6.257 1.00 44.34 H new ATOM 0 HD22 LEU A 20 -3.525 -10.835 -5.614 1.00 44.34 H new ATOM 0 HD23 LEU A 20 -3.834 -9.468 -4.517 1.00 44.34 H new ATOM 308 N VAL A 21 0.409 -8.555 -2.032 1.00 75.54 N ATOM 309 CA VAL A 21 0.785 -7.179 -1.553 1.00 22.20 C ATOM 310 C VAL A 21 2.207 -7.091 -0.925 1.00 75.44 C ATOM 311 O VAL A 21 2.825 -6.019 -0.935 1.00 52.53 O ATOM 312 CB VAL A 21 -0.249 -6.628 -0.494 1.00 51.13 C ATOM 313 CG1 VAL A 21 -1.646 -6.427 -1.113 1.00 30.23 C ATOM 314 CG2 VAL A 21 -0.327 -7.539 0.754 1.00 45.33 C ATOM 0 H VAL A 21 -0.072 -9.118 -1.330 1.00 75.54 H new ATOM 0 HA VAL A 21 0.775 -6.570 -2.457 1.00 22.20 H new ATOM 0 HB VAL A 21 0.116 -5.652 -0.173 1.00 51.13 H new ATOM 0 HG11 VAL A 21 -2.329 -6.047 -0.353 1.00 30.23 H new ATOM 0 HG12 VAL A 21 -1.581 -5.712 -1.933 1.00 30.23 H new ATOM 0 HG13 VAL A 21 -2.017 -7.380 -1.491 1.00 30.23 H new ATOM 0 HG21 VAL A 21 -1.048 -7.128 1.460 1.00 45.33 H new ATOM 0 HG22 VAL A 21 -0.641 -8.539 0.455 1.00 45.33 H new ATOM 0 HG23 VAL A 21 0.654 -7.593 1.227 1.00 45.33 H new ATOM 324 N GLY A 22 2.705 -8.216 -0.383 1.00 43.14 N ATOM 325 CA GLY A 22 3.888 -8.229 0.513 1.00 1.53 C ATOM 326 C GLY A 22 5.257 -8.293 -0.184 1.00 20.05 C ATOM 327 O GLY A 22 6.195 -8.931 0.327 1.00 23.31 O ATOM 0 H GLY A 22 2.306 -9.140 -0.549 1.00 43.14 H new ATOM 0 HA2 GLY A 22 3.859 -7.333 1.134 1.00 1.53 H new ATOM 0 HA3 GLY A 22 3.803 -9.084 1.183 1.00 1.53 H new ATOM 331 N ASP A 23 5.372 -7.637 -1.342 1.00 21.11 N ATOM 332 CA ASP A 23 6.640 -7.505 -2.090 1.00 53.33 C ATOM 333 C ASP A 23 7.073 -6.020 -2.200 1.00 14.41 C ATOM 334 O ASP A 23 6.595 -5.159 -1.451 1.00 24.54 O ATOM 335 CB ASP A 23 6.457 -8.131 -3.496 1.00 44.44 C ATOM 336 CG ASP A 23 5.314 -7.485 -4.295 1.00 24.11 C ATOM 337 OD1 ASP A 23 5.515 -6.371 -4.834 1.00 23.23 O ATOM 338 OD2 ASP A 23 4.221 -8.081 -4.389 1.00 21.42 O ATOM 0 H ASP A 23 4.584 -7.176 -1.797 1.00 21.11 H new ATOM 0 HA ASP A 23 7.430 -8.032 -1.555 1.00 53.33 H new ATOM 0 HB2 ASP A 23 7.387 -8.031 -4.056 1.00 44.44 H new ATOM 0 HB3 ASP A 23 6.262 -9.198 -3.390 1.00 44.44 H new ATOM 343 N PHE A 24 7.983 -5.743 -3.156 1.00 51.43 N ATOM 344 CA PHE A 24 8.401 -4.376 -3.501 1.00 25.32 C ATOM 345 C PHE A 24 8.737 -4.283 -5.023 1.00 4.23 C ATOM 346 O PHE A 24 9.481 -3.400 -5.448 1.00 23.23 O ATOM 347 CB PHE A 24 9.614 -3.960 -2.595 1.00 34.53 C ATOM 348 CG PHE A 24 9.587 -2.513 -2.142 1.00 1.13 C ATOM 349 CD1 PHE A 24 8.503 -2.033 -1.408 1.00 34.44 C ATOM 350 CD2 PHE A 24 10.628 -1.640 -2.436 1.00 0.42 C ATOM 351 CE1 PHE A 24 8.461 -0.723 -0.994 1.00 24.24 C ATOM 352 CE2 PHE A 24 10.584 -0.331 -2.018 1.00 41.45 C ATOM 353 CZ PHE A 24 9.499 0.128 -1.297 1.00 4.23 C ATOM 0 H PHE A 24 8.447 -6.464 -3.709 1.00 51.43 H new ATOM 0 HA PHE A 24 7.587 -3.676 -3.312 1.00 25.32 H new ATOM 0 HB2 PHE A 24 9.633 -4.604 -1.715 1.00 34.53 H new ATOM 0 HB3 PHE A 24 10.540 -4.140 -3.142 1.00 34.53 H new ATOM 0 HD1 PHE A 24 7.688 -2.697 -1.162 1.00 34.44 H new ATOM 0 HD2 PHE A 24 11.480 -1.993 -2.998 1.00 0.42 H new ATOM 0 HE1 PHE A 24 7.613 -0.362 -0.431 1.00 24.24 H new ATOM 0 HE2 PHE A 24 11.398 0.339 -2.253 1.00 41.45 H new ATOM 0 HZ PHE A 24 9.465 1.157 -0.970 1.00 4.23 H new ATOM 363 N SER A 25 8.134 -5.183 -5.841 1.00 20.11 N ATOM 364 CA SER A 25 8.374 -5.248 -7.320 1.00 53.32 C ATOM 365 C SER A 25 7.150 -5.816 -8.075 1.00 12.13 C ATOM 366 O SER A 25 6.729 -5.276 -9.110 1.00 41.33 O ATOM 367 CB SER A 25 9.606 -6.131 -7.633 1.00 30.21 C ATOM 368 OG SER A 25 9.401 -7.484 -7.239 1.00 74.11 O ATOM 0 H SER A 25 7.472 -5.882 -5.505 1.00 20.11 H new ATOM 0 HA SER A 25 8.552 -4.227 -7.657 1.00 53.32 H new ATOM 0 HB2 SER A 25 9.819 -6.092 -8.701 1.00 30.21 H new ATOM 0 HB3 SER A 25 10.480 -5.731 -7.119 1.00 30.21 H new ATOM 0 HG SER A 25 10.198 -8.012 -7.454 1.00 74.11 H new ATOM 374 N ALA A 26 6.550 -6.884 -7.511 1.00 61.23 N ATOM 375 CA ALA A 26 5.494 -7.693 -8.170 1.00 23.24 C ATOM 376 C ALA A 26 4.090 -7.097 -7.912 1.00 43.15 C ATOM 377 O ALA A 26 3.077 -7.646 -8.336 1.00 13.14 O ATOM 378 CB ALA A 26 5.577 -9.150 -7.671 1.00 5.05 C ATOM 0 H ALA A 26 6.785 -7.216 -6.575 1.00 61.23 H new ATOM 0 HA ALA A 26 5.658 -7.676 -9.247 1.00 23.24 H new ATOM 0 HB1 ALA A 26 4.802 -9.745 -8.154 1.00 5.05 H new ATOM 0 HB2 ALA A 26 6.556 -9.563 -7.915 1.00 5.05 H new ATOM 0 HB3 ALA A 26 5.432 -9.174 -6.591 1.00 5.05 H new ATOM 384 N ILE A 27 4.076 -5.956 -7.219 1.00 63.14 N ATOM 385 CA ILE A 27 2.882 -5.161 -6.892 1.00 55.31 C ATOM 386 C ILE A 27 2.053 -4.748 -8.156 1.00 45.11 C ATOM 387 O ILE A 27 0.859 -4.476 -8.058 1.00 33.53 O ATOM 388 CB ILE A 27 3.333 -3.919 -6.014 1.00 63.14 C ATOM 389 CG1 ILE A 27 2.133 -2.997 -5.662 1.00 4.21 C ATOM 390 CG2 ILE A 27 4.476 -3.129 -6.696 1.00 4.33 C ATOM 391 CD1 ILE A 27 2.414 -1.903 -4.642 1.00 72.21 C ATOM 0 H ILE A 27 4.932 -5.540 -6.853 1.00 63.14 H new ATOM 0 HA ILE A 27 2.193 -5.776 -6.314 1.00 55.31 H new ATOM 0 HB ILE A 27 3.722 -4.312 -5.075 1.00 63.14 H new ATOM 0 HG12 ILE A 27 1.778 -2.529 -6.580 1.00 4.21 H new ATOM 0 HG13 ILE A 27 1.320 -3.618 -5.286 1.00 4.21 H new ATOM 0 HG21 ILE A 27 4.760 -2.285 -6.068 1.00 4.33 H new ATOM 0 HG22 ILE A 27 5.337 -3.783 -6.837 1.00 4.33 H new ATOM 0 HG23 ILE A 27 4.137 -2.762 -7.665 1.00 4.33 H new ATOM 0 HD11 ILE A 27 1.508 -1.322 -4.473 1.00 72.21 H new ATOM 0 HD12 ILE A 27 2.736 -2.354 -3.704 1.00 72.21 H new ATOM 0 HD13 ILE A 27 3.200 -1.248 -5.018 1.00 72.21 H new ATOM 403 N HIS A 28 2.681 -4.779 -9.352 1.00 71.30 N ATOM 404 CA HIS A 28 1.983 -4.535 -10.651 1.00 52.12 C ATOM 405 C HIS A 28 0.905 -5.613 -10.988 1.00 54.21 C ATOM 406 O HIS A 28 0.082 -5.404 -11.884 1.00 12.25 O ATOM 407 CB HIS A 28 3.025 -4.426 -11.800 1.00 14.15 C ATOM 408 CG HIS A 28 3.878 -5.657 -12.010 1.00 21.43 C ATOM 409 ND1 HIS A 28 5.114 -5.828 -11.423 1.00 33.35 N ATOM 410 CD2 HIS A 28 3.674 -6.766 -12.762 1.00 55.22 C ATOM 411 CE1 HIS A 28 5.625 -6.980 -11.801 1.00 73.41 C ATOM 412 NE2 HIS A 28 4.774 -7.567 -12.611 1.00 51.31 N ATOM 0 H HIS A 28 3.678 -4.971 -9.453 1.00 71.30 H new ATOM 0 HA HIS A 28 1.446 -3.592 -10.548 1.00 52.12 H new ATOM 0 HB2 HIS A 28 2.498 -4.205 -12.728 1.00 14.15 H new ATOM 0 HB3 HIS A 28 3.680 -3.579 -11.596 1.00 14.15 H new ATOM 0 HD1 HIS A 28 5.563 -5.164 -10.793 1.00 33.35 H new ATOM 0 HD2 HIS A 28 2.805 -6.978 -13.368 1.00 55.22 H new ATOM 0 HE1 HIS A 28 6.583 -7.376 -11.497 1.00 73.41 H new ATOM 421 N ARG A 29 0.926 -6.758 -10.271 1.00 31.42 N ATOM 422 CA ARG A 29 -0.044 -7.872 -10.470 1.00 3.52 C ATOM 423 C ARG A 29 -1.463 -7.519 -9.952 1.00 55.04 C ATOM 424 O ARG A 29 -2.444 -8.162 -10.339 1.00 62.52 O ATOM 425 CB ARG A 29 0.471 -9.157 -9.762 1.00 25.42 C ATOM 426 CG ARG A 29 1.805 -9.717 -10.308 1.00 1.34 C ATOM 427 CD ARG A 29 2.384 -10.844 -9.423 1.00 42.53 C ATOM 428 NE ARG A 29 1.495 -12.018 -9.333 1.00 41.14 N ATOM 429 CZ ARG A 29 1.575 -12.971 -8.427 1.00 60.23 C ATOM 430 NH1 ARG A 29 2.400 -12.892 -7.421 1.00 51.23 N ATOM 431 NH2 ARG A 29 0.787 -13.991 -8.517 1.00 72.22 N ATOM 0 H ARG A 29 1.612 -6.942 -9.538 1.00 31.42 H new ATOM 0 HA ARG A 29 -0.122 -8.045 -11.543 1.00 3.52 H new ATOM 0 HB2 ARG A 29 0.592 -8.944 -8.700 1.00 25.42 H new ATOM 0 HB3 ARG A 29 -0.292 -9.931 -9.847 1.00 25.42 H new ATOM 0 HG2 ARG A 29 1.649 -10.097 -11.318 1.00 1.34 H new ATOM 0 HG3 ARG A 29 2.532 -8.908 -10.381 1.00 1.34 H new ATOM 0 HD2 ARG A 29 3.348 -11.155 -9.824 1.00 42.53 H new ATOM 0 HD3 ARG A 29 2.566 -10.455 -8.421 1.00 42.53 H new ATOM 0 HE ARG A 29 0.756 -12.099 -10.031 1.00 41.14 H new ATOM 0 HH11 ARG A 29 3.005 -12.077 -7.320 1.00 51.23 H new ATOM 0 HH12 ARG A 29 2.441 -13.645 -6.734 1.00 51.23 H new ATOM 0 HH21 ARG A 29 0.115 -14.050 -9.282 1.00 72.22 H new ATOM 0 HH22 ARG A 29 0.837 -14.737 -7.823 1.00 72.22 H new ATOM 445 N TRP A 30 -1.564 -6.515 -9.056 1.00 34.11 N ATOM 446 CA TRP A 30 -2.864 -6.056 -8.496 1.00 41.30 C ATOM 447 C TRP A 30 -3.049 -4.538 -8.646 1.00 13.30 C ATOM 448 O TRP A 30 -4.169 -4.060 -8.866 1.00 74.25 O ATOM 449 CB TRP A 30 -3.003 -6.463 -7.009 1.00 53.44 C ATOM 450 CG TRP A 30 -1.944 -5.906 -6.066 1.00 65.53 C ATOM 451 CD1 TRP A 30 -0.655 -6.337 -5.931 1.00 61.03 C ATOM 452 CD2 TRP A 30 -2.098 -4.837 -5.112 1.00 42.52 C ATOM 453 NE1 TRP A 30 -0.013 -5.622 -4.960 1.00 41.04 N ATOM 454 CE2 TRP A 30 -0.874 -4.695 -4.444 1.00 50.43 C ATOM 455 CE3 TRP A 30 -3.147 -3.992 -4.764 1.00 73.11 C ATOM 456 CZ2 TRP A 30 -0.669 -3.741 -3.449 1.00 51.34 C ATOM 457 CZ3 TRP A 30 -2.952 -3.051 -3.772 1.00 3.53 C ATOM 458 CH2 TRP A 30 -1.717 -2.933 -3.125 1.00 21.12 C ATOM 0 H TRP A 30 -0.759 -6.001 -8.700 1.00 34.11 H new ATOM 0 HA TRP A 30 -3.648 -6.548 -9.071 1.00 41.30 H new ATOM 0 HB2 TRP A 30 -3.983 -6.142 -6.654 1.00 53.44 H new ATOM 0 HB3 TRP A 30 -2.982 -7.551 -6.946 1.00 53.44 H new ATOM 0 HD1 TRP A 30 -0.207 -7.131 -6.510 1.00 61.03 H new ATOM 0 HE1 TRP A 30 0.954 -5.758 -4.667 1.00 41.04 H new ATOM 0 HE3 TRP A 30 -4.101 -4.071 -5.263 1.00 73.11 H new ATOM 0 HZ2 TRP A 30 0.286 -3.646 -2.953 1.00 51.34 H new ATOM 0 HZ3 TRP A 30 -3.764 -2.397 -3.492 1.00 3.53 H new ATOM 0 HH2 TRP A 30 -1.592 -2.187 -2.354 1.00 21.12 H new ATOM 469 N HIS A 31 -1.947 -3.782 -8.528 1.00 65.51 N ATOM 470 CA HIS A 31 -1.987 -2.313 -8.510 1.00 41.22 C ATOM 471 C HIS A 31 -1.867 -1.751 -9.956 1.00 74.34 C ATOM 472 O HIS A 31 -0.802 -1.881 -10.574 1.00 41.55 O ATOM 473 CB HIS A 31 -0.866 -1.751 -7.607 1.00 3.33 C ATOM 474 CG HIS A 31 -1.179 -0.382 -7.080 1.00 52.44 C ATOM 475 ND1 HIS A 31 -0.944 0.756 -7.809 1.00 31.33 N ATOM 476 CD2 HIS A 31 -1.759 -0.047 -5.915 1.00 64.33 C ATOM 477 CE1 HIS A 31 -1.398 1.747 -7.066 1.00 65.22 C ATOM 478 NE2 HIS A 31 -1.898 1.310 -5.913 1.00 3.11 N ATOM 0 H HIS A 31 -1.008 -4.170 -8.443 1.00 65.51 H new ATOM 0 HA HIS A 31 -2.945 -1.996 -8.098 1.00 41.22 H new ATOM 0 HB2 HIS A 31 -0.705 -2.430 -6.770 1.00 3.33 H new ATOM 0 HB3 HIS A 31 0.066 -1.714 -8.172 1.00 3.33 H new ATOM 0 HD2 HIS A 31 -2.059 -0.724 -5.129 1.00 64.33 H new ATOM 0 HE1 HIS A 31 -1.368 2.786 -7.358 1.00 65.22 H new ATOM 0 HE2 HIS A 31 -2.306 1.879 -5.171 1.00 3.11 H new ATOM 486 N PRO A 32 -2.953 -1.113 -10.510 1.00 2.23 N ATOM 487 CA PRO A 32 -3.003 -0.668 -11.935 1.00 51.12 C ATOM 488 C PRO A 32 -2.056 0.522 -12.262 1.00 24.34 C ATOM 489 O PRO A 32 -1.768 0.787 -13.434 1.00 70.32 O ATOM 490 CB PRO A 32 -4.494 -0.272 -12.113 1.00 41.14 C ATOM 491 CG PRO A 32 -4.934 0.149 -10.746 1.00 31.50 C ATOM 492 CD PRO A 32 -4.215 -0.770 -9.789 1.00 31.32 C ATOM 0 HA PRO A 32 -2.660 -1.448 -12.615 1.00 51.12 H new ATOM 0 HB2 PRO A 32 -4.606 0.538 -12.834 1.00 41.14 H new ATOM 0 HB3 PRO A 32 -5.086 -1.110 -12.480 1.00 41.14 H new ATOM 0 HG2 PRO A 32 -4.679 1.191 -10.555 1.00 31.50 H new ATOM 0 HG3 PRO A 32 -6.015 0.061 -10.637 1.00 31.50 H new ATOM 0 HD2 PRO A 32 -4.012 -0.278 -8.838 1.00 31.32 H new ATOM 0 HD3 PRO A 32 -4.805 -1.660 -9.568 1.00 31.32 H new ATOM 500 N GLN A 33 -1.582 1.214 -11.214 1.00 60.04 N ATOM 501 CA GLN A 33 -0.729 2.423 -11.342 1.00 71.33 C ATOM 502 C GLN A 33 0.776 2.080 -11.299 1.00 55.42 C ATOM 503 O GLN A 33 1.609 2.885 -11.729 1.00 54.04 O ATOM 504 CB GLN A 33 -1.102 3.404 -10.209 1.00 73.51 C ATOM 505 CG GLN A 33 -2.571 3.899 -10.267 1.00 23.05 C ATOM 506 CD GLN A 33 -3.099 4.380 -8.921 1.00 3.34 C ATOM 507 OE1 GLN A 33 -2.969 5.536 -8.556 1.00 4.24 O ATOM 508 NE2 GLN A 33 -3.699 3.476 -8.171 1.00 24.41 N ATOM 0 H GLN A 33 -1.776 0.956 -10.247 1.00 60.04 H new ATOM 0 HA GLN A 33 -0.911 2.883 -12.313 1.00 71.33 H new ATOM 0 HB2 GLN A 33 -0.930 2.918 -9.249 1.00 73.51 H new ATOM 0 HB3 GLN A 33 -0.436 4.266 -10.254 1.00 73.51 H new ATOM 0 HG2 GLN A 33 -2.645 4.712 -10.990 1.00 23.05 H new ATOM 0 HG3 GLN A 33 -3.205 3.091 -10.630 1.00 23.05 H new ATOM 0 HE21 GLN A 33 -3.792 2.517 -8.505 1.00 24.41 H new ATOM 0 HE22 GLN A 33 -4.070 3.736 -7.257 1.00 24.41 H new ATOM 517 N VAL A 34 1.128 0.902 -10.744 1.00 14.40 N ATOM 518 CA VAL A 34 2.514 0.400 -10.775 1.00 54.25 C ATOM 519 C VAL A 34 2.926 0.001 -12.217 1.00 11.33 C ATOM 520 O VAL A 34 2.414 -0.976 -12.777 1.00 61.54 O ATOM 521 CB VAL A 34 2.709 -0.797 -9.778 1.00 45.22 C ATOM 522 CG1 VAL A 34 4.113 -1.446 -9.923 1.00 42.41 C ATOM 523 CG2 VAL A 34 2.466 -0.325 -8.323 1.00 14.24 C ATOM 0 H VAL A 34 0.471 0.282 -10.270 1.00 14.40 H new ATOM 0 HA VAL A 34 3.169 1.208 -10.450 1.00 54.25 H new ATOM 0 HB VAL A 34 1.975 -1.563 -10.027 1.00 45.22 H new ATOM 0 HG11 VAL A 34 4.208 -2.270 -9.216 1.00 42.41 H new ATOM 0 HG12 VAL A 34 4.236 -1.823 -10.938 1.00 42.41 H new ATOM 0 HG13 VAL A 34 4.881 -0.701 -9.717 1.00 42.41 H new ATOM 0 HG21 VAL A 34 2.604 -1.164 -7.641 1.00 14.24 H new ATOM 0 HG22 VAL A 34 3.174 0.466 -8.074 1.00 14.24 H new ATOM 0 HG23 VAL A 34 1.449 0.056 -8.229 1.00 14.24 H new ATOM 533 N SER A 35 3.862 0.776 -12.792 1.00 35.50 N ATOM 534 CA SER A 35 4.354 0.607 -14.187 1.00 32.40 C ATOM 535 C SER A 35 5.609 -0.305 -14.252 1.00 24.02 C ATOM 536 O SER A 35 6.410 -0.212 -15.192 1.00 13.45 O ATOM 537 CB SER A 35 4.671 2.011 -14.760 1.00 31.44 C ATOM 538 OG SER A 35 5.008 1.967 -16.139 1.00 31.50 O ATOM 0 H SER A 35 4.309 1.550 -12.301 1.00 35.50 H new ATOM 0 HA SER A 35 3.582 0.118 -14.781 1.00 32.40 H new ATOM 0 HB2 SER A 35 3.808 2.662 -14.620 1.00 31.44 H new ATOM 0 HB3 SER A 35 5.496 2.451 -14.200 1.00 31.44 H new ATOM 0 HG SER A 35 5.607 1.209 -16.305 1.00 31.50 H new ATOM 544 N ALA A 36 5.722 -1.225 -13.265 1.00 44.11 N ATOM 545 CA ALA A 36 6.903 -2.101 -13.061 1.00 62.22 C ATOM 546 C ALA A 36 8.188 -1.260 -12.755 1.00 24.34 C ATOM 547 O ALA A 36 8.827 -0.740 -13.672 1.00 61.54 O ATOM 548 CB ALA A 36 7.108 -3.065 -14.247 1.00 53.35 C ATOM 0 H ALA A 36 4.985 -1.383 -12.577 1.00 44.11 H new ATOM 0 HA ALA A 36 6.708 -2.720 -12.185 1.00 62.22 H new ATOM 0 HB1 ALA A 36 7.982 -3.690 -14.061 1.00 53.35 H new ATOM 0 HB2 ALA A 36 6.227 -3.697 -14.359 1.00 53.35 H new ATOM 0 HB3 ALA A 36 7.261 -2.491 -15.161 1.00 53.35 H new ATOM 554 N PRO A 37 8.571 -1.108 -11.448 1.00 43.34 N ATOM 555 CA PRO A 37 9.692 -0.218 -11.025 1.00 34.21 C ATOM 556 C PRO A 37 11.107 -0.873 -11.096 1.00 45.33 C ATOM 557 O PRO A 37 11.242 -2.076 -11.335 1.00 44.33 O ATOM 558 CB PRO A 37 9.291 0.096 -9.571 1.00 11.52 C ATOM 559 CG PRO A 37 8.657 -1.180 -9.081 1.00 62.34 C ATOM 560 CD PRO A 37 7.950 -1.791 -10.278 1.00 62.04 C ATOM 0 HA PRO A 37 9.804 0.646 -11.679 1.00 34.21 H new ATOM 0 HB2 PRO A 37 10.158 0.368 -8.968 1.00 11.52 H new ATOM 0 HB3 PRO A 37 8.594 0.932 -9.522 1.00 11.52 H new ATOM 0 HG2 PRO A 37 9.410 -1.861 -8.685 1.00 62.34 H new ATOM 0 HG3 PRO A 37 7.952 -0.979 -8.274 1.00 62.34 H new ATOM 0 HD2 PRO A 37 8.097 -2.870 -10.321 1.00 62.04 H new ATOM 0 HD3 PRO A 37 6.875 -1.617 -10.238 1.00 62.04 H new ATOM 568 N THR A 38 12.147 -0.053 -10.859 1.00 30.14 N ATOM 569 CA THR A 38 13.566 -0.498 -10.824 1.00 4.21 C ATOM 570 C THR A 38 14.020 -0.677 -9.362 1.00 65.20 C ATOM 571 O THR A 38 13.941 0.263 -8.573 1.00 1.23 O ATOM 572 CB THR A 38 14.505 0.534 -11.547 1.00 43.12 C ATOM 573 OG1 THR A 38 14.110 0.659 -12.921 1.00 54.32 O ATOM 574 CG2 THR A 38 16.000 0.140 -11.475 1.00 23.33 C ATOM 0 H THR A 38 12.033 0.945 -10.684 1.00 30.14 H new ATOM 0 HA THR A 38 13.636 -1.450 -11.351 1.00 4.21 H new ATOM 0 HB THR A 38 14.397 1.486 -11.026 1.00 43.12 H new ATOM 0 HG1 THR A 38 14.694 1.304 -13.372 1.00 54.32 H new ATOM 0 HG21 THR A 38 16.599 0.890 -11.991 1.00 23.33 H new ATOM 0 HG22 THR A 38 16.311 0.082 -10.432 1.00 23.33 H new ATOM 0 HG23 THR A 38 16.144 -0.830 -11.951 1.00 23.33 H new ATOM 582 N LEU A 39 14.493 -1.885 -9.010 1.00 72.52 N ATOM 583 CA LEU A 39 14.926 -2.218 -7.632 1.00 72.34 C ATOM 584 C LEU A 39 16.440 -2.000 -7.456 1.00 55.31 C ATOM 585 O LEU A 39 17.255 -2.498 -8.246 1.00 21.21 O ATOM 586 CB LEU A 39 14.509 -3.678 -7.256 1.00 70.14 C ATOM 587 CG LEU A 39 13.089 -3.833 -6.627 1.00 73.01 C ATOM 588 CD1 LEU A 39 13.017 -3.118 -5.259 1.00 61.10 C ATOM 589 CD2 LEU A 39 11.981 -3.340 -7.590 1.00 52.15 C ATOM 0 H LEU A 39 14.588 -2.659 -9.667 1.00 72.52 H new ATOM 0 HA LEU A 39 14.419 -1.540 -6.945 1.00 72.34 H new ATOM 0 HB2 LEU A 39 14.558 -4.293 -8.154 1.00 70.14 H new ATOM 0 HB3 LEU A 39 15.243 -4.077 -6.556 1.00 70.14 H new ATOM 0 HG LEU A 39 12.911 -4.895 -6.459 1.00 73.01 H new ATOM 0 HD11 LEU A 39 12.019 -3.238 -4.838 1.00 61.10 H new ATOM 0 HD12 LEU A 39 13.752 -3.554 -4.582 1.00 61.10 H new ATOM 0 HD13 LEU A 39 13.230 -2.057 -5.391 1.00 61.10 H new ATOM 0 HD21 LEU A 39 11.007 -3.464 -7.117 1.00 52.15 H new ATOM 0 HD22 LEU A 39 12.141 -2.287 -7.820 1.00 52.15 H new ATOM 0 HD23 LEU A 39 12.014 -3.922 -8.511 1.00 52.15 H new ATOM 601 N ARG A 40 16.801 -1.225 -6.419 1.00 50.10 N ATOM 602 CA ARG A 40 18.199 -0.914 -6.091 1.00 40.20 C ATOM 603 C ARG A 40 18.638 -1.737 -4.862 1.00 22.45 C ATOM 604 O ARG A 40 18.033 -1.603 -3.792 1.00 10.42 O ATOM 605 CB ARG A 40 18.372 0.606 -5.801 1.00 74.24 C ATOM 606 CG ARG A 40 17.569 1.550 -6.727 1.00 52.44 C ATOM 607 CD ARG A 40 17.972 3.031 -6.545 1.00 52.31 C ATOM 608 NE ARG A 40 18.100 3.402 -5.117 1.00 1.12 N ATOM 609 CZ ARG A 40 18.616 4.517 -4.662 1.00 1.42 C ATOM 610 NH1 ARG A 40 18.942 5.494 -5.450 1.00 23.31 N ATOM 611 NH2 ARG A 40 18.791 4.650 -3.387 1.00 62.01 N ATOM 0 H ARG A 40 16.128 -0.796 -5.784 1.00 50.10 H new ATOM 0 HA ARG A 40 18.824 -1.174 -6.945 1.00 40.20 H new ATOM 0 HB2 ARG A 40 18.077 0.798 -4.769 1.00 74.24 H new ATOM 0 HB3 ARG A 40 19.430 0.857 -5.882 1.00 74.24 H new ATOM 0 HG2 ARG A 40 17.726 1.258 -7.765 1.00 52.44 H new ATOM 0 HG3 ARG A 40 16.504 1.437 -6.522 1.00 52.44 H new ATOM 0 HD2 ARG A 40 18.919 3.214 -7.053 1.00 52.31 H new ATOM 0 HD3 ARG A 40 17.227 3.670 -7.020 1.00 52.31 H new ATOM 0 HE ARG A 40 17.757 2.732 -4.429 1.00 1.12 H new ATOM 0 HH11 ARG A 40 18.799 5.407 -6.456 1.00 23.31 H new ATOM 0 HH12 ARG A 40 19.342 6.349 -5.064 1.00 23.31 H new ATOM 0 HH21 ARG A 40 18.529 3.894 -2.755 1.00 62.01 H new ATOM 0 HH22 ARG A 40 19.191 5.511 -3.014 1.00 62.01 H new ATOM 625 N GLY A 41 19.718 -2.527 -5.023 1.00 61.13 N ATOM 626 CA GLY A 41 20.242 -3.445 -3.988 1.00 22.32 C ATOM 627 C GLY A 41 19.219 -4.327 -3.228 1.00 31.45 C ATOM 628 O GLY A 41 18.028 -4.366 -3.558 1.00 14.10 O ATOM 0 H GLY A 41 20.260 -2.547 -5.887 1.00 61.13 H new ATOM 0 HA2 GLY A 41 20.969 -4.105 -4.461 1.00 22.32 H new ATOM 0 HA3 GLY A 41 20.783 -2.849 -3.253 1.00 22.32 H new ATOM 632 N ALA A 42 19.743 -5.075 -2.227 1.00 42.30 N ATOM 633 CA ALA A 42 18.974 -6.039 -1.394 1.00 30.41 C ATOM 634 C ALA A 42 18.049 -6.988 -2.236 1.00 10.24 C ATOM 635 O ALA A 42 18.544 -7.709 -3.116 1.00 75.53 O ATOM 636 CB ALA A 42 18.229 -5.292 -0.262 1.00 11.30 C ATOM 0 H ALA A 42 20.729 -5.026 -1.969 1.00 42.30 H new ATOM 0 HA ALA A 42 19.687 -6.717 -0.925 1.00 30.41 H new ATOM 0 HB1 ALA A 42 17.670 -6.008 0.340 1.00 11.30 H new ATOM 0 HB2 ALA A 42 18.951 -4.773 0.368 1.00 11.30 H new ATOM 0 HB3 ALA A 42 17.540 -4.567 -0.696 1.00 11.30 H new ATOM 642 N SER A 43 16.721 -6.972 -1.976 1.00 14.43 N ATOM 643 CA SER A 43 15.718 -7.821 -2.674 1.00 2.41 C ATOM 644 C SER A 43 14.296 -7.229 -2.432 1.00 61.55 C ATOM 645 O SER A 43 14.097 -6.530 -1.439 1.00 75.35 O ATOM 646 CB SER A 43 15.763 -9.294 -2.161 1.00 71.43 C ATOM 647 OG SER A 43 17.011 -9.938 -2.404 1.00 62.00 O ATOM 0 H SER A 43 16.308 -6.364 -1.269 1.00 14.43 H new ATOM 0 HA SER A 43 15.952 -7.828 -3.739 1.00 2.41 H new ATOM 0 HB2 SER A 43 15.559 -9.305 -1.090 1.00 71.43 H new ATOM 0 HB3 SER A 43 14.968 -9.864 -2.643 1.00 71.43 H new ATOM 0 HG SER A 43 17.635 -9.300 -2.809 1.00 62.00 H new ATOM 653 N PRO A 44 13.279 -7.491 -3.321 1.00 5.24 N ATOM 654 CA PRO A 44 11.884 -6.971 -3.127 1.00 62.12 C ATOM 655 C PRO A 44 11.164 -7.487 -1.841 1.00 23.42 C ATOM 656 O PRO A 44 10.136 -6.937 -1.446 1.00 53.14 O ATOM 657 CB PRO A 44 11.148 -7.438 -4.413 1.00 72.00 C ATOM 658 CG PRO A 44 11.961 -8.592 -4.919 1.00 65.22 C ATOM 659 CD PRO A 44 13.395 -8.244 -4.599 1.00 2.41 C ATOM 0 HA PRO A 44 11.890 -5.891 -2.980 1.00 62.12 H new ATOM 0 HB2 PRO A 44 10.124 -7.741 -4.195 1.00 72.00 H new ATOM 0 HB3 PRO A 44 11.094 -6.638 -5.151 1.00 72.00 H new ATOM 0 HG2 PRO A 44 11.665 -9.523 -4.435 1.00 65.22 H new ATOM 0 HG3 PRO A 44 11.820 -8.731 -5.991 1.00 65.22 H new ATOM 0 HD2 PRO A 44 14.012 -9.136 -4.487 1.00 2.41 H new ATOM 0 HD3 PRO A 44 13.848 -7.639 -5.384 1.00 2.41 H new ATOM 667 N HIS A 45 11.682 -8.555 -1.207 1.00 55.14 N ATOM 668 CA HIS A 45 11.162 -9.044 0.098 1.00 21.03 C ATOM 669 C HIS A 45 12.191 -8.814 1.247 1.00 15.25 C ATOM 670 O HIS A 45 11.923 -9.172 2.399 1.00 13.10 O ATOM 671 CB HIS A 45 10.777 -10.544 0.003 1.00 20.03 C ATOM 672 CG HIS A 45 9.711 -10.862 -1.025 1.00 41.23 C ATOM 673 ND1 HIS A 45 8.363 -10.691 -0.787 1.00 44.44 N ATOM 674 CD2 HIS A 45 9.798 -11.382 -2.279 1.00 45.34 C ATOM 675 CE1 HIS A 45 7.673 -11.095 -1.836 1.00 32.23 C ATOM 676 NE2 HIS A 45 8.515 -11.516 -2.752 1.00 24.33 N ATOM 0 H HIS A 45 12.462 -9.102 -1.572 1.00 55.14 H new ATOM 0 HA HIS A 45 10.268 -8.468 0.335 1.00 21.03 H new ATOM 0 HB2 HIS A 45 11.672 -11.120 -0.232 1.00 20.03 H new ATOM 0 HB3 HIS A 45 10.430 -10.878 0.981 1.00 20.03 H new ATOM 0 HD2 HIS A 45 10.705 -11.641 -2.804 1.00 45.34 H new ATOM 0 HE1 HIS A 45 6.597 -11.082 -1.927 1.00 32.23 H new ATOM 0 HE2 HIS A 45 8.258 -11.884 -3.668 1.00 24.33 H new ATOM 685 N THR A 46 13.364 -8.213 0.933 1.00 32.43 N ATOM 686 CA THR A 46 14.435 -7.916 1.928 1.00 72.24 C ATOM 687 C THR A 46 14.565 -6.379 2.165 1.00 72.55 C ATOM 688 O THR A 46 14.693 -5.621 1.195 1.00 1.43 O ATOM 689 CB THR A 46 15.831 -8.474 1.474 1.00 73.21 C ATOM 690 OG1 THR A 46 15.739 -9.882 1.210 1.00 40.01 O ATOM 691 CG2 THR A 46 16.932 -8.240 2.530 1.00 11.13 C ATOM 0 H THR A 46 13.599 -7.919 -0.015 1.00 32.43 H new ATOM 0 HA THR A 46 14.142 -8.411 2.854 1.00 72.24 H new ATOM 0 HB THR A 46 16.106 -7.931 0.570 1.00 73.21 H new ATOM 0 HG1 THR A 46 16.614 -10.219 0.926 1.00 40.01 H new ATOM 0 HG21 THR A 46 17.877 -8.644 2.166 1.00 11.13 H new ATOM 0 HG22 THR A 46 17.041 -7.171 2.711 1.00 11.13 H new ATOM 0 HG23 THR A 46 16.657 -8.739 3.459 1.00 11.13 H new ATOM 699 N PRO A 47 14.523 -5.902 3.457 1.00 14.35 N ATOM 700 CA PRO A 47 14.755 -4.467 3.821 1.00 73.42 C ATOM 701 C PRO A 47 16.047 -3.855 3.206 1.00 43.24 C ATOM 702 O PRO A 47 17.099 -4.503 3.175 1.00 30.52 O ATOM 703 CB PRO A 47 14.861 -4.516 5.367 1.00 10.32 C ATOM 704 CG PRO A 47 14.024 -5.695 5.757 1.00 23.22 C ATOM 705 CD PRO A 47 14.202 -6.719 4.659 1.00 54.20 C ATOM 0 HA PRO A 47 13.959 -3.829 3.437 1.00 73.42 H new ATOM 0 HB2 PRO A 47 15.895 -4.637 5.691 1.00 10.32 H new ATOM 0 HB3 PRO A 47 14.490 -3.597 5.821 1.00 10.32 H new ATOM 0 HG2 PRO A 47 14.341 -6.097 6.719 1.00 23.22 H new ATOM 0 HG3 PRO A 47 12.976 -5.412 5.860 1.00 23.22 H new ATOM 0 HD2 PRO A 47 15.004 -7.419 4.892 1.00 54.20 H new ATOM 0 HD3 PRO A 47 13.297 -7.308 4.512 1.00 54.20 H new ATOM 713 N GLY A 48 15.944 -2.599 2.731 1.00 63.34 N ATOM 714 CA GLY A 48 17.082 -1.875 2.128 1.00 11.41 C ATOM 715 C GLY A 48 17.082 -1.901 0.594 1.00 12.52 C ATOM 716 O GLY A 48 18.122 -1.680 -0.033 1.00 2.55 O ATOM 0 H GLY A 48 15.078 -2.061 2.753 1.00 63.34 H new ATOM 0 HA2 GLY A 48 17.063 -0.839 2.466 1.00 11.41 H new ATOM 0 HA3 GLY A 48 18.013 -2.311 2.491 1.00 11.41 H new ATOM 720 N ALA A 49 15.909 -2.187 -0.009 1.00 64.42 N ATOM 721 CA ALA A 49 15.708 -2.150 -1.479 1.00 74.41 C ATOM 722 C ALA A 49 14.806 -0.961 -1.878 1.00 73.12 C ATOM 723 O ALA A 49 13.770 -0.738 -1.249 1.00 12.43 O ATOM 724 CB ALA A 49 15.093 -3.472 -1.959 1.00 31.34 C ATOM 0 H ALA A 49 15.071 -2.451 0.508 1.00 64.42 H new ATOM 0 HA ALA A 49 16.678 -2.017 -1.958 1.00 74.41 H new ATOM 0 HB1 ALA A 49 14.949 -3.435 -3.039 1.00 31.34 H new ATOM 0 HB2 ALA A 49 15.762 -4.296 -1.710 1.00 31.34 H new ATOM 0 HB3 ALA A 49 14.131 -3.625 -1.470 1.00 31.34 H new ATOM 730 N GLU A 50 15.188 -0.208 -2.928 1.00 72.04 N ATOM 731 CA GLU A 50 14.418 0.976 -3.398 1.00 74.21 C ATOM 732 C GLU A 50 13.776 0.706 -4.776 1.00 24.02 C ATOM 733 O GLU A 50 14.491 0.468 -5.746 1.00 45.21 O ATOM 734 CB GLU A 50 15.309 2.251 -3.491 1.00 54.43 C ATOM 735 CG GLU A 50 15.907 2.763 -2.158 1.00 31.45 C ATOM 736 CD GLU A 50 17.105 1.948 -1.640 1.00 10.10 C ATOM 737 OE1 GLU A 50 18.157 1.942 -2.314 1.00 3.21 O ATOM 738 OE2 GLU A 50 17.021 1.358 -0.542 1.00 23.45 O ATOM 0 H GLU A 50 16.029 -0.395 -3.474 1.00 72.04 H new ATOM 0 HA GLU A 50 13.636 1.153 -2.659 1.00 74.21 H new ATOM 0 HB2 GLU A 50 16.129 2.047 -4.179 1.00 54.43 H new ATOM 0 HB3 GLU A 50 14.716 3.053 -3.931 1.00 54.43 H new ATOM 0 HG2 GLU A 50 16.218 3.799 -2.289 1.00 31.45 H new ATOM 0 HG3 GLU A 50 15.125 2.758 -1.398 1.00 31.45 H new ATOM 745 N ARG A 51 12.425 0.746 -4.867 1.00 13.11 N ATOM 746 CA ARG A 51 11.712 0.602 -6.158 1.00 14.23 C ATOM 747 C ARG A 51 11.431 2.000 -6.769 1.00 44.41 C ATOM 748 O ARG A 51 10.881 2.885 -6.103 1.00 1.33 O ATOM 749 CB ARG A 51 10.411 -0.239 -5.996 1.00 73.25 C ATOM 750 CG ARG A 51 9.228 0.428 -5.260 1.00 71.33 C ATOM 751 CD ARG A 51 8.014 -0.515 -5.126 1.00 22.33 C ATOM 752 NE ARG A 51 6.873 0.131 -4.461 1.00 73.40 N ATOM 753 CZ ARG A 51 5.885 -0.489 -3.843 1.00 14.13 C ATOM 754 NH1 ARG A 51 5.850 -1.790 -3.748 1.00 54.43 N ATOM 755 NH2 ARG A 51 4.934 0.213 -3.319 1.00 62.10 N ATOM 0 H ARG A 51 11.809 0.876 -4.064 1.00 13.11 H new ATOM 0 HA ARG A 51 12.351 0.055 -6.852 1.00 14.23 H new ATOM 0 HB2 ARG A 51 10.070 -0.530 -6.990 1.00 73.25 H new ATOM 0 HB3 ARG A 51 10.665 -1.156 -5.465 1.00 73.25 H new ATOM 0 HG2 ARG A 51 9.552 0.743 -4.268 1.00 71.33 H new ATOM 0 HG3 ARG A 51 8.929 1.327 -5.798 1.00 71.33 H new ATOM 0 HD2 ARG A 51 7.710 -0.854 -6.116 1.00 22.33 H new ATOM 0 HD3 ARG A 51 8.306 -1.401 -4.562 1.00 22.33 H new ATOM 0 HE ARG A 51 6.842 1.150 -4.479 1.00 73.40 H new ATOM 0 HH11 ARG A 51 6.597 -2.351 -4.156 1.00 54.43 H new ATOM 0 HH12 ARG A 51 5.075 -2.245 -3.265 1.00 54.43 H new ATOM 0 HH21 ARG A 51 4.954 1.231 -3.387 1.00 62.10 H new ATOM 0 HH22 ARG A 51 4.163 -0.251 -2.838 1.00 62.10 H new ATOM 769 N VAL A 52 11.852 2.213 -8.033 1.00 20.40 N ATOM 770 CA VAL A 52 11.813 3.548 -8.682 1.00 12.34 C ATOM 771 C VAL A 52 10.975 3.514 -9.988 1.00 34.00 C ATOM 772 O VAL A 52 11.277 2.758 -10.910 1.00 74.45 O ATOM 773 CB VAL A 52 13.266 4.069 -8.996 1.00 32.31 C ATOM 774 CG1 VAL A 52 13.226 5.541 -9.469 1.00 74.42 C ATOM 775 CG2 VAL A 52 14.217 3.902 -7.778 1.00 52.04 C ATOM 0 H VAL A 52 12.226 1.476 -8.631 1.00 20.40 H new ATOM 0 HA VAL A 52 11.338 4.234 -7.980 1.00 12.34 H new ATOM 0 HB VAL A 52 13.667 3.457 -9.804 1.00 32.31 H new ATOM 0 HG11 VAL A 52 14.239 5.883 -9.681 1.00 74.42 H new ATOM 0 HG12 VAL A 52 12.621 5.617 -10.373 1.00 74.42 H new ATOM 0 HG13 VAL A 52 12.790 6.163 -8.687 1.00 74.42 H new ATOM 0 HG21 VAL A 52 15.209 4.273 -8.037 1.00 52.04 H new ATOM 0 HG22 VAL A 52 13.827 4.468 -6.932 1.00 52.04 H new ATOM 0 HG23 VAL A 52 14.283 2.848 -7.510 1.00 52.04 H new ATOM 785 N PHE A 53 9.931 4.354 -10.055 1.00 73.44 N ATOM 786 CA PHE A 53 8.963 4.394 -11.179 1.00 20.40 C ATOM 787 C PHE A 53 9.351 5.479 -12.210 1.00 72.32 C ATOM 788 O PHE A 53 8.878 6.612 -12.127 1.00 51.24 O ATOM 789 CB PHE A 53 7.536 4.660 -10.627 1.00 41.24 C ATOM 790 CG PHE A 53 7.046 3.598 -9.646 1.00 61.42 C ATOM 791 CD1 PHE A 53 7.507 3.572 -8.329 1.00 10.41 C ATOM 792 CD2 PHE A 53 6.135 2.623 -10.040 1.00 73.53 C ATOM 793 CE1 PHE A 53 7.078 2.606 -7.449 1.00 4.45 C ATOM 794 CE2 PHE A 53 5.706 1.663 -9.152 1.00 11.02 C ATOM 795 CZ PHE A 53 6.175 1.652 -7.857 1.00 32.42 C ATOM 0 H PHE A 53 9.726 5.036 -9.325 1.00 73.44 H new ATOM 0 HA PHE A 53 8.981 3.430 -11.687 1.00 20.40 H new ATOM 0 HB2 PHE A 53 7.523 5.631 -10.132 1.00 41.24 H new ATOM 0 HB3 PHE A 53 6.839 4.719 -11.463 1.00 41.24 H new ATOM 0 HD1 PHE A 53 8.210 4.321 -7.996 1.00 10.41 H new ATOM 0 HD2 PHE A 53 5.761 2.619 -11.053 1.00 73.53 H new ATOM 0 HE1 PHE A 53 7.451 2.596 -6.435 1.00 4.45 H new ATOM 0 HE2 PHE A 53 4.997 0.914 -9.473 1.00 11.02 H new ATOM 0 HZ PHE A 53 5.835 0.897 -7.164 1.00 32.42 H new ATOM 805 N GLY A 54 10.240 5.133 -13.159 1.00 23.41 N ATOM 806 CA GLY A 54 10.682 6.074 -14.210 1.00 25.11 C ATOM 807 C GLY A 54 12.183 6.358 -14.155 1.00 74.23 C ATOM 808 O GLY A 54 12.849 6.412 -15.197 1.00 20.32 O ATOM 0 H GLY A 54 10.668 4.209 -13.221 1.00 23.41 H new ATOM 0 HA2 GLY A 54 10.430 5.664 -15.188 1.00 25.11 H new ATOM 0 HA3 GLY A 54 10.135 7.011 -14.106 1.00 25.11 H new ATOM 812 N ALA A 55 12.698 6.569 -12.921 1.00 41.43 N ATOM 813 CA ALA A 55 14.150 6.767 -12.625 1.00 23.53 C ATOM 814 C ALA A 55 14.816 7.952 -13.376 1.00 12.22 C ATOM 815 O ALA A 55 16.050 8.037 -13.431 1.00 55.31 O ATOM 816 CB ALA A 55 14.919 5.449 -12.853 1.00 73.32 C ATOM 0 H ALA A 55 12.114 6.608 -12.086 1.00 41.43 H new ATOM 0 HA ALA A 55 14.206 7.050 -11.574 1.00 23.53 H new ATOM 0 HB1 ALA A 55 15.976 5.602 -12.635 1.00 73.32 H new ATOM 0 HB2 ALA A 55 14.521 4.677 -12.195 1.00 73.32 H new ATOM 0 HB3 ALA A 55 14.804 5.136 -13.891 1.00 73.32 H new ATOM 822 N GLY A 56 14.005 8.878 -13.902 1.00 14.12 N ATOM 823 CA GLY A 56 14.514 10.013 -14.689 1.00 21.10 C ATOM 824 C GLY A 56 13.606 10.366 -15.864 1.00 43.32 C ATOM 825 O GLY A 56 14.030 10.340 -17.025 1.00 5.42 O ATOM 0 H GLY A 56 12.990 8.865 -13.798 1.00 14.12 H new ATOM 0 HA2 GLY A 56 14.618 10.883 -14.040 1.00 21.10 H new ATOM 0 HA3 GLY A 56 15.510 9.774 -15.063 1.00 21.10 H new ATOM 829 N THR A 57 12.339 10.672 -15.551 1.00 24.21 N ATOM 830 CA THR A 57 11.331 11.126 -16.534 1.00 33.30 C ATOM 831 C THR A 57 11.081 12.646 -16.363 1.00 10.34 C ATOM 832 O THR A 57 11.488 13.445 -17.216 1.00 52.51 O ATOM 833 CB THR A 57 9.988 10.319 -16.385 1.00 0.21 C ATOM 834 OG1 THR A 57 9.504 10.396 -15.028 1.00 13.33 O ATOM 835 CG2 THR A 57 10.162 8.838 -16.770 1.00 32.30 C ATOM 0 H THR A 57 11.976 10.612 -14.600 1.00 24.21 H new ATOM 0 HA THR A 57 11.715 10.940 -17.537 1.00 33.30 H new ATOM 0 HB THR A 57 9.267 10.771 -17.066 1.00 0.21 H new ATOM 0 HG1 THR A 57 8.668 9.891 -14.950 1.00 13.33 H new ATOM 0 HG21 THR A 57 9.211 8.318 -16.653 1.00 32.30 H new ATOM 0 HG22 THR A 57 10.489 8.768 -17.808 1.00 32.30 H new ATOM 0 HG23 THR A 57 10.909 8.379 -16.122 1.00 32.30 H new ATOM 843 N GLU A 58 10.448 13.017 -15.229 1.00 31.05 N ATOM 844 CA GLU A 58 10.148 14.414 -14.826 1.00 51.04 C ATOM 845 C GLU A 58 9.339 14.402 -13.504 1.00 45.03 C ATOM 846 O GLU A 58 9.649 15.141 -12.563 1.00 72.31 O ATOM 847 CB GLU A 58 9.398 15.230 -15.936 1.00 43.44 C ATOM 848 CG GLU A 58 8.044 14.646 -16.391 1.00 51.50 C ATOM 849 CD GLU A 58 7.399 15.427 -17.545 1.00 55.12 C ATOM 850 OE1 GLU A 58 6.682 16.418 -17.282 1.00 62.32 O ATOM 851 OE2 GLU A 58 7.603 15.052 -18.722 1.00 34.44 O ATOM 0 H GLU A 58 10.120 12.334 -14.546 1.00 31.05 H new ATOM 0 HA GLU A 58 11.099 14.925 -14.676 1.00 51.04 H new ATOM 0 HB2 GLU A 58 9.232 16.242 -15.568 1.00 43.44 H new ATOM 0 HB3 GLU A 58 10.050 15.310 -16.806 1.00 43.44 H new ATOM 0 HG2 GLU A 58 8.189 13.611 -16.699 1.00 51.50 H new ATOM 0 HG3 GLU A 58 7.359 14.633 -15.543 1.00 51.50 H new ATOM 858 N GLU A 59 8.311 13.530 -13.444 1.00 3.45 N ATOM 859 CA GLU A 59 7.481 13.325 -12.244 1.00 22.12 C ATOM 860 C GLU A 59 7.440 11.818 -11.919 1.00 72.15 C ATOM 861 O GLU A 59 6.522 11.089 -12.315 1.00 74.32 O ATOM 862 CB GLU A 59 6.053 13.918 -12.453 1.00 54.22 C ATOM 863 CG GLU A 59 5.135 13.839 -11.209 1.00 44.43 C ATOM 864 CD GLU A 59 3.715 14.373 -11.467 1.00 24.33 C ATOM 865 OE1 GLU A 59 2.844 13.587 -11.891 1.00 22.42 O ATOM 866 OE2 GLU A 59 3.471 15.583 -11.261 1.00 65.01 O ATOM 0 H GLU A 59 8.034 12.946 -14.233 1.00 3.45 H new ATOM 0 HA GLU A 59 7.917 13.852 -11.395 1.00 22.12 H new ATOM 0 HB2 GLU A 59 6.147 14.962 -12.753 1.00 54.22 H new ATOM 0 HB3 GLU A 59 5.572 13.391 -13.277 1.00 54.22 H new ATOM 0 HG2 GLU A 59 5.072 12.802 -10.878 1.00 44.43 H new ATOM 0 HG3 GLU A 59 5.587 14.406 -10.396 1.00 44.43 H new ATOM 873 N GLU A 60 8.491 11.357 -11.237 1.00 33.25 N ATOM 874 CA GLU A 60 8.687 9.937 -10.874 1.00 25.35 C ATOM 875 C GLU A 60 8.586 9.748 -9.343 1.00 32.01 C ATOM 876 O GLU A 60 8.340 10.711 -8.598 1.00 32.21 O ATOM 877 CB GLU A 60 10.053 9.409 -11.427 1.00 13.31 C ATOM 878 CG GLU A 60 11.326 10.149 -10.949 1.00 3.45 C ATOM 879 CD GLU A 60 11.492 11.557 -11.560 1.00 40.43 C ATOM 880 OE1 GLU A 60 11.809 11.655 -12.765 1.00 74.12 O ATOM 881 OE2 GLU A 60 11.279 12.564 -10.846 1.00 25.14 O ATOM 0 H GLU A 60 9.245 11.962 -10.913 1.00 33.25 H new ATOM 0 HA GLU A 60 7.894 9.348 -11.334 1.00 25.35 H new ATOM 0 HB2 GLU A 60 10.147 8.358 -11.155 1.00 13.31 H new ATOM 0 HB3 GLU A 60 10.021 9.455 -12.516 1.00 13.31 H new ATOM 0 HG2 GLU A 60 11.299 10.235 -9.863 1.00 3.45 H new ATOM 0 HG3 GLU A 60 12.200 9.548 -11.200 1.00 3.45 H new ATOM 888 N LEU A 61 8.750 8.502 -8.874 1.00 13.24 N ATOM 889 CA LEU A 61 8.615 8.161 -7.441 1.00 60.33 C ATOM 890 C LEU A 61 9.676 7.122 -7.020 1.00 12.04 C ATOM 891 O LEU A 61 9.769 6.052 -7.622 1.00 44.42 O ATOM 892 CB LEU A 61 7.181 7.621 -7.166 1.00 14.31 C ATOM 893 CG LEU A 61 6.846 7.264 -5.682 1.00 0.24 C ATOM 894 CD1 LEU A 61 6.980 8.498 -4.760 1.00 72.21 C ATOM 895 CD2 LEU A 61 5.442 6.619 -5.569 1.00 10.40 C ATOM 0 H LEU A 61 8.978 7.705 -9.468 1.00 13.24 H new ATOM 0 HA LEU A 61 8.778 9.061 -6.849 1.00 60.33 H new ATOM 0 HB2 LEU A 61 6.464 8.367 -7.508 1.00 14.31 H new ATOM 0 HB3 LEU A 61 7.029 6.730 -7.775 1.00 14.31 H new ATOM 0 HG LEU A 61 7.576 6.528 -5.344 1.00 0.24 H new ATOM 0 HD11 LEU A 61 6.740 8.214 -3.735 1.00 72.21 H new ATOM 0 HD12 LEU A 61 8.002 8.875 -4.802 1.00 72.21 H new ATOM 0 HD13 LEU A 61 6.293 9.276 -5.092 1.00 72.21 H new ATOM 0 HD21 LEU A 61 5.234 6.380 -4.526 1.00 10.40 H new ATOM 0 HD22 LEU A 61 4.690 7.317 -5.938 1.00 10.40 H new ATOM 0 HD23 LEU A 61 5.412 5.706 -6.163 1.00 10.40 H new ATOM 907 N VAL A 62 10.490 7.455 -5.999 1.00 70.55 N ATOM 908 CA VAL A 62 11.407 6.490 -5.348 1.00 30.21 C ATOM 909 C VAL A 62 10.827 6.085 -3.982 1.00 53.14 C ATOM 910 O VAL A 62 10.687 6.930 -3.099 1.00 34.21 O ATOM 911 CB VAL A 62 12.853 7.076 -5.131 1.00 61.30 C ATOM 912 CG1 VAL A 62 13.815 6.027 -4.496 1.00 70.33 C ATOM 913 CG2 VAL A 62 13.425 7.633 -6.451 1.00 62.23 C ATOM 0 H VAL A 62 10.533 8.394 -5.602 1.00 70.55 H new ATOM 0 HA VAL A 62 11.495 5.630 -6.012 1.00 30.21 H new ATOM 0 HB VAL A 62 12.768 7.901 -4.424 1.00 61.30 H new ATOM 0 HG11 VAL A 62 14.801 6.471 -4.363 1.00 70.33 H new ATOM 0 HG12 VAL A 62 13.424 5.714 -3.528 1.00 70.33 H new ATOM 0 HG13 VAL A 62 13.893 5.160 -5.153 1.00 70.33 H new ATOM 0 HG21 VAL A 62 14.424 8.032 -6.275 1.00 62.23 H new ATOM 0 HG22 VAL A 62 13.478 6.834 -7.190 1.00 62.23 H new ATOM 0 HG23 VAL A 62 12.777 8.427 -6.822 1.00 62.23 H new ATOM 923 N GLU A 63 10.466 4.806 -3.834 1.00 52.02 N ATOM 924 CA GLU A 63 10.071 4.206 -2.543 1.00 30.12 C ATOM 925 C GLU A 63 11.217 3.317 -2.003 1.00 13.34 C ATOM 926 O GLU A 63 11.956 2.728 -2.776 1.00 45.23 O ATOM 927 CB GLU A 63 8.775 3.375 -2.722 1.00 34.32 C ATOM 928 CG GLU A 63 7.543 4.186 -3.184 1.00 35.53 C ATOM 929 CD GLU A 63 6.291 3.314 -3.398 1.00 55.40 C ATOM 930 OE1 GLU A 63 5.687 2.876 -2.407 1.00 43.14 O ATOM 931 OE2 GLU A 63 5.934 3.020 -4.552 1.00 34.53 O ATOM 0 H GLU A 63 10.438 4.147 -4.612 1.00 52.02 H new ATOM 0 HA GLU A 63 9.878 5.000 -1.821 1.00 30.12 H new ATOM 0 HB2 GLU A 63 8.965 2.584 -3.448 1.00 34.32 H new ATOM 0 HB3 GLU A 63 8.538 2.889 -1.776 1.00 34.32 H new ATOM 0 HG2 GLU A 63 7.322 4.953 -2.442 1.00 35.53 H new ATOM 0 HG3 GLU A 63 7.783 4.702 -4.114 1.00 35.53 H new ATOM 938 N ARG A 64 11.326 3.214 -0.670 1.00 21.41 N ATOM 939 CA ARG A 64 12.370 2.435 0.043 1.00 33.24 C ATOM 940 C ARG A 64 11.710 1.476 1.052 1.00 32.20 C ATOM 941 O ARG A 64 10.917 1.901 1.889 1.00 23.42 O ATOM 942 CB ARG A 64 13.376 3.379 0.781 1.00 55.44 C ATOM 943 CG ARG A 64 14.137 2.717 1.971 1.00 20.32 C ATOM 944 CD ARG A 64 15.319 3.549 2.486 1.00 11.55 C ATOM 945 NE ARG A 64 16.449 3.494 1.550 1.00 74.40 N ATOM 946 CZ ARG A 64 17.402 4.383 1.435 1.00 3.43 C ATOM 947 NH1 ARG A 64 17.377 5.493 2.109 1.00 54.24 N ATOM 948 NH2 ARG A 64 18.377 4.147 0.623 1.00 52.34 N ATOM 0 H ARG A 64 10.678 3.679 -0.035 1.00 21.41 H new ATOM 0 HA ARG A 64 12.927 1.858 -0.695 1.00 33.24 H new ATOM 0 HB2 ARG A 64 14.106 3.745 0.059 1.00 55.44 H new ATOM 0 HB3 ARG A 64 12.832 4.247 1.153 1.00 55.44 H new ATOM 0 HG2 ARG A 64 13.438 2.550 2.790 1.00 20.32 H new ATOM 0 HG3 ARG A 64 14.502 1.739 1.658 1.00 20.32 H new ATOM 0 HD2 ARG A 64 15.007 4.584 2.624 1.00 11.55 H new ATOM 0 HD3 ARG A 64 15.632 3.177 3.462 1.00 11.55 H new ATOM 0 HE ARG A 64 16.495 2.685 0.930 1.00 74.40 H new ATOM 0 HH11 ARG A 64 16.603 5.686 2.744 1.00 54.24 H new ATOM 0 HH12 ARG A 64 18.131 6.171 2.003 1.00 54.24 H new ATOM 0 HH21 ARG A 64 18.395 3.280 0.086 1.00 52.34 H new ATOM 0 HH22 ARG A 64 19.130 4.827 0.519 1.00 52.34 H new ATOM 962 N LEU A 65 12.068 0.188 0.969 1.00 22.52 N ATOM 963 CA LEU A 65 11.576 -0.858 1.871 1.00 2.32 C ATOM 964 C LEU A 65 12.281 -0.769 3.247 1.00 4.14 C ATOM 965 O LEU A 65 13.476 -1.055 3.361 1.00 53.54 O ATOM 966 CB LEU A 65 11.789 -2.249 1.209 1.00 31.34 C ATOM 967 CG LEU A 65 11.293 -3.495 2.008 1.00 11.54 C ATOM 968 CD1 LEU A 65 9.852 -3.296 2.508 1.00 33.42 C ATOM 969 CD2 LEU A 65 11.403 -4.786 1.151 1.00 54.13 C ATOM 0 H LEU A 65 12.717 -0.160 0.263 1.00 22.52 H new ATOM 0 HA LEU A 65 10.510 -0.716 2.046 1.00 2.32 H new ATOM 0 HB2 LEU A 65 11.287 -2.245 0.241 1.00 31.34 H new ATOM 0 HB3 LEU A 65 12.854 -2.373 1.015 1.00 31.34 H new ATOM 0 HG LEU A 65 11.939 -3.609 2.878 1.00 11.54 H new ATOM 0 HD11 LEU A 65 9.533 -4.180 3.061 1.00 33.42 H new ATOM 0 HD12 LEU A 65 9.811 -2.425 3.162 1.00 33.42 H new ATOM 0 HD13 LEU A 65 9.189 -3.142 1.656 1.00 33.42 H new ATOM 0 HD21 LEU A 65 11.051 -5.639 1.731 1.00 54.13 H new ATOM 0 HD22 LEU A 65 10.792 -4.681 0.254 1.00 54.13 H new ATOM 0 HD23 LEU A 65 12.443 -4.946 0.865 1.00 54.13 H new ATOM 981 N VAL A 66 11.523 -0.337 4.272 1.00 14.41 N ATOM 982 CA VAL A 66 12.017 -0.237 5.665 1.00 35.31 C ATOM 983 C VAL A 66 12.155 -1.642 6.294 1.00 23.35 C ATOM 984 O VAL A 66 13.211 -1.984 6.848 1.00 5.01 O ATOM 985 CB VAL A 66 11.058 0.662 6.537 1.00 52.35 C ATOM 986 CG1 VAL A 66 11.455 0.672 8.038 1.00 12.21 C ATOM 987 CG2 VAL A 66 10.996 2.105 5.983 1.00 54.21 C ATOM 0 H VAL A 66 10.551 -0.047 4.162 1.00 14.41 H new ATOM 0 HA VAL A 66 13.001 0.232 5.643 1.00 35.31 H new ATOM 0 HB VAL A 66 10.065 0.217 6.470 1.00 52.35 H new ATOM 0 HG11 VAL A 66 10.763 1.305 8.593 1.00 12.21 H new ATOM 0 HG12 VAL A 66 11.413 -0.343 8.432 1.00 12.21 H new ATOM 0 HG13 VAL A 66 12.468 1.061 8.144 1.00 12.21 H new ATOM 0 HG21 VAL A 66 10.328 2.704 6.602 1.00 54.21 H new ATOM 0 HG22 VAL A 66 11.994 2.543 5.997 1.00 54.21 H new ATOM 0 HG23 VAL A 66 10.622 2.086 4.959 1.00 54.21 H new ATOM 997 N GLU A 67 11.073 -2.441 6.189 1.00 2.33 N ATOM 998 CA GLU A 67 11.023 -3.825 6.716 1.00 73.34 C ATOM 999 C GLU A 67 9.799 -4.585 6.165 1.00 50.35 C ATOM 1000 O GLU A 67 8.800 -3.975 5.780 1.00 42.33 O ATOM 1001 CB GLU A 67 11.040 -3.825 8.271 1.00 2.14 C ATOM 1002 CG GLU A 67 9.862 -3.087 8.932 1.00 64.13 C ATOM 1003 CD GLU A 67 10.142 -2.697 10.392 1.00 22.25 C ATOM 1004 OE1 GLU A 67 11.017 -1.834 10.615 1.00 52.24 O ATOM 1005 OE2 GLU A 67 9.501 -3.239 11.317 1.00 73.01 O ATOM 0 H GLU A 67 10.208 -2.147 5.736 1.00 2.33 H new ATOM 0 HA GLU A 67 11.915 -4.350 6.374 1.00 73.34 H new ATOM 0 HB2 GLU A 67 11.045 -4.858 8.620 1.00 2.14 H new ATOM 0 HB3 GLU A 67 11.971 -3.370 8.610 1.00 2.14 H new ATOM 0 HG2 GLU A 67 9.636 -2.188 8.358 1.00 64.13 H new ATOM 0 HG3 GLU A 67 8.976 -3.721 8.894 1.00 64.13 H new ATOM 1012 N ARG A 68 9.896 -5.922 6.133 1.00 63.20 N ATOM 1013 CA ARG A 68 8.870 -6.798 5.526 1.00 70.21 C ATOM 1014 C ARG A 68 8.687 -8.085 6.370 1.00 45.51 C ATOM 1015 O ARG A 68 9.648 -8.830 6.605 1.00 2.53 O ATOM 1016 CB ARG A 68 9.270 -7.099 4.036 1.00 11.14 C ATOM 1017 CG ARG A 68 8.303 -8.014 3.214 1.00 53.34 C ATOM 1018 CD ARG A 68 8.644 -9.517 3.322 1.00 40.43 C ATOM 1019 NE ARG A 68 7.725 -10.376 2.553 1.00 53.34 N ATOM 1020 CZ ARG A 68 7.930 -11.646 2.282 1.00 60.14 C ATOM 1021 NH1 ARG A 68 9.022 -12.252 2.640 1.00 42.43 N ATOM 1022 NH2 ARG A 68 7.039 -12.306 1.634 1.00 44.41 N ATOM 0 H ARG A 68 10.687 -6.432 6.526 1.00 63.20 H new ATOM 0 HA ARG A 68 7.902 -6.297 5.518 1.00 70.21 H new ATOM 0 HB2 ARG A 68 9.365 -6.148 3.512 1.00 11.14 H new ATOM 0 HB3 ARG A 68 10.257 -7.562 4.037 1.00 11.14 H new ATOM 0 HG2 ARG A 68 7.282 -7.855 3.560 1.00 53.34 H new ATOM 0 HG3 ARG A 68 8.335 -7.716 2.166 1.00 53.34 H new ATOM 0 HD2 ARG A 68 9.663 -9.678 2.970 1.00 40.43 H new ATOM 0 HD3 ARG A 68 8.618 -9.815 4.370 1.00 40.43 H new ATOM 0 HE ARG A 68 6.865 -9.953 2.205 1.00 53.34 H new ATOM 0 HH11 ARG A 68 9.747 -11.741 3.145 1.00 42.43 H new ATOM 0 HH12 ARG A 68 9.155 -13.238 2.417 1.00 42.43 H new ATOM 0 HH21 ARG A 68 6.180 -11.844 1.334 1.00 44.41 H new ATOM 0 HH22 ARG A 68 7.190 -13.292 1.420 1.00 44.41 H new ATOM 1036 N ASP A 69 7.439 -8.324 6.815 1.00 44.41 N ATOM 1037 CA ASP A 69 7.049 -9.531 7.597 1.00 55.34 C ATOM 1038 C ASP A 69 6.517 -10.662 6.683 1.00 30.05 C ATOM 1039 O ASP A 69 6.489 -10.535 5.461 1.00 22.34 O ATOM 1040 CB ASP A 69 5.973 -9.153 8.649 1.00 14.33 C ATOM 1041 CG ASP A 69 6.473 -8.107 9.655 1.00 74.24 C ATOM 1042 OD1 ASP A 69 6.593 -6.925 9.278 1.00 61.21 O ATOM 1043 OD2 ASP A 69 6.775 -8.460 10.815 1.00 33.32 O ATOM 0 H ASP A 69 6.662 -7.686 6.645 1.00 44.41 H new ATOM 0 HA ASP A 69 7.942 -9.903 8.100 1.00 55.34 H new ATOM 0 HB2 ASP A 69 5.090 -8.768 8.138 1.00 14.33 H new ATOM 0 HB3 ASP A 69 5.664 -10.050 9.186 1.00 14.33 H new ATOM 1048 N GLU A 70 6.108 -11.782 7.311 1.00 65.24 N ATOM 1049 CA GLU A 70 5.532 -12.963 6.621 1.00 40.23 C ATOM 1050 C GLU A 70 4.340 -13.519 7.433 1.00 75.22 C ATOM 1051 O GLU A 70 3.192 -13.491 6.971 1.00 32.30 O ATOM 1052 CB GLU A 70 6.625 -14.052 6.402 1.00 33.53 C ATOM 1053 CG GLU A 70 7.734 -13.649 5.404 1.00 13.33 C ATOM 1054 CD GLU A 70 8.835 -14.707 5.215 1.00 62.50 C ATOM 1055 OE1 GLU A 70 8.506 -15.898 5.025 1.00 72.45 O ATOM 1056 OE2 GLU A 70 10.029 -14.347 5.200 1.00 64.31 O ATOM 0 H GLU A 70 6.167 -11.898 8.323 1.00 65.24 H new ATOM 0 HA GLU A 70 5.165 -12.660 5.641 1.00 40.23 H new ATOM 0 HB2 GLU A 70 7.084 -14.287 7.362 1.00 33.53 H new ATOM 0 HB3 GLU A 70 6.146 -14.964 6.046 1.00 33.53 H new ATOM 0 HG2 GLU A 70 7.277 -13.441 4.436 1.00 13.33 H new ATOM 0 HG3 GLU A 70 8.193 -12.721 5.745 1.00 13.33 H new ATOM 1063 N SER A 71 4.628 -14.000 8.663 1.00 53.14 N ATOM 1064 CA SER A 71 3.598 -14.522 9.600 1.00 60.21 C ATOM 1065 C SER A 71 2.697 -13.390 10.135 1.00 24.13 C ATOM 1066 O SER A 71 1.483 -13.561 10.287 1.00 31.10 O ATOM 1067 CB SER A 71 4.270 -15.262 10.788 1.00 2.31 C ATOM 1068 OG SER A 71 5.088 -14.389 11.559 1.00 62.35 O ATOM 0 H SER A 71 5.576 -14.039 9.037 1.00 53.14 H new ATOM 0 HA SER A 71 2.974 -15.223 9.045 1.00 60.21 H new ATOM 0 HB2 SER A 71 3.502 -15.698 11.426 1.00 2.31 H new ATOM 0 HB3 SER A 71 4.874 -16.086 10.408 1.00 2.31 H new ATOM 0 HG SER A 71 5.493 -14.888 12.299 1.00 62.35 H new ATOM 1074 N ALA A 72 3.317 -12.225 10.398 1.00 40.12 N ATOM 1075 CA ALA A 72 2.616 -11.025 10.907 1.00 41.43 C ATOM 1076 C ALA A 72 1.759 -10.337 9.813 1.00 55.41 C ATOM 1077 O ALA A 72 0.848 -9.567 10.138 1.00 44.54 O ATOM 1078 CB ALA A 72 3.628 -10.040 11.503 1.00 51.25 C ATOM 0 H ALA A 72 4.319 -12.086 10.265 1.00 40.12 H new ATOM 0 HA ALA A 72 1.929 -11.351 11.688 1.00 41.43 H new ATOM 0 HB1 ALA A 72 3.103 -9.160 11.875 1.00 51.25 H new ATOM 0 HB2 ALA A 72 4.161 -10.519 12.324 1.00 51.25 H new ATOM 0 HB3 ALA A 72 4.340 -9.740 10.734 1.00 51.25 H new ATOM 1084 N ARG A 73 2.074 -10.629 8.527 1.00 33.20 N ATOM 1085 CA ARG A 73 1.357 -10.084 7.344 1.00 12.32 C ATOM 1086 C ARG A 73 1.326 -8.535 7.339 1.00 22.32 C ATOM 1087 O ARG A 73 0.309 -7.905 7.016 1.00 5.40 O ATOM 1088 CB ARG A 73 -0.067 -10.717 7.228 1.00 43.52 C ATOM 1089 CG ARG A 73 -0.038 -12.243 6.982 1.00 65.30 C ATOM 1090 CD ARG A 73 -1.434 -12.886 6.890 1.00 12.13 C ATOM 1091 NE ARG A 73 -1.326 -14.317 6.545 1.00 54.42 N ATOM 1092 CZ ARG A 73 -1.779 -15.331 7.253 1.00 62.54 C ATOM 1093 NH1 ARG A 73 -2.521 -15.151 8.309 1.00 2.50 N ATOM 1094 NH2 ARG A 73 -1.483 -16.530 6.883 1.00 32.31 N ATOM 0 H ARG A 73 2.840 -11.255 8.278 1.00 33.20 H new ATOM 0 HA ARG A 73 1.915 -10.368 6.452 1.00 12.32 H new ATOM 0 HB2 ARG A 73 -0.623 -10.514 8.143 1.00 43.52 H new ATOM 0 HB3 ARG A 73 -0.607 -10.234 6.413 1.00 43.52 H new ATOM 0 HG2 ARG A 73 0.505 -12.442 6.058 1.00 65.30 H new ATOM 0 HG3 ARG A 73 0.519 -12.721 7.788 1.00 65.30 H new ATOM 0 HD2 ARG A 73 -1.955 -12.774 7.841 1.00 12.13 H new ATOM 0 HD3 ARG A 73 -2.029 -12.369 6.137 1.00 12.13 H new ATOM 0 HE ARG A 73 -0.853 -14.543 5.670 1.00 54.42 H new ATOM 0 HH11 ARG A 73 -2.765 -14.206 8.606 1.00 2.50 H new ATOM 0 HH12 ARG A 73 -2.858 -15.955 8.839 1.00 2.50 H new ATOM 0 HH21 ARG A 73 -0.907 -16.681 6.055 1.00 32.31 H new ATOM 0 HH22 ARG A 73 -1.825 -17.328 7.419 1.00 32.31 H new ATOM 1108 N ARG A 74 2.497 -7.941 7.635 1.00 52.21 N ATOM 1109 CA ARG A 74 2.674 -6.482 7.765 1.00 1.22 C ATOM 1110 C ARG A 74 3.901 -6.005 6.930 1.00 51.43 C ATOM 1111 O ARG A 74 4.964 -6.603 6.974 1.00 51.42 O ATOM 1112 CB ARG A 74 2.801 -6.138 9.281 1.00 63.44 C ATOM 1113 CG ARG A 74 2.820 -4.626 9.631 1.00 23.33 C ATOM 1114 CD ARG A 74 4.235 -4.048 9.813 1.00 3.23 C ATOM 1115 NE ARG A 74 4.908 -4.563 11.024 1.00 5.42 N ATOM 1116 CZ ARG A 74 6.208 -4.517 11.246 1.00 42.33 C ATOM 1117 NH1 ARG A 74 7.026 -4.204 10.300 1.00 32.12 N ATOM 1118 NH2 ARG A 74 6.681 -4.870 12.386 1.00 51.22 N ATOM 0 H ARG A 74 3.357 -8.466 7.792 1.00 52.21 H new ATOM 0 HA ARG A 74 1.812 -5.949 7.364 1.00 1.22 H new ATOM 0 HB2 ARG A 74 1.970 -6.604 9.811 1.00 63.44 H new ATOM 0 HB3 ARG A 74 3.716 -6.591 9.662 1.00 63.44 H new ATOM 0 HG2 ARG A 74 2.311 -4.073 8.841 1.00 23.33 H new ATOM 0 HG3 ARG A 74 2.252 -4.468 10.548 1.00 23.33 H new ATOM 0 HD2 ARG A 74 4.837 -4.289 8.937 1.00 3.23 H new ATOM 0 HD3 ARG A 74 4.175 -2.961 9.870 1.00 3.23 H new ATOM 0 HE ARG A 74 4.322 -4.987 11.744 1.00 5.42 H new ATOM 0 HH11 ARG A 74 6.670 -3.989 9.369 1.00 32.12 H new ATOM 0 HH12 ARG A 74 8.029 -4.172 10.483 1.00 32.12 H new ATOM 0 HH21 ARG A 74 6.052 -5.187 13.123 1.00 51.22 H new ATOM 0 HH22 ARG A 74 7.686 -4.833 12.555 1.00 51.22 H new ATOM 1132 N LEU A 75 3.708 -4.954 6.124 1.00 74.40 N ATOM 1133 CA LEU A 75 4.754 -4.370 5.239 1.00 72.14 C ATOM 1134 C LEU A 75 4.998 -2.891 5.606 1.00 62.42 C ATOM 1135 O LEU A 75 4.067 -2.122 5.604 1.00 60.44 O ATOM 1136 CB LEU A 75 4.273 -4.486 3.755 1.00 60.02 C ATOM 1137 CG LEU A 75 5.115 -3.749 2.669 1.00 4.43 C ATOM 1138 CD1 LEU A 75 6.551 -4.284 2.632 1.00 54.30 C ATOM 1139 CD2 LEU A 75 4.443 -3.835 1.274 1.00 25.12 C ATOM 0 H LEU A 75 2.813 -4.470 6.059 1.00 74.40 H new ATOM 0 HA LEU A 75 5.691 -4.912 5.367 1.00 72.14 H new ATOM 0 HB2 LEU A 75 4.238 -5.544 3.494 1.00 60.02 H new ATOM 0 HB3 LEU A 75 3.251 -4.110 3.702 1.00 60.02 H new ATOM 0 HG LEU A 75 5.159 -2.695 2.942 1.00 4.43 H new ATOM 0 HD11 LEU A 75 7.117 -3.754 1.866 1.00 54.30 H new ATOM 0 HD12 LEU A 75 7.022 -4.130 3.603 1.00 54.30 H new ATOM 0 HD13 LEU A 75 6.537 -5.349 2.400 1.00 54.30 H new ATOM 0 HD21 LEU A 75 5.057 -3.311 0.542 1.00 25.12 H new ATOM 0 HD22 LEU A 75 4.343 -4.880 0.982 1.00 25.12 H new ATOM 0 HD23 LEU A 75 3.456 -3.374 1.317 1.00 25.12 H new ATOM 1151 N VAL A 76 6.246 -2.496 5.930 1.00 33.12 N ATOM 1152 CA VAL A 76 6.590 -1.067 6.186 1.00 54.41 C ATOM 1153 C VAL A 76 7.561 -0.530 5.115 1.00 50.10 C ATOM 1154 O VAL A 76 8.581 -1.157 4.809 1.00 44.44 O ATOM 1155 CB VAL A 76 7.242 -0.831 7.598 1.00 33.41 C ATOM 1156 CG1 VAL A 76 7.499 0.677 7.870 1.00 12.42 C ATOM 1157 CG2 VAL A 76 6.391 -1.444 8.721 1.00 31.22 C ATOM 0 H VAL A 76 7.034 -3.137 6.022 1.00 33.12 H new ATOM 0 HA VAL A 76 5.641 -0.531 6.149 1.00 54.41 H new ATOM 0 HB VAL A 76 8.207 -1.338 7.588 1.00 33.41 H new ATOM 0 HG11 VAL A 76 7.950 0.797 8.855 1.00 12.42 H new ATOM 0 HG12 VAL A 76 8.174 1.074 7.111 1.00 12.42 H new ATOM 0 HG13 VAL A 76 6.554 1.219 7.835 1.00 12.42 H new ATOM 0 HG21 VAL A 76 6.871 -1.262 9.682 1.00 31.22 H new ATOM 0 HG22 VAL A 76 5.401 -0.988 8.718 1.00 31.22 H new ATOM 0 HG23 VAL A 76 6.296 -2.518 8.561 1.00 31.22 H new ATOM 1167 N TYR A 77 7.242 0.652 4.577 1.00 13.30 N ATOM 1168 CA TYR A 77 8.119 1.386 3.654 1.00 43.23 C ATOM 1169 C TYR A 77 7.954 2.921 3.818 1.00 45.23 C ATOM 1170 O TYR A 77 7.112 3.399 4.590 1.00 34.23 O ATOM 1171 CB TYR A 77 7.862 0.939 2.187 1.00 11.44 C ATOM 1172 CG TYR A 77 6.439 1.196 1.654 1.00 51.55 C ATOM 1173 CD1 TYR A 77 6.105 2.410 1.043 1.00 13.44 C ATOM 1174 CD2 TYR A 77 5.438 0.222 1.751 1.00 51.13 C ATOM 1175 CE1 TYR A 77 4.839 2.641 0.559 1.00 30.54 C ATOM 1176 CE2 TYR A 77 4.164 0.454 1.264 1.00 21.41 C ATOM 1177 CZ TYR A 77 3.874 1.665 0.666 1.00 11.42 C ATOM 1178 OH TYR A 77 2.615 1.906 0.174 1.00 23.13 O ATOM 0 H TYR A 77 6.362 1.131 4.770 1.00 13.30 H new ATOM 0 HA TYR A 77 9.152 1.146 3.904 1.00 43.23 H new ATOM 0 HB2 TYR A 77 8.572 1.453 1.539 1.00 11.44 H new ATOM 0 HB3 TYR A 77 8.073 -0.127 2.108 1.00 11.44 H new ATOM 0 HD1 TYR A 77 6.856 3.180 0.950 1.00 13.44 H new ATOM 0 HD2 TYR A 77 5.664 -0.727 2.214 1.00 51.13 H new ATOM 0 HE1 TYR A 77 4.602 3.587 0.095 1.00 30.54 H new ATOM 0 HE2 TYR A 77 3.402 -0.306 1.351 1.00 21.41 H new ATOM 0 HH TYR A 77 2.118 1.063 0.120 1.00 23.13 H new ATOM 1188 N THR A 78 8.788 3.671 3.087 1.00 53.42 N ATOM 1189 CA THR A 78 8.755 5.154 3.035 1.00 30.02 C ATOM 1190 C THR A 78 9.251 5.631 1.663 1.00 73.24 C ATOM 1191 O THR A 78 10.130 5.002 1.093 1.00 62.14 O ATOM 1192 CB THR A 78 9.660 5.806 4.150 1.00 11.04 C ATOM 1193 OG1 THR A 78 9.653 7.236 4.016 1.00 4.13 O ATOM 1194 CG2 THR A 78 11.123 5.318 4.108 1.00 72.45 C ATOM 0 H THR A 78 9.520 3.267 2.503 1.00 53.42 H new ATOM 0 HA THR A 78 7.724 5.463 3.205 1.00 30.02 H new ATOM 0 HB THR A 78 9.233 5.499 5.105 1.00 11.04 H new ATOM 0 HG1 THR A 78 9.075 7.626 4.704 1.00 4.13 H new ATOM 0 HG21 THR A 78 11.692 5.804 4.900 1.00 72.45 H new ATOM 0 HG22 THR A 78 11.151 4.238 4.252 1.00 72.45 H new ATOM 0 HG23 THR A 78 11.562 5.566 3.142 1.00 72.45 H new ATOM 1202 N MET A 79 8.698 6.729 1.121 1.00 53.53 N ATOM 1203 CA MET A 79 9.214 7.328 -0.140 1.00 74.10 C ATOM 1204 C MET A 79 10.205 8.493 0.168 1.00 31.30 C ATOM 1205 O MET A 79 9.781 9.599 0.527 1.00 74.43 O ATOM 1206 CB MET A 79 8.040 7.745 -1.088 1.00 53.31 C ATOM 1207 CG MET A 79 6.949 8.633 -0.479 1.00 60.33 C ATOM 1208 SD MET A 79 5.592 8.936 -1.642 1.00 50.21 S ATOM 1209 CE MET A 79 4.436 9.887 -0.657 1.00 45.32 C ATOM 0 H MET A 79 7.902 7.222 1.525 1.00 53.53 H new ATOM 0 HA MET A 79 9.784 6.574 -0.682 1.00 74.10 H new ATOM 0 HB2 MET A 79 8.464 8.266 -1.946 1.00 53.31 H new ATOM 0 HB3 MET A 79 7.569 6.838 -1.467 1.00 53.31 H new ATOM 0 HG2 MET A 79 6.556 8.159 0.421 1.00 60.33 H new ATOM 0 HG3 MET A 79 7.384 9.585 -0.174 1.00 60.33 H new ATOM 0 HE1 MET A 79 3.441 9.449 -0.739 1.00 45.32 H new ATOM 0 HE2 MET A 79 4.752 9.876 0.386 1.00 45.32 H new ATOM 0 HE3 MET A 79 4.410 10.915 -1.018 1.00 45.32 H new ATOM 1219 N PRO A 80 11.572 8.248 0.074 1.00 55.43 N ATOM 1220 CA PRO A 80 12.609 9.283 0.360 1.00 33.10 C ATOM 1221 C PRO A 80 12.687 10.387 -0.726 1.00 52.00 C ATOM 1222 O PRO A 80 13.248 11.462 -0.492 1.00 33.51 O ATOM 1223 CB PRO A 80 13.921 8.453 0.423 1.00 63.11 C ATOM 1224 CG PRO A 80 13.669 7.296 -0.494 1.00 4.03 C ATOM 1225 CD PRO A 80 12.209 6.946 -0.295 1.00 61.22 C ATOM 0 HA PRO A 80 12.394 9.836 1.274 1.00 33.10 H new ATOM 0 HB2 PRO A 80 14.780 9.040 0.097 1.00 63.11 H new ATOM 0 HB3 PRO A 80 14.132 8.118 1.439 1.00 63.11 H new ATOM 0 HG2 PRO A 80 13.873 7.563 -1.531 1.00 4.03 H new ATOM 0 HG3 PRO A 80 14.314 6.452 -0.250 1.00 4.03 H new ATOM 0 HD2 PRO A 80 11.771 6.530 -1.202 1.00 61.22 H new ATOM 0 HD3 PRO A 80 12.080 6.202 0.491 1.00 61.22 H new ATOM 1233 N ASP A 81 12.116 10.106 -1.915 1.00 1.10 N ATOM 1234 CA ASP A 81 12.060 11.064 -3.037 1.00 74.23 C ATOM 1235 C ASP A 81 10.615 11.104 -3.629 1.00 24.13 C ATOM 1236 O ASP A 81 10.315 10.416 -4.620 1.00 21.32 O ATOM 1237 CB ASP A 81 13.139 10.673 -4.089 1.00 34.32 C ATOM 1238 CG ASP A 81 13.246 11.636 -5.284 1.00 54.32 C ATOM 1239 OD1 ASP A 81 13.738 12.769 -5.101 1.00 32.13 O ATOM 1240 OD2 ASP A 81 12.851 11.264 -6.417 1.00 34.34 O ATOM 0 H ASP A 81 11.681 9.208 -2.124 1.00 1.10 H new ATOM 0 HA ASP A 81 12.284 12.075 -2.696 1.00 74.23 H new ATOM 0 HB2 ASP A 81 14.108 10.620 -3.594 1.00 34.32 H new ATOM 0 HB3 ASP A 81 12.918 9.673 -4.463 1.00 34.32 H new ATOM 1245 N PRO A 82 9.664 11.843 -2.954 1.00 23.14 N ATOM 1246 CA PRO A 82 8.287 12.056 -3.458 1.00 55.02 C ATOM 1247 C PRO A 82 8.091 13.404 -4.224 1.00 61.05 C ATOM 1248 O PRO A 82 8.835 14.370 -4.001 1.00 75.22 O ATOM 1249 CB PRO A 82 7.476 12.049 -2.138 1.00 11.44 C ATOM 1250 CG PRO A 82 8.390 12.685 -1.116 1.00 75.32 C ATOM 1251 CD PRO A 82 9.825 12.470 -1.608 1.00 53.53 C ATOM 0 HA PRO A 82 7.993 11.307 -4.194 1.00 55.02 H new ATOM 0 HB2 PRO A 82 6.548 12.611 -2.242 1.00 11.44 H new ATOM 0 HB3 PRO A 82 7.204 11.034 -1.847 1.00 11.44 H new ATOM 0 HG2 PRO A 82 8.173 13.748 -1.012 1.00 75.32 H new ATOM 0 HG3 PRO A 82 8.246 12.233 -0.135 1.00 75.32 H new ATOM 0 HD2 PRO A 82 10.369 13.412 -1.671 1.00 53.53 H new ATOM 0 HD3 PRO A 82 10.384 11.823 -0.932 1.00 53.53 H new ATOM 1259 N PRO A 83 7.080 13.491 -5.155 1.00 33.14 N ATOM 1260 CA PRO A 83 6.655 14.789 -5.741 1.00 53.33 C ATOM 1261 C PRO A 83 5.831 15.660 -4.736 1.00 71.04 C ATOM 1262 O PRO A 83 5.697 16.869 -4.922 1.00 5.04 O ATOM 1263 CB PRO A 83 5.795 14.354 -6.958 1.00 34.25 C ATOM 1264 CG PRO A 83 5.228 13.022 -6.555 1.00 71.51 C ATOM 1265 CD PRO A 83 6.320 12.344 -5.746 1.00 55.40 C ATOM 0 HA PRO A 83 7.500 15.423 -6.010 1.00 53.33 H new ATOM 0 HB2 PRO A 83 5.005 15.076 -7.165 1.00 34.25 H new ATOM 0 HB3 PRO A 83 6.398 14.272 -7.862 1.00 34.25 H new ATOM 0 HG2 PRO A 83 4.320 13.144 -5.964 1.00 71.51 H new ATOM 0 HG3 PRO A 83 4.961 12.428 -7.429 1.00 71.51 H new ATOM 0 HD2 PRO A 83 5.904 11.697 -4.973 1.00 55.40 H new ATOM 0 HD3 PRO A 83 6.957 11.721 -6.374 1.00 55.40 H new ATOM 1273 N PHE A 84 5.311 15.019 -3.665 1.00 24.22 N ATOM 1274 CA PHE A 84 4.420 15.667 -2.664 1.00 65.11 C ATOM 1275 C PHE A 84 5.224 16.502 -1.617 1.00 2.32 C ATOM 1276 O PHE A 84 6.316 16.083 -1.207 1.00 75.21 O ATOM 1277 CB PHE A 84 3.570 14.575 -1.952 1.00 12.52 C ATOM 1278 CG PHE A 84 2.744 13.721 -2.922 1.00 33.13 C ATOM 1279 CD1 PHE A 84 1.586 14.229 -3.514 1.00 1.25 C ATOM 1280 CD2 PHE A 84 3.134 12.419 -3.254 1.00 51.50 C ATOM 1281 CE1 PHE A 84 0.848 13.467 -4.403 1.00 34.21 C ATOM 1282 CE2 PHE A 84 2.392 11.658 -4.140 1.00 14.53 C ATOM 1283 CZ PHE A 84 1.250 12.182 -4.717 1.00 51.53 C ATOM 0 H PHE A 84 5.495 14.036 -3.466 1.00 24.22 H new ATOM 0 HA PHE A 84 3.765 16.362 -3.190 1.00 65.11 H new ATOM 0 HB2 PHE A 84 4.232 13.925 -1.380 1.00 12.52 H new ATOM 0 HB3 PHE A 84 2.899 15.054 -1.239 1.00 12.52 H new ATOM 0 HD1 PHE A 84 1.261 15.231 -3.275 1.00 1.25 H new ATOM 0 HD2 PHE A 84 4.027 12.002 -2.812 1.00 51.50 H new ATOM 0 HE1 PHE A 84 -0.044 13.877 -4.853 1.00 34.21 H new ATOM 0 HE2 PHE A 84 2.705 10.653 -4.381 1.00 14.53 H new ATOM 0 HZ PHE A 84 0.673 11.589 -5.411 1.00 51.53 H new ATOM 1293 N PRO A 85 4.695 17.703 -1.169 1.00 52.00 N ATOM 1294 CA PRO A 85 5.381 18.559 -0.158 1.00 10.21 C ATOM 1295 C PRO A 85 5.258 18.010 1.298 1.00 31.35 C ATOM 1296 O PRO A 85 4.438 18.477 2.103 1.00 54.42 O ATOM 1297 CB PRO A 85 4.679 19.931 -0.335 1.00 62.12 C ATOM 1298 CG PRO A 85 3.287 19.583 -0.777 1.00 5.10 C ATOM 1299 CD PRO A 85 3.415 18.325 -1.626 1.00 33.12 C ATOM 0 HA PRO A 85 6.459 18.604 -0.311 1.00 10.21 H new ATOM 0 HB2 PRO A 85 4.670 20.496 0.597 1.00 62.12 H new ATOM 0 HB3 PRO A 85 5.189 20.546 -1.076 1.00 62.12 H new ATOM 0 HG2 PRO A 85 2.638 19.410 0.081 1.00 5.10 H new ATOM 0 HG3 PRO A 85 2.845 20.397 -1.351 1.00 5.10 H new ATOM 0 HD2 PRO A 85 2.570 17.654 -1.474 1.00 33.12 H new ATOM 0 HD3 PRO A 85 3.445 18.563 -2.689 1.00 33.12 H new ATOM 1307 N ILE A 86 6.070 16.976 1.601 1.00 14.40 N ATOM 1308 CA ILE A 86 6.108 16.299 2.929 1.00 3.12 C ATOM 1309 C ILE A 86 7.575 16.106 3.408 1.00 71.32 C ATOM 1310 O ILE A 86 8.498 16.047 2.588 1.00 2.42 O ATOM 1311 CB ILE A 86 5.371 14.902 2.870 1.00 53.23 C ATOM 1312 CG1 ILE A 86 6.059 13.949 1.834 1.00 4.51 C ATOM 1313 CG2 ILE A 86 3.864 15.081 2.551 1.00 13.21 C ATOM 1314 CD1 ILE A 86 5.413 12.582 1.691 1.00 2.11 C ATOM 0 H ILE A 86 6.727 16.578 0.929 1.00 14.40 H new ATOM 0 HA ILE A 86 5.588 16.937 3.643 1.00 3.12 H new ATOM 0 HB ILE A 86 5.450 14.438 3.853 1.00 53.23 H new ATOM 0 HG12 ILE A 86 6.061 14.437 0.859 1.00 4.51 H new ATOM 0 HG13 ILE A 86 7.101 13.813 2.124 1.00 4.51 H new ATOM 0 HG21 ILE A 86 3.381 14.104 2.516 1.00 13.21 H new ATOM 0 HG22 ILE A 86 3.398 15.689 3.326 1.00 13.21 H new ATOM 0 HG23 ILE A 86 3.753 15.575 1.586 1.00 13.21 H new ATOM 0 HD11 ILE A 86 5.960 11.997 0.952 1.00 2.11 H new ATOM 0 HD12 ILE A 86 5.435 12.067 2.651 1.00 2.11 H new ATOM 0 HD13 ILE A 86 4.379 12.700 1.367 1.00 2.11 H new ATOM 1326 N THR A 87 7.792 16.009 4.738 1.00 40.14 N ATOM 1327 CA THR A 87 9.150 15.762 5.308 1.00 52.41 C ATOM 1328 C THR A 87 9.410 14.243 5.469 1.00 11.14 C ATOM 1329 O THR A 87 10.084 13.631 4.632 1.00 1.21 O ATOM 1330 CB THR A 87 9.357 16.497 6.678 1.00 44.52 C ATOM 1331 OG1 THR A 87 9.063 17.894 6.539 1.00 63.40 O ATOM 1332 CG2 THR A 87 10.784 16.333 7.241 1.00 51.11 C ATOM 0 H THR A 87 7.056 16.096 5.438 1.00 40.14 H new ATOM 0 HA THR A 87 9.872 16.172 4.602 1.00 52.41 H new ATOM 0 HB THR A 87 8.670 16.031 7.385 1.00 44.52 H new ATOM 0 HG1 THR A 87 8.364 18.146 7.178 1.00 63.40 H new ATOM 0 HG21 THR A 87 10.864 16.864 8.190 1.00 51.11 H new ATOM 0 HG22 THR A 87 10.994 15.275 7.398 1.00 51.11 H new ATOM 0 HG23 THR A 87 11.504 16.744 6.533 1.00 51.11 H new ATOM 1340 N ASN A 88 8.861 13.631 6.541 1.00 63.12 N ATOM 1341 CA ASN A 88 9.034 12.185 6.812 1.00 73.32 C ATOM 1342 C ASN A 88 7.733 11.407 6.509 1.00 21.03 C ATOM 1343 O ASN A 88 6.730 11.536 7.213 1.00 2.44 O ATOM 1344 CB ASN A 88 9.525 11.952 8.272 1.00 32.31 C ATOM 1345 CG ASN A 88 8.687 12.667 9.340 1.00 42.12 C ATOM 1346 OD1 ASN A 88 8.967 13.803 9.703 1.00 34.55 O ATOM 1347 ND2 ASN A 88 7.651 12.017 9.845 1.00 5.22 N ATOM 0 H ASN A 88 8.293 14.117 7.235 1.00 63.12 H new ATOM 0 HA ASN A 88 9.804 11.798 6.144 1.00 73.32 H new ATOM 0 HB2 ASN A 88 9.520 10.882 8.479 1.00 32.31 H new ATOM 0 HB3 ASN A 88 10.559 12.287 8.353 1.00 32.31 H new ATOM 0 HD21 ASN A 88 7.066 12.461 10.552 1.00 5.22 H new ATOM 0 HD22 ASN A 88 7.438 11.072 9.527 1.00 5.22 H new ATOM 1354 N HIS A 89 7.755 10.637 5.412 1.00 64.04 N ATOM 1355 CA HIS A 89 6.661 9.714 5.032 1.00 53.23 C ATOM 1356 C HIS A 89 6.813 8.343 5.748 1.00 24.22 C ATOM 1357 O HIS A 89 7.926 7.916 6.053 1.00 34.33 O ATOM 1358 CB HIS A 89 6.663 9.520 3.496 1.00 64.33 C ATOM 1359 CG HIS A 89 5.594 8.585 2.989 1.00 63.40 C ATOM 1360 ND1 HIS A 89 5.910 7.353 2.478 1.00 14.34 N ATOM 1361 CD2 HIS A 89 4.247 8.750 2.944 1.00 33.44 C ATOM 1362 CE1 HIS A 89 4.767 6.799 2.132 1.00 0.34 C ATOM 1363 NE2 HIS A 89 3.731 7.608 2.399 1.00 51.31 N ATOM 0 H HIS A 89 8.535 10.633 4.755 1.00 64.04 H new ATOM 0 HA HIS A 89 5.712 10.149 5.343 1.00 53.23 H new ATOM 0 HB2 HIS A 89 6.536 10.492 3.018 1.00 64.33 H new ATOM 0 HB3 HIS A 89 7.638 9.139 3.191 1.00 64.33 H new ATOM 0 HD2 HIS A 89 3.692 9.615 3.275 1.00 33.44 H new ATOM 0 HE1 HIS A 89 4.675 5.818 1.690 1.00 0.34 H new ATOM 0 HE2 HIS A 89 2.745 7.409 2.228 1.00 51.31 H new ATOM 1371 N ARG A 90 5.682 7.672 6.021 1.00 10.44 N ATOM 1372 CA ARG A 90 5.660 6.303 6.580 1.00 33.31 C ATOM 1373 C ARG A 90 4.352 5.584 6.166 1.00 10.41 C ATOM 1374 O ARG A 90 3.278 5.918 6.667 1.00 64.11 O ATOM 1375 CB ARG A 90 5.782 6.376 8.132 1.00 60.32 C ATOM 1376 CG ARG A 90 5.973 5.017 8.843 1.00 73.12 C ATOM 1377 CD ARG A 90 7.283 4.311 8.441 1.00 15.30 C ATOM 1378 NE ARG A 90 8.476 5.158 8.654 1.00 63.24 N ATOM 1379 CZ ARG A 90 9.685 4.720 8.933 1.00 12.33 C ATOM 1380 NH1 ARG A 90 9.915 3.466 9.175 1.00 65.34 N ATOM 1381 NH2 ARG A 90 10.660 5.558 9.016 1.00 0.11 N ATOM 0 H ARG A 90 4.753 8.061 5.861 1.00 10.44 H new ATOM 0 HA ARG A 90 6.502 5.733 6.187 1.00 33.31 H new ATOM 0 HB2 ARG A 90 6.624 7.021 8.384 1.00 60.32 H new ATOM 0 HB3 ARG A 90 4.885 6.852 8.529 1.00 60.32 H new ATOM 0 HG2 ARG A 90 5.966 5.172 9.922 1.00 73.12 H new ATOM 0 HG3 ARG A 90 5.129 4.368 8.609 1.00 73.12 H new ATOM 0 HD2 ARG A 90 7.387 3.392 9.018 1.00 15.30 H new ATOM 0 HD3 ARG A 90 7.229 4.024 7.391 1.00 15.30 H new ATOM 0 HE ARG A 90 8.351 6.168 8.578 1.00 63.24 H new ATOM 0 HH11 ARG A 90 9.149 2.793 9.152 1.00 65.34 H new ATOM 0 HH12 ARG A 90 10.862 3.153 9.389 1.00 65.34 H new ATOM 0 HH21 ARG A 90 10.492 6.553 8.866 1.00 0.11 H new ATOM 0 HH22 ARG A 90 11.600 5.227 9.232 1.00 0.11 H new ATOM 1395 N ALA A 91 4.437 4.618 5.231 1.00 14.30 N ATOM 1396 CA ALA A 91 3.265 3.827 4.777 1.00 3.04 C ATOM 1397 C ALA A 91 3.421 2.325 5.104 1.00 43.34 C ATOM 1398 O ALA A 91 4.514 1.764 5.011 1.00 54.24 O ATOM 1399 CB ALA A 91 3.024 4.029 3.278 1.00 11.50 C ATOM 0 H ALA A 91 5.310 4.362 4.769 1.00 14.30 H new ATOM 0 HA ALA A 91 2.396 4.192 5.324 1.00 3.04 H new ATOM 0 HB1 ALA A 91 2.161 3.441 2.966 1.00 11.50 H new ATOM 0 HB2 ALA A 91 2.835 5.084 3.079 1.00 11.50 H new ATOM 0 HB3 ALA A 91 3.904 3.706 2.721 1.00 11.50 H new ATOM 1405 N VAL A 92 2.298 1.686 5.485 1.00 14.15 N ATOM 1406 CA VAL A 92 2.252 0.275 5.926 1.00 11.01 C ATOM 1407 C VAL A 92 1.079 -0.490 5.237 1.00 23.35 C ATOM 1408 O VAL A 92 -0.037 0.018 5.160 1.00 53.44 O ATOM 1409 CB VAL A 92 2.078 0.192 7.504 1.00 24.24 C ATOM 1410 CG1 VAL A 92 1.976 -1.271 8.010 1.00 63.25 C ATOM 1411 CG2 VAL A 92 3.217 0.943 8.247 1.00 30.22 C ATOM 0 H VAL A 92 1.385 2.140 5.496 1.00 14.15 H new ATOM 0 HA VAL A 92 3.194 -0.192 5.639 1.00 11.01 H new ATOM 0 HB VAL A 92 1.134 0.687 7.733 1.00 24.24 H new ATOM 0 HG11 VAL A 92 1.858 -1.274 9.094 1.00 63.25 H new ATOM 0 HG12 VAL A 92 1.115 -1.756 7.550 1.00 63.25 H new ATOM 0 HG13 VAL A 92 2.883 -1.813 7.742 1.00 63.25 H new ATOM 0 HG21 VAL A 92 3.063 0.864 9.323 1.00 30.22 H new ATOM 0 HG22 VAL A 92 4.177 0.500 7.984 1.00 30.22 H new ATOM 0 HG23 VAL A 92 3.211 1.993 7.956 1.00 30.22 H new ATOM 1421 N LEU A 93 1.356 -1.716 4.740 1.00 23.41 N ATOM 1422 CA LEU A 93 0.312 -2.690 4.314 1.00 63.40 C ATOM 1423 C LEU A 93 0.012 -3.643 5.492 1.00 45.32 C ATOM 1424 O LEU A 93 0.908 -3.962 6.275 1.00 21.02 O ATOM 1425 CB LEU A 93 0.758 -3.524 3.051 1.00 25.25 C ATOM 1426 CG LEU A 93 0.075 -3.174 1.689 1.00 63.24 C ATOM 1427 CD1 LEU A 93 -1.461 -3.279 1.783 1.00 1.11 C ATOM 1428 CD2 LEU A 93 0.522 -1.800 1.174 1.00 1.42 C ATOM 0 H LEU A 93 2.308 -2.063 4.621 1.00 23.41 H new ATOM 0 HA LEU A 93 -0.582 -2.133 4.033 1.00 63.40 H new ATOM 0 HB2 LEU A 93 1.835 -3.405 2.930 1.00 25.25 H new ATOM 0 HB3 LEU A 93 0.575 -4.578 3.260 1.00 25.25 H new ATOM 0 HG LEU A 93 0.403 -3.914 0.958 1.00 63.24 H new ATOM 0 HD11 LEU A 93 -1.903 -3.029 0.818 1.00 1.11 H new ATOM 0 HD12 LEU A 93 -1.740 -4.296 2.057 1.00 1.11 H new ATOM 0 HD13 LEU A 93 -1.827 -2.586 2.540 1.00 1.11 H new ATOM 0 HD21 LEU A 93 0.028 -1.589 0.226 1.00 1.42 H new ATOM 0 HD22 LEU A 93 0.254 -1.034 1.901 1.00 1.42 H new ATOM 0 HD23 LEU A 93 1.602 -1.800 1.028 1.00 1.42 H new ATOM 1440 N GLU A 94 -1.242 -4.096 5.606 1.00 42.31 N ATOM 1441 CA GLU A 94 -1.650 -5.060 6.648 1.00 64.43 C ATOM 1442 C GLU A 94 -2.864 -5.878 6.169 1.00 4.10 C ATOM 1443 O GLU A 94 -3.927 -5.314 5.919 1.00 63.00 O ATOM 1444 CB GLU A 94 -2.004 -4.308 7.962 1.00 50.23 C ATOM 1445 CG GLU A 94 -2.377 -5.228 9.143 1.00 32.14 C ATOM 1446 CD GLU A 94 -2.964 -4.469 10.350 1.00 75.43 C ATOM 1447 OE1 GLU A 94 -4.179 -4.182 10.342 1.00 43.24 O ATOM 1448 OE2 GLU A 94 -2.221 -4.160 11.308 1.00 12.13 O ATOM 0 H GLU A 94 -2.001 -3.811 4.987 1.00 42.31 H new ATOM 0 HA GLU A 94 -0.820 -5.739 6.840 1.00 64.43 H new ATOM 0 HB2 GLU A 94 -1.154 -3.690 8.253 1.00 50.23 H new ATOM 0 HB3 GLU A 94 -2.837 -3.633 7.766 1.00 50.23 H new ATOM 0 HG2 GLU A 94 -3.101 -5.969 8.802 1.00 32.14 H new ATOM 0 HG3 GLU A 94 -1.489 -5.773 9.463 1.00 32.14 H new ATOM 1455 N VAL A 95 -2.713 -7.208 6.039 1.00 52.22 N ATOM 1456 CA VAL A 95 -3.829 -8.085 5.623 1.00 60.41 C ATOM 1457 C VAL A 95 -4.477 -8.736 6.870 1.00 22.54 C ATOM 1458 O VAL A 95 -3.858 -9.564 7.549 1.00 4.30 O ATOM 1459 CB VAL A 95 -3.364 -9.188 4.606 1.00 43.24 C ATOM 1460 CG1 VAL A 95 -4.574 -9.954 4.021 1.00 52.15 C ATOM 1461 CG2 VAL A 95 -2.503 -8.584 3.473 1.00 21.12 C ATOM 0 H VAL A 95 -1.836 -7.699 6.214 1.00 52.22 H new ATOM 0 HA VAL A 95 -4.567 -7.467 5.111 1.00 60.41 H new ATOM 0 HB VAL A 95 -2.746 -9.897 5.156 1.00 43.24 H new ATOM 0 HG11 VAL A 95 -4.221 -10.711 3.320 1.00 52.15 H new ATOM 0 HG12 VAL A 95 -5.125 -10.436 4.829 1.00 52.15 H new ATOM 0 HG13 VAL A 95 -5.230 -9.256 3.501 1.00 52.15 H new ATOM 0 HG21 VAL A 95 -2.198 -9.374 2.787 1.00 21.12 H new ATOM 0 HG22 VAL A 95 -3.085 -7.838 2.932 1.00 21.12 H new ATOM 0 HG23 VAL A 95 -1.618 -8.113 3.900 1.00 21.12 H new ATOM 1471 N VAL A 96 -5.728 -8.345 7.154 1.00 32.14 N ATOM 1472 CA VAL A 96 -6.491 -8.823 8.325 1.00 21.12 C ATOM 1473 C VAL A 96 -7.352 -10.059 7.948 1.00 35.11 C ATOM 1474 O VAL A 96 -8.187 -9.966 7.043 1.00 0.14 O ATOM 1475 CB VAL A 96 -7.437 -7.686 8.881 1.00 32.54 C ATOM 1476 CG1 VAL A 96 -8.249 -8.157 10.118 1.00 71.45 C ATOM 1477 CG2 VAL A 96 -6.639 -6.395 9.198 1.00 65.13 C ATOM 0 H VAL A 96 -6.246 -7.683 6.576 1.00 32.14 H new ATOM 0 HA VAL A 96 -5.773 -9.102 9.096 1.00 21.12 H new ATOM 0 HB VAL A 96 -8.154 -7.455 8.093 1.00 32.54 H new ATOM 0 HG11 VAL A 96 -8.885 -7.344 10.467 1.00 71.45 H new ATOM 0 HG12 VAL A 96 -8.869 -9.010 9.843 1.00 71.45 H new ATOM 0 HG13 VAL A 96 -7.563 -8.448 10.914 1.00 71.45 H new ATOM 0 HG21 VAL A 96 -7.318 -5.632 9.579 1.00 65.13 H new ATOM 0 HG22 VAL A 96 -5.879 -6.612 9.949 1.00 65.13 H new ATOM 0 HG23 VAL A 96 -6.158 -6.032 8.290 1.00 65.13 H new ATOM 1487 N PRO A 97 -7.154 -11.243 8.613 1.00 52.43 N ATOM 1488 CA PRO A 97 -8.061 -12.407 8.449 1.00 23.21 C ATOM 1489 C PRO A 97 -9.456 -12.160 9.098 1.00 2.14 C ATOM 1490 O PRO A 97 -9.686 -12.463 10.276 1.00 44.30 O ATOM 1491 CB PRO A 97 -7.276 -13.564 9.123 1.00 0.42 C ATOM 1492 CG PRO A 97 -6.402 -12.888 10.139 1.00 21.32 C ATOM 1493 CD PRO A 97 -6.022 -11.552 9.529 1.00 1.35 C ATOM 0 HA PRO A 97 -8.301 -12.621 7.407 1.00 23.21 H new ATOM 0 HB2 PRO A 97 -7.951 -14.279 9.594 1.00 0.42 H new ATOM 0 HB3 PRO A 97 -6.683 -14.117 8.395 1.00 0.42 H new ATOM 0 HG2 PRO A 97 -6.931 -12.752 11.082 1.00 21.32 H new ATOM 0 HG3 PRO A 97 -5.517 -13.486 10.354 1.00 21.32 H new ATOM 0 HD2 PRO A 97 -5.904 -10.783 10.292 1.00 1.35 H new ATOM 0 HD3 PRO A 97 -5.077 -11.613 8.990 1.00 1.35 H new ATOM 1501 N ARG A 98 -10.368 -11.557 8.308 1.00 60.43 N ATOM 1502 CA ARG A 98 -11.748 -11.217 8.739 1.00 35.42 C ATOM 1503 C ARG A 98 -12.655 -12.484 8.772 1.00 14.24 C ATOM 1504 O ARG A 98 -13.562 -12.606 9.604 1.00 23.13 O ATOM 1505 CB ARG A 98 -12.308 -10.115 7.775 1.00 34.21 C ATOM 1506 CG ARG A 98 -13.723 -9.549 8.112 1.00 32.42 C ATOM 1507 CD ARG A 98 -14.886 -10.257 7.375 1.00 32.25 C ATOM 1508 NE ARG A 98 -16.200 -9.762 7.832 1.00 35.52 N ATOM 1509 CZ ARG A 98 -17.196 -9.376 7.061 1.00 13.24 C ATOM 1510 NH1 ARG A 98 -17.087 -9.360 5.770 1.00 71.52 N ATOM 1511 NH2 ARG A 98 -18.302 -8.992 7.602 1.00 33.11 N ATOM 0 H ARG A 98 -10.170 -11.288 7.344 1.00 60.43 H new ATOM 0 HA ARG A 98 -11.736 -10.827 9.757 1.00 35.42 H new ATOM 0 HB2 ARG A 98 -11.603 -9.284 7.760 1.00 34.21 H new ATOM 0 HB3 ARG A 98 -12.337 -10.527 6.766 1.00 34.21 H new ATOM 0 HG2 ARG A 98 -13.887 -9.630 9.187 1.00 32.42 H new ATOM 0 HG3 ARG A 98 -13.745 -8.488 7.865 1.00 32.42 H new ATOM 0 HD2 ARG A 98 -14.789 -10.096 6.301 1.00 32.25 H new ATOM 0 HD3 ARG A 98 -14.823 -11.332 7.543 1.00 32.25 H new ATOM 0 HE ARG A 98 -16.351 -9.714 8.840 1.00 35.52 H new ATOM 0 HH11 ARG A 98 -16.215 -9.651 5.328 1.00 71.52 H new ATOM 0 HH12 ARG A 98 -17.873 -9.057 5.196 1.00 71.52 H new ATOM 0 HH21 ARG A 98 -18.399 -8.989 8.617 1.00 33.11 H new ATOM 0 HH22 ARG A 98 -19.080 -8.691 7.014 1.00 33.11 H new ATOM 1525 N ASP A 99 -12.361 -13.415 7.860 1.00 63.34 N ATOM 1526 CA ASP A 99 -13.123 -14.661 7.623 1.00 53.14 C ATOM 1527 C ASP A 99 -12.190 -15.679 6.905 1.00 11.34 C ATOM 1528 O ASP A 99 -11.081 -15.313 6.502 1.00 23.43 O ATOM 1529 CB ASP A 99 -14.397 -14.318 6.785 1.00 35.43 C ATOM 1530 CG ASP A 99 -15.182 -15.533 6.262 1.00 1.34 C ATOM 1531 OD1 ASP A 99 -15.920 -16.158 7.046 1.00 20.42 O ATOM 1532 OD2 ASP A 99 -15.038 -15.878 5.061 1.00 63.33 O ATOM 0 H ASP A 99 -11.557 -13.325 7.239 1.00 63.34 H new ATOM 0 HA ASP A 99 -13.457 -15.115 8.556 1.00 53.14 H new ATOM 0 HB2 ASP A 99 -15.063 -13.711 7.398 1.00 35.43 H new ATOM 0 HB3 ASP A 99 -14.099 -13.704 5.935 1.00 35.43 H new ATOM 1537 N ASP A 100 -12.637 -16.942 6.768 1.00 30.23 N ATOM 1538 CA ASP A 100 -11.872 -18.019 6.088 1.00 44.30 C ATOM 1539 C ASP A 100 -11.442 -17.624 4.649 1.00 12.32 C ATOM 1540 O ASP A 100 -10.257 -17.700 4.305 1.00 61.23 O ATOM 1541 CB ASP A 100 -12.717 -19.314 6.046 1.00 61.24 C ATOM 1542 CG ASP A 100 -13.140 -19.775 7.450 1.00 4.54 C ATOM 1543 OD1 ASP A 100 -12.359 -20.488 8.118 1.00 52.24 O ATOM 1544 OD2 ASP A 100 -14.246 -19.409 7.903 1.00 61.12 O ATOM 0 H ASP A 100 -13.541 -17.251 7.125 1.00 30.23 H new ATOM 0 HA ASP A 100 -10.961 -18.184 6.664 1.00 44.30 H new ATOM 0 HB2 ASP A 100 -13.605 -19.147 5.437 1.00 61.24 H new ATOM 0 HB3 ASP A 100 -12.143 -20.105 5.563 1.00 61.24 H new ATOM 1549 N ARG A 101 -12.409 -17.187 3.821 1.00 73.11 N ATOM 1550 CA ARG A 101 -12.135 -16.776 2.419 1.00 24.33 C ATOM 1551 C ARG A 101 -12.532 -15.285 2.190 1.00 34.42 C ATOM 1552 O ARG A 101 -12.773 -14.847 1.061 1.00 33.34 O ATOM 1553 CB ARG A 101 -12.873 -17.736 1.431 1.00 12.21 C ATOM 1554 CG ARG A 101 -12.366 -17.657 -0.031 1.00 42.33 C ATOM 1555 CD ARG A 101 -13.163 -18.531 -1.014 1.00 62.21 C ATOM 1556 NE ARG A 101 -12.690 -18.351 -2.399 1.00 11.42 N ATOM 1557 CZ ARG A 101 -12.782 -19.241 -3.363 1.00 34.25 C ATOM 1558 NH1 ARG A 101 -13.257 -20.430 -3.148 1.00 63.30 N ATOM 1559 NH2 ARG A 101 -12.369 -18.940 -4.548 1.00 71.51 N ATOM 0 H ARG A 101 -13.389 -17.107 4.093 1.00 73.11 H new ATOM 0 HA ARG A 101 -11.065 -16.852 2.226 1.00 24.33 H new ATOM 0 HB2 ARG A 101 -12.762 -18.760 1.787 1.00 12.21 H new ATOM 0 HB3 ARG A 101 -13.938 -17.506 1.447 1.00 12.21 H new ATOM 0 HG2 ARG A 101 -12.409 -16.620 -0.365 1.00 42.33 H new ATOM 0 HG3 ARG A 101 -11.319 -17.958 -0.059 1.00 42.33 H new ATOM 0 HD2 ARG A 101 -13.070 -19.579 -0.729 1.00 62.21 H new ATOM 0 HD3 ARG A 101 -14.221 -18.277 -0.953 1.00 62.21 H new ATOM 0 HE ARG A 101 -12.253 -17.458 -2.630 1.00 11.42 H new ATOM 0 HH11 ARG A 101 -13.570 -20.693 -2.213 1.00 63.30 H new ATOM 0 HH12 ARG A 101 -13.317 -21.101 -3.914 1.00 63.30 H new ATOM 0 HH21 ARG A 101 -11.975 -18.017 -4.732 1.00 71.51 H new ATOM 0 HH22 ARG A 101 -12.437 -19.625 -5.301 1.00 71.51 H new ATOM 1573 N HIS A 102 -12.575 -14.494 3.274 1.00 62.30 N ATOM 1574 CA HIS A 102 -12.742 -13.027 3.192 1.00 15.42 C ATOM 1575 C HIS A 102 -11.707 -12.345 4.098 1.00 32.31 C ATOM 1576 O HIS A 102 -11.678 -12.577 5.302 1.00 73.12 O ATOM 1577 CB HIS A 102 -14.179 -12.576 3.569 1.00 44.34 C ATOM 1578 CG HIS A 102 -15.246 -13.041 2.616 1.00 34.51 C ATOM 1579 ND1 HIS A 102 -16.135 -14.052 2.913 1.00 22.13 N ATOM 1580 CD2 HIS A 102 -15.586 -12.600 1.382 1.00 34.54 C ATOM 1581 CE1 HIS A 102 -16.969 -14.211 1.912 1.00 32.13 C ATOM 1582 NE2 HIS A 102 -16.660 -13.346 0.972 1.00 12.33 N ATOM 0 H HIS A 102 -12.496 -14.847 4.228 1.00 62.30 H new ATOM 0 HA HIS A 102 -12.581 -12.727 2.157 1.00 15.42 H new ATOM 0 HB2 HIS A 102 -14.413 -12.947 4.567 1.00 44.34 H new ATOM 0 HB3 HIS A 102 -14.204 -11.487 3.620 1.00 44.34 H new ATOM 0 HD2 HIS A 102 -15.103 -11.810 0.826 1.00 34.54 H new ATOM 0 HE1 HIS A 102 -17.773 -14.931 1.868 1.00 32.13 H new ATOM 0 HE2 HIS A 102 -17.143 -13.246 0.079 1.00 12.33 H new ATOM 1591 N CYS A 103 -10.868 -11.492 3.505 1.00 14.42 N ATOM 1592 CA CYS A 103 -9.786 -10.792 4.230 1.00 41.14 C ATOM 1593 C CYS A 103 -9.871 -9.285 3.954 1.00 3.25 C ATOM 1594 O CYS A 103 -10.148 -8.864 2.826 1.00 1.23 O ATOM 1595 CB CYS A 103 -8.405 -11.333 3.801 1.00 74.13 C ATOM 1596 SG CYS A 103 -7.971 -10.997 2.085 1.00 35.34 S ATOM 0 H CYS A 103 -10.913 -11.263 2.512 1.00 14.42 H new ATOM 0 HA CYS A 103 -9.907 -10.970 5.298 1.00 41.14 H new ATOM 0 HB2 CYS A 103 -7.642 -10.899 4.447 1.00 74.13 H new ATOM 0 HB3 CYS A 103 -8.385 -12.411 3.963 1.00 74.13 H new ATOM 0 HG CYS A 103 -8.387 -11.973 1.333 1.00 35.34 H new ATOM 1602 N THR A 104 -9.670 -8.475 5.001 1.00 14.41 N ATOM 1603 CA THR A 104 -9.686 -7.009 4.880 1.00 15.30 C ATOM 1604 C THR A 104 -8.250 -6.483 4.720 1.00 64.01 C ATOM 1605 O THR A 104 -7.465 -6.516 5.668 1.00 1.50 O ATOM 1606 CB THR A 104 -10.368 -6.338 6.117 1.00 73.11 C ATOM 1607 OG1 THR A 104 -11.675 -6.905 6.315 1.00 14.41 O ATOM 1608 CG2 THR A 104 -10.498 -4.812 5.936 1.00 14.53 C ATOM 0 H THR A 104 -9.493 -8.811 5.948 1.00 14.41 H new ATOM 0 HA THR A 104 -10.270 -6.750 3.997 1.00 15.30 H new ATOM 0 HB THR A 104 -9.739 -6.526 6.987 1.00 73.11 H new ATOM 0 HG1 THR A 104 -12.100 -6.484 7.092 1.00 14.41 H new ATOM 0 HG21 THR A 104 -10.976 -4.381 6.815 1.00 14.53 H new ATOM 0 HG22 THR A 104 -9.507 -4.375 5.811 1.00 14.53 H new ATOM 0 HG23 THR A 104 -11.102 -4.600 5.054 1.00 14.53 H new ATOM 1616 N VAL A 105 -7.910 -5.989 3.515 1.00 31.23 N ATOM 1617 CA VAL A 105 -6.565 -5.446 3.238 1.00 3.43 C ATOM 1618 C VAL A 105 -6.552 -3.943 3.561 1.00 74.24 C ATOM 1619 O VAL A 105 -7.162 -3.130 2.855 1.00 51.22 O ATOM 1620 CB VAL A 105 -6.113 -5.693 1.754 1.00 45.14 C ATOM 1621 CG1 VAL A 105 -4.642 -5.244 1.518 1.00 52.12 C ATOM 1622 CG2 VAL A 105 -6.305 -7.175 1.370 1.00 11.53 C ATOM 0 H VAL A 105 -8.546 -5.954 2.718 1.00 31.23 H new ATOM 0 HA VAL A 105 -5.852 -5.971 3.873 1.00 3.43 H new ATOM 0 HB VAL A 105 -6.745 -5.083 1.109 1.00 45.14 H new ATOM 0 HG11 VAL A 105 -4.367 -5.431 0.480 1.00 52.12 H new ATOM 0 HG12 VAL A 105 -4.548 -4.179 1.732 1.00 52.12 H new ATOM 0 HG13 VAL A 105 -3.980 -5.807 2.176 1.00 52.12 H new ATOM 0 HG21 VAL A 105 -5.987 -7.328 0.339 1.00 11.53 H new ATOM 0 HG22 VAL A 105 -5.707 -7.803 2.031 1.00 11.53 H new ATOM 0 HG23 VAL A 105 -7.357 -7.443 1.469 1.00 11.53 H new ATOM 1632 N VAL A 106 -5.864 -3.601 4.650 1.00 4.14 N ATOM 1633 CA VAL A 106 -5.785 -2.239 5.181 1.00 31.42 C ATOM 1634 C VAL A 106 -4.476 -1.585 4.698 1.00 53.34 C ATOM 1635 O VAL A 106 -3.379 -2.014 5.080 1.00 22.45 O ATOM 1636 CB VAL A 106 -5.840 -2.236 6.755 1.00 24.53 C ATOM 1637 CG1 VAL A 106 -5.758 -0.797 7.336 1.00 64.50 C ATOM 1638 CG2 VAL A 106 -7.103 -2.976 7.267 1.00 33.42 C ATOM 0 H VAL A 106 -5.334 -4.277 5.200 1.00 4.14 H new ATOM 0 HA VAL A 106 -6.641 -1.671 4.817 1.00 31.42 H new ATOM 0 HB VAL A 106 -4.963 -2.776 7.112 1.00 24.53 H new ATOM 0 HG11 VAL A 106 -5.799 -0.841 8.424 1.00 64.50 H new ATOM 0 HG12 VAL A 106 -4.822 -0.333 7.027 1.00 64.50 H new ATOM 0 HG13 VAL A 106 -6.596 -0.206 6.965 1.00 64.50 H new ATOM 0 HG21 VAL A 106 -7.117 -2.960 8.357 1.00 33.42 H new ATOM 0 HG22 VAL A 106 -7.995 -2.480 6.885 1.00 33.42 H new ATOM 0 HG23 VAL A 106 -7.085 -4.009 6.920 1.00 33.42 H new ATOM 1648 N TRP A 107 -4.598 -0.566 3.837 1.00 15.14 N ATOM 1649 CA TRP A 107 -3.444 0.208 3.353 1.00 54.14 C ATOM 1650 C TRP A 107 -3.426 1.575 4.071 1.00 4.35 C ATOM 1651 O TRP A 107 -4.352 2.378 3.933 1.00 50.54 O ATOM 1652 CB TRP A 107 -3.500 0.376 1.813 1.00 12.13 C ATOM 1653 CG TRP A 107 -2.206 0.845 1.166 1.00 34.24 C ATOM 1654 CD1 TRP A 107 -1.094 1.381 1.773 1.00 32.35 C ATOM 1655 CD2 TRP A 107 -1.908 0.813 -0.229 1.00 11.45 C ATOM 1656 NE1 TRP A 107 -0.144 1.680 0.840 1.00 71.05 N ATOM 1657 CE2 TRP A 107 -0.616 1.343 -0.398 1.00 44.33 C ATOM 1658 CE3 TRP A 107 -2.613 0.390 -1.349 1.00 63.42 C ATOM 1659 CZ2 TRP A 107 -0.015 1.460 -1.646 1.00 3.32 C ATOM 1660 CZ3 TRP A 107 -2.021 0.509 -2.583 1.00 23.30 C ATOM 1661 CH2 TRP A 107 -0.731 1.037 -2.726 1.00 15.41 C ATOM 0 H TRP A 107 -5.492 -0.255 3.458 1.00 15.14 H new ATOM 0 HA TRP A 107 -2.521 -0.326 3.581 1.00 54.14 H new ATOM 0 HB2 TRP A 107 -3.784 -0.578 1.369 1.00 12.13 H new ATOM 0 HB3 TRP A 107 -4.288 1.088 1.570 1.00 12.13 H new ATOM 0 HD1 TRP A 107 -0.988 1.542 2.836 1.00 32.35 H new ATOM 0 HE1 TRP A 107 0.770 2.089 1.035 1.00 71.05 H new ATOM 0 HE3 TRP A 107 -3.606 -0.024 -1.252 1.00 63.42 H new ATOM 0 HZ2 TRP A 107 0.978 1.869 -1.755 1.00 3.32 H new ATOM 0 HZ3 TRP A 107 -2.561 0.189 -3.462 1.00 23.30 H new ATOM 0 HH2 TRP A 107 -0.295 1.110 -3.712 1.00 15.41 H new ATOM 1672 N THR A 108 -2.349 1.822 4.812 1.00 4.40 N ATOM 1673 CA THR A 108 -2.189 3.007 5.668 1.00 21.04 C ATOM 1674 C THR A 108 -0.956 3.821 5.219 1.00 74.53 C ATOM 1675 O THR A 108 -0.002 3.270 4.677 1.00 31.24 O ATOM 1676 CB THR A 108 -2.039 2.573 7.172 1.00 31.04 C ATOM 1677 OG1 THR A 108 -3.158 1.747 7.547 1.00 22.43 O ATOM 1678 CG2 THR A 108 -1.951 3.775 8.143 1.00 55.13 C ATOM 0 H THR A 108 -1.544 1.196 4.839 1.00 4.40 H new ATOM 0 HA THR A 108 -3.076 3.634 5.574 1.00 21.04 H new ATOM 0 HB THR A 108 -1.102 2.022 7.251 1.00 31.04 H new ATOM 0 HG1 THR A 108 -3.064 1.475 8.484 1.00 22.43 H new ATOM 0 HG21 THR A 108 -1.849 3.410 9.165 1.00 55.13 H new ATOM 0 HG22 THR A 108 -1.086 4.386 7.888 1.00 55.13 H new ATOM 0 HG23 THR A 108 -2.857 4.376 8.061 1.00 55.13 H new ATOM 1686 N ALA A 109 -1.016 5.140 5.414 1.00 4.12 N ATOM 1687 CA ALA A 109 0.116 6.062 5.236 1.00 43.12 C ATOM 1688 C ALA A 109 0.009 7.195 6.261 1.00 42.23 C ATOM 1689 O ALA A 109 -1.064 7.454 6.793 1.00 4.31 O ATOM 1690 CB ALA A 109 0.163 6.633 3.805 1.00 4.02 C ATOM 0 H ALA A 109 -1.872 5.611 5.707 1.00 4.12 H new ATOM 0 HA ALA A 109 1.042 5.509 5.394 1.00 43.12 H new ATOM 0 HB1 ALA A 109 1.012 7.310 3.711 1.00 4.02 H new ATOM 0 HB2 ALA A 109 0.269 5.816 3.091 1.00 4.02 H new ATOM 0 HB3 ALA A 109 -0.759 7.177 3.600 1.00 4.02 H new ATOM 1696 N MET A 110 1.139 7.842 6.548 1.00 41.33 N ATOM 1697 CA MET A 110 1.211 9.005 7.457 1.00 71.32 C ATOM 1698 C MET A 110 2.516 9.775 7.213 1.00 75.03 C ATOM 1699 O MET A 110 3.587 9.181 7.108 1.00 13.44 O ATOM 1700 CB MET A 110 1.069 8.574 8.953 1.00 34.30 C ATOM 1701 CG MET A 110 1.895 7.349 9.355 1.00 11.01 C ATOM 1702 SD MET A 110 1.655 6.889 11.085 1.00 41.23 S ATOM 1703 CE MET A 110 2.571 5.350 11.176 1.00 72.52 C ATOM 0 H MET A 110 2.043 7.577 6.156 1.00 41.33 H new ATOM 0 HA MET A 110 0.372 9.667 7.241 1.00 71.32 H new ATOM 0 HB2 MET A 110 1.359 9.413 9.586 1.00 34.30 H new ATOM 0 HB3 MET A 110 0.018 8.368 9.158 1.00 34.30 H new ATOM 0 HG2 MET A 110 1.624 6.507 8.718 1.00 11.01 H new ATOM 0 HG3 MET A 110 2.951 7.554 9.180 1.00 11.01 H new ATOM 0 HE1 MET A 110 2.511 4.950 12.188 1.00 72.52 H new ATOM 0 HE2 MET A 110 2.145 4.631 10.476 1.00 72.52 H new ATOM 0 HE3 MET A 110 3.615 5.532 10.919 1.00 72.52 H new ATOM 1713 N PHE A 111 2.414 11.106 7.133 1.00 1.02 N ATOM 1714 CA PHE A 111 3.527 11.977 6.703 1.00 60.11 C ATOM 1715 C PHE A 111 3.517 13.323 7.443 1.00 42.53 C ATOM 1716 O PHE A 111 2.464 13.792 7.894 1.00 70.21 O ATOM 1717 CB PHE A 111 3.510 12.170 5.148 1.00 53.43 C ATOM 1718 CG PHE A 111 2.121 12.358 4.516 1.00 64.22 C ATOM 1719 CD1 PHE A 111 1.348 13.493 4.776 1.00 41.31 C ATOM 1720 CD2 PHE A 111 1.593 11.395 3.647 1.00 25.15 C ATOM 1721 CE1 PHE A 111 0.104 13.655 4.195 1.00 41.11 C ATOM 1722 CE2 PHE A 111 0.353 11.561 3.069 1.00 54.44 C ATOM 1723 CZ PHE A 111 -0.391 12.691 3.341 1.00 55.10 C ATOM 0 H PHE A 111 1.561 11.615 7.363 1.00 1.02 H new ATOM 0 HA PHE A 111 4.460 11.481 6.969 1.00 60.11 H new ATOM 0 HB2 PHE A 111 4.122 13.038 4.901 1.00 53.43 H new ATOM 0 HB3 PHE A 111 3.985 11.304 4.687 1.00 53.43 H new ATOM 0 HD1 PHE A 111 1.728 14.255 5.441 1.00 41.31 H new ATOM 0 HD2 PHE A 111 2.167 10.507 3.426 1.00 25.15 H new ATOM 0 HE1 PHE A 111 -0.481 14.537 4.410 1.00 41.11 H new ATOM 0 HE2 PHE A 111 -0.037 10.806 2.402 1.00 54.44 H new ATOM 0 HZ PHE A 111 -1.361 12.821 2.885 1.00 55.10 H new ATOM 1733 N ASP A 112 4.711 13.932 7.574 1.00 1.24 N ATOM 1734 CA ASP A 112 4.861 15.265 8.172 1.00 13.33 C ATOM 1735 C ASP A 112 4.391 16.344 7.171 1.00 10.22 C ATOM 1736 O ASP A 112 5.165 16.814 6.323 1.00 40.42 O ATOM 1737 CB ASP A 112 6.328 15.488 8.609 1.00 33.45 C ATOM 1738 CG ASP A 112 6.553 16.827 9.345 1.00 12.42 C ATOM 1739 OD1 ASP A 112 6.348 16.880 10.574 1.00 42.51 O ATOM 1740 OD2 ASP A 112 6.917 17.835 8.694 1.00 44.52 O ATOM 0 H ASP A 112 5.590 13.514 7.270 1.00 1.24 H new ATOM 0 HA ASP A 112 4.236 15.340 9.062 1.00 13.33 H new ATOM 0 HB2 ASP A 112 6.634 14.669 9.260 1.00 33.45 H new ATOM 0 HB3 ASP A 112 6.971 15.453 7.729 1.00 33.45 H new ATOM 1745 N CYS A 113 3.089 16.654 7.231 1.00 25.32 N ATOM 1746 CA CYS A 113 2.476 17.743 6.432 1.00 73.13 C ATOM 1747 C CYS A 113 1.304 18.403 7.193 1.00 35.44 C ATOM 1748 O CYS A 113 0.808 17.862 8.191 1.00 60.40 O ATOM 1749 CB CYS A 113 2.004 17.202 5.064 1.00 62.15 C ATOM 1750 SG CYS A 113 1.481 18.475 3.891 1.00 0.32 S ATOM 0 H CYS A 113 2.426 16.163 7.831 1.00 25.32 H new ATOM 0 HA CYS A 113 3.233 18.508 6.262 1.00 73.13 H new ATOM 0 HB2 CYS A 113 2.814 16.625 4.617 1.00 62.15 H new ATOM 0 HB3 CYS A 113 1.175 16.514 5.227 1.00 62.15 H new ATOM 0 HG CYS A 113 2.441 18.706 3.045 1.00 0.32 H new ATOM 1756 N SER A 114 0.863 19.574 6.698 1.00 24.13 N ATOM 1757 CA SER A 114 -0.249 20.348 7.306 1.00 30.04 C ATOM 1758 C SER A 114 -1.601 19.601 7.169 1.00 72.03 C ATOM 1759 O SER A 114 -1.812 18.922 6.164 1.00 25.22 O ATOM 1760 CB SER A 114 -0.366 21.743 6.645 1.00 2.54 C ATOM 1761 OG SER A 114 -0.746 21.661 5.279 1.00 51.15 O ATOM 0 H SER A 114 1.262 20.014 5.869 1.00 24.13 H new ATOM 0 HA SER A 114 -0.021 20.465 8.366 1.00 30.04 H new ATOM 0 HB2 SER A 114 -1.098 22.340 7.189 1.00 2.54 H new ATOM 0 HB3 SER A 114 0.590 22.261 6.724 1.00 2.54 H new ATOM 0 HG SER A 114 -0.809 22.563 4.902 1.00 51.15 H new ATOM 1767 N PRO A 115 -2.542 19.712 8.178 1.00 24.43 N ATOM 1768 CA PRO A 115 -3.915 19.122 8.077 1.00 60.32 C ATOM 1769 C PRO A 115 -4.692 19.603 6.815 1.00 13.52 C ATOM 1770 O PRO A 115 -5.544 18.882 6.280 1.00 53.52 O ATOM 1771 CB PRO A 115 -4.616 19.592 9.389 1.00 30.32 C ATOM 1772 CG PRO A 115 -3.755 20.702 9.924 1.00 53.21 C ATOM 1773 CD PRO A 115 -2.343 20.376 9.497 1.00 32.51 C ATOM 0 HA PRO A 115 -3.881 18.038 7.971 1.00 60.32 H new ATOM 0 HB2 PRO A 115 -5.629 19.941 9.190 1.00 30.32 H new ATOM 0 HB3 PRO A 115 -4.696 18.775 10.107 1.00 30.32 H new ATOM 0 HG2 PRO A 115 -4.070 21.667 9.526 1.00 53.21 H new ATOM 0 HG3 PRO A 115 -3.830 20.765 11.010 1.00 53.21 H new ATOM 0 HD2 PRO A 115 -1.730 21.273 9.410 1.00 32.51 H new ATOM 0 HD3 PRO A 115 -1.846 19.718 10.210 1.00 32.51 H new ATOM 1781 N GLU A 116 -4.369 20.833 6.366 1.00 34.13 N ATOM 1782 CA GLU A 116 -4.943 21.456 5.154 1.00 40.45 C ATOM 1783 C GLU A 116 -4.567 20.679 3.869 1.00 34.41 C ATOM 1784 O GLU A 116 -5.440 20.310 3.077 1.00 3.12 O ATOM 1785 CB GLU A 116 -4.459 22.926 5.064 1.00 71.12 C ATOM 1786 CG GLU A 116 -4.875 23.797 6.268 1.00 0.53 C ATOM 1787 CD GLU A 116 -4.336 25.236 6.197 1.00 34.04 C ATOM 1788 OE1 GLU A 116 -4.935 26.071 5.486 1.00 62.11 O ATOM 1789 OE2 GLU A 116 -3.312 25.535 6.853 1.00 3.53 O ATOM 0 H GLU A 116 -3.693 21.430 6.841 1.00 34.13 H new ATOM 0 HA GLU A 116 -6.030 21.427 5.233 1.00 40.45 H new ATOM 0 HB2 GLU A 116 -3.372 22.936 4.980 1.00 71.12 H new ATOM 0 HB3 GLU A 116 -4.854 23.373 4.151 1.00 71.12 H new ATOM 0 HG2 GLU A 116 -5.963 23.827 6.326 1.00 0.53 H new ATOM 0 HG3 GLU A 116 -4.519 23.329 7.186 1.00 0.53 H new ATOM 1796 N THR A 117 -3.259 20.428 3.677 1.00 31.34 N ATOM 1797 CA THR A 117 -2.750 19.655 2.513 1.00 61.31 C ATOM 1798 C THR A 117 -3.088 18.150 2.661 1.00 13.22 C ATOM 1799 O THR A 117 -3.351 17.457 1.678 1.00 62.23 O ATOM 1800 CB THR A 117 -1.199 19.837 2.337 1.00 74.33 C ATOM 1801 OG1 THR A 117 -0.873 21.239 2.279 1.00 73.24 O ATOM 1802 CG2 THR A 117 -0.660 19.147 1.062 1.00 75.34 C ATOM 0 H THR A 117 -2.527 20.748 4.312 1.00 31.34 H new ATOM 0 HA THR A 117 -3.245 20.045 1.624 1.00 61.31 H new ATOM 0 HB THR A 117 -0.727 19.366 3.199 1.00 74.33 H new ATOM 0 HG1 THR A 117 -0.784 21.592 3.189 1.00 73.24 H new ATOM 0 HG21 THR A 117 0.416 19.305 0.990 1.00 75.34 H new ATOM 0 HG22 THR A 117 -0.868 18.078 1.111 1.00 75.34 H new ATOM 0 HG23 THR A 117 -1.148 19.571 0.185 1.00 75.34 H new ATOM 1810 N ALA A 118 -3.121 17.677 3.922 1.00 50.24 N ATOM 1811 CA ALA A 118 -3.380 16.256 4.260 1.00 42.01 C ATOM 1812 C ALA A 118 -4.827 15.832 3.917 1.00 0.14 C ATOM 1813 O ALA A 118 -5.059 14.678 3.562 1.00 55.04 O ATOM 1814 CB ALA A 118 -3.094 15.997 5.751 1.00 5.14 C ATOM 0 H ALA A 118 -2.969 18.268 4.740 1.00 50.24 H new ATOM 0 HA ALA A 118 -2.706 15.652 3.653 1.00 42.01 H new ATOM 0 HB1 ALA A 118 -3.289 14.950 5.982 1.00 5.14 H new ATOM 0 HB2 ALA A 118 -2.051 16.228 5.967 1.00 5.14 H new ATOM 0 HB3 ALA A 118 -3.739 16.629 6.361 1.00 5.14 H new ATOM 1820 N ARG A 119 -5.794 16.776 4.041 1.00 14.01 N ATOM 1821 CA ARG A 119 -7.213 16.531 3.682 1.00 52.14 C ATOM 1822 C ARG A 119 -7.378 16.374 2.146 1.00 71.01 C ATOM 1823 O ARG A 119 -8.194 15.573 1.675 1.00 23.41 O ATOM 1824 CB ARG A 119 -8.143 17.660 4.246 1.00 43.22 C ATOM 1825 CG ARG A 119 -8.355 18.905 3.339 1.00 31.41 C ATOM 1826 CD ARG A 119 -9.235 20.001 3.996 1.00 43.12 C ATOM 1827 NE ARG A 119 -8.500 20.831 4.981 1.00 45.42 N ATOM 1828 CZ ARG A 119 -8.516 20.696 6.293 1.00 4.25 C ATOM 1829 NH1 ARG A 119 -9.136 19.714 6.876 1.00 34.21 N ATOM 1830 NH2 ARG A 119 -7.883 21.563 7.017 1.00 14.30 N ATOM 0 H ARG A 119 -5.615 17.718 4.389 1.00 14.01 H new ATOM 0 HA ARG A 119 -7.520 15.593 4.145 1.00 52.14 H new ATOM 0 HB2 ARG A 119 -9.119 17.223 4.458 1.00 43.22 H new ATOM 0 HB3 ARG A 119 -7.731 17.997 5.197 1.00 43.22 H new ATOM 0 HG2 ARG A 119 -7.384 19.331 3.087 1.00 31.41 H new ATOM 0 HG3 ARG A 119 -8.818 18.590 2.404 1.00 31.41 H new ATOM 0 HD2 ARG A 119 -9.640 20.647 3.217 1.00 43.12 H new ATOM 0 HD3 ARG A 119 -10.083 19.528 4.491 1.00 43.12 H new ATOM 0 HE ARG A 119 -7.923 21.583 4.605 1.00 45.42 H new ATOM 0 HH11 ARG A 119 -9.630 19.019 6.316 1.00 34.21 H new ATOM 0 HH12 ARG A 119 -9.129 19.639 7.893 1.00 34.21 H new ATOM 0 HH21 ARG A 119 -7.384 22.333 6.571 1.00 14.30 H new ATOM 0 HH22 ARG A 119 -7.883 21.476 8.033 1.00 14.30 H new ATOM 1844 N GLU A 120 -6.575 17.148 1.382 1.00 11.31 N ATOM 1845 CA GLU A 120 -6.506 17.043 -0.092 1.00 13.20 C ATOM 1846 C GLU A 120 -5.939 15.667 -0.499 1.00 72.45 C ATOM 1847 O GLU A 120 -6.526 14.948 -1.312 1.00 42.50 O ATOM 1848 CB GLU A 120 -5.607 18.172 -0.658 1.00 12.01 C ATOM 1849 CG GLU A 120 -5.406 18.135 -2.188 1.00 0.33 C ATOM 1850 CD GLU A 120 -4.448 19.223 -2.699 1.00 61.51 C ATOM 1851 OE1 GLU A 120 -4.898 20.376 -2.898 1.00 35.11 O ATOM 1852 OE2 GLU A 120 -3.245 18.932 -2.901 1.00 42.02 O ATOM 0 H GLU A 120 -5.958 17.862 1.770 1.00 11.31 H new ATOM 0 HA GLU A 120 -7.511 17.146 -0.502 1.00 13.20 H new ATOM 0 HB2 GLU A 120 -6.042 19.134 -0.386 1.00 12.01 H new ATOM 0 HB3 GLU A 120 -4.631 18.116 -0.176 1.00 12.01 H new ATOM 0 HG2 GLU A 120 -5.020 17.157 -2.474 1.00 0.33 H new ATOM 0 HG3 GLU A 120 -6.373 18.252 -2.678 1.00 0.33 H new ATOM 1859 N LEU A 121 -4.816 15.299 0.141 1.00 30.34 N ATOM 1860 CA LEU A 121 -4.093 14.045 -0.134 1.00 52.44 C ATOM 1861 C LEU A 121 -4.880 12.818 0.379 1.00 1.24 C ATOM 1862 O LEU A 121 -4.709 11.719 -0.131 1.00 42.11 O ATOM 1863 CB LEU A 121 -2.670 14.098 0.485 1.00 72.34 C ATOM 1864 CG LEU A 121 -1.727 15.220 -0.072 1.00 44.53 C ATOM 1865 CD1 LEU A 121 -0.334 15.182 0.602 1.00 25.31 C ATOM 1866 CD2 LEU A 121 -1.607 15.138 -1.611 1.00 53.51 C ATOM 0 H LEU A 121 -4.381 15.867 0.868 1.00 30.34 H new ATOM 0 HA LEU A 121 -3.995 13.938 -1.214 1.00 52.44 H new ATOM 0 HB2 LEU A 121 -2.767 14.233 1.562 1.00 72.34 H new ATOM 0 HB3 LEU A 121 -2.189 13.133 0.327 1.00 72.34 H new ATOM 0 HG LEU A 121 -2.182 16.179 0.176 1.00 44.53 H new ATOM 0 HD11 LEU A 121 0.291 15.974 0.190 1.00 25.31 H new ATOM 0 HD12 LEU A 121 -0.445 15.329 1.676 1.00 25.31 H new ATOM 0 HD13 LEU A 121 0.134 14.216 0.415 1.00 25.31 H new ATOM 0 HD21 LEU A 121 -0.947 15.929 -1.967 1.00 53.51 H new ATOM 0 HD22 LEU A 121 -1.197 14.168 -1.893 1.00 53.51 H new ATOM 0 HD23 LEU A 121 -2.593 15.259 -2.060 1.00 53.51 H new ATOM 1878 N GLU A 122 -5.750 13.025 1.385 1.00 33.23 N ATOM 1879 CA GLU A 122 -6.669 11.983 1.910 1.00 11.15 C ATOM 1880 C GLU A 122 -7.568 11.428 0.773 1.00 33.23 C ATOM 1881 O GLU A 122 -7.805 10.223 0.685 1.00 35.31 O ATOM 1882 CB GLU A 122 -7.500 12.601 3.086 1.00 2.24 C ATOM 1883 CG GLU A 122 -8.409 11.635 3.897 1.00 23.42 C ATOM 1884 CD GLU A 122 -9.837 11.464 3.321 1.00 24.42 C ATOM 1885 OE1 GLU A 122 -10.696 12.324 3.586 1.00 51.13 O ATOM 1886 OE2 GLU A 122 -10.101 10.478 2.600 1.00 55.40 O ATOM 0 H GLU A 122 -5.840 13.922 1.862 1.00 33.23 H new ATOM 0 HA GLU A 122 -6.105 11.134 2.296 1.00 11.15 H new ATOM 0 HB2 GLU A 122 -6.804 13.073 3.780 1.00 2.24 H new ATOM 0 HB3 GLU A 122 -8.128 13.392 2.677 1.00 2.24 H new ATOM 0 HG2 GLU A 122 -7.930 10.657 3.943 1.00 23.42 H new ATOM 0 HG3 GLU A 122 -8.485 12.001 4.921 1.00 23.42 H new ATOM 1893 N SER A 123 -8.064 12.333 -0.082 1.00 1.13 N ATOM 1894 CA SER A 123 -8.792 11.957 -1.318 1.00 34.55 C ATOM 1895 C SER A 123 -7.835 11.478 -2.453 1.00 74.44 C ATOM 1896 O SER A 123 -8.061 10.420 -3.047 1.00 15.03 O ATOM 1897 CB SER A 123 -9.648 13.147 -1.806 1.00 65.24 C ATOM 1898 OG SER A 123 -10.416 12.802 -2.950 1.00 72.11 O ATOM 0 H SER A 123 -7.977 13.340 0.055 1.00 1.13 H new ATOM 0 HA SER A 123 -9.439 11.115 -1.071 1.00 34.55 H new ATOM 0 HB2 SER A 123 -10.312 13.471 -1.005 1.00 65.24 H new ATOM 0 HB3 SER A 123 -8.999 13.990 -2.043 1.00 65.24 H new ATOM 0 HG SER A 123 -10.947 13.575 -3.233 1.00 72.11 H new ATOM 1904 N VAL A 124 -6.772 12.260 -2.748 1.00 4.11 N ATOM 1905 CA VAL A 124 -5.868 12.001 -3.911 1.00 15.31 C ATOM 1906 C VAL A 124 -4.981 10.734 -3.720 1.00 25.41 C ATOM 1907 O VAL A 124 -5.008 9.814 -4.540 1.00 53.14 O ATOM 1908 CB VAL A 124 -4.943 13.259 -4.177 1.00 61.45 C ATOM 1909 CG1 VAL A 124 -3.949 13.014 -5.343 1.00 14.10 C ATOM 1910 CG2 VAL A 124 -5.794 14.526 -4.445 1.00 63.22 C ATOM 0 H VAL A 124 -6.512 13.080 -2.200 1.00 4.11 H new ATOM 0 HA VAL A 124 -6.513 11.820 -4.771 1.00 15.31 H new ATOM 0 HB VAL A 124 -4.355 13.420 -3.274 1.00 61.45 H new ATOM 0 HG11 VAL A 124 -3.335 13.902 -5.490 1.00 14.10 H new ATOM 0 HG12 VAL A 124 -3.308 12.166 -5.103 1.00 14.10 H new ATOM 0 HG13 VAL A 124 -4.505 12.802 -6.256 1.00 14.10 H new ATOM 0 HG21 VAL A 124 -5.135 15.376 -4.625 1.00 63.22 H new ATOM 0 HG22 VAL A 124 -6.423 14.363 -5.320 1.00 63.22 H new ATOM 0 HG23 VAL A 124 -6.423 14.732 -3.579 1.00 63.22 H new ATOM 1920 N ILE A 125 -4.201 10.696 -2.638 1.00 54.11 N ATOM 1921 CA ILE A 125 -3.331 9.541 -2.304 1.00 73.20 C ATOM 1922 C ILE A 125 -4.163 8.392 -1.675 1.00 45.43 C ATOM 1923 O ILE A 125 -3.966 7.218 -2.002 1.00 11.41 O ATOM 1924 CB ILE A 125 -2.157 9.966 -1.335 1.00 53.24 C ATOM 1925 CG1 ILE A 125 -1.285 11.097 -1.974 1.00 4.24 C ATOM 1926 CG2 ILE A 125 -1.279 8.755 -0.910 1.00 61.42 C ATOM 1927 CD1 ILE A 125 -0.140 11.593 -1.093 1.00 73.24 C ATOM 0 H ILE A 125 -4.147 11.458 -1.963 1.00 54.11 H new ATOM 0 HA ILE A 125 -2.887 9.182 -3.232 1.00 73.20 H new ATOM 0 HB ILE A 125 -2.616 10.360 -0.428 1.00 53.24 H new ATOM 0 HG12 ILE A 125 -0.871 10.731 -2.913 1.00 4.24 H new ATOM 0 HG13 ILE A 125 -1.930 11.941 -2.218 1.00 4.24 H new ATOM 0 HG21 ILE A 125 -0.486 9.096 -0.245 1.00 61.42 H new ATOM 0 HG22 ILE A 125 -1.897 8.022 -0.392 1.00 61.42 H new ATOM 0 HG23 ILE A 125 -0.838 8.297 -1.795 1.00 61.42 H new ATOM 0 HD11 ILE A 125 0.409 12.375 -1.617 1.00 73.24 H new ATOM 0 HD12 ILE A 125 -0.544 11.993 -0.163 1.00 73.24 H new ATOM 0 HD13 ILE A 125 0.532 10.765 -0.870 1.00 73.24 H new ATOM 1939 N GLY A 126 -5.090 8.752 -0.765 1.00 64.23 N ATOM 1940 CA GLY A 126 -5.962 7.772 -0.107 1.00 14.52 C ATOM 1941 C GLY A 126 -6.860 6.990 -1.079 1.00 13.11 C ATOM 1942 O GLY A 126 -6.698 5.787 -1.237 1.00 12.00 O ATOM 0 H GLY A 126 -5.250 9.716 -0.472 1.00 64.23 H new ATOM 0 HA2 GLY A 126 -5.345 7.067 0.450 1.00 14.52 H new ATOM 0 HA3 GLY A 126 -6.591 8.288 0.619 1.00 14.52 H new ATOM 1946 N ASP A 127 -7.807 7.663 -1.738 1.00 61.44 N ATOM 1947 CA ASP A 127 -8.729 6.988 -2.685 1.00 23.35 C ATOM 1948 C ASP A 127 -8.078 6.770 -4.074 1.00 32.10 C ATOM 1949 O ASP A 127 -8.069 5.643 -4.588 1.00 60.23 O ATOM 1950 CB ASP A 127 -10.055 7.772 -2.805 1.00 5.04 C ATOM 1951 CG ASP A 127 -10.816 7.840 -1.472 1.00 1.53 C ATOM 1952 OD1 ASP A 127 -11.052 6.770 -0.857 1.00 73.50 O ATOM 1953 OD2 ASP A 127 -11.175 8.944 -1.023 1.00 53.12 O ATOM 0 H ASP A 127 -7.963 8.666 -1.642 1.00 61.44 H new ATOM 0 HA ASP A 127 -8.949 6.000 -2.281 1.00 23.35 H new ATOM 0 HB2 ASP A 127 -9.846 8.783 -3.153 1.00 5.04 H new ATOM 0 HB3 ASP A 127 -10.687 7.300 -3.558 1.00 5.04 H new ATOM 1958 N GLY A 128 -7.507 7.847 -4.641 1.00 31.05 N ATOM 1959 CA GLY A 128 -6.963 7.838 -6.012 1.00 0.42 C ATOM 1960 C GLY A 128 -5.781 6.880 -6.244 1.00 30.21 C ATOM 1961 O GLY A 128 -5.559 6.435 -7.375 1.00 54.33 O ATOM 0 H GLY A 128 -7.409 8.744 -4.166 1.00 31.05 H new ATOM 0 HA2 GLY A 128 -7.765 7.573 -6.702 1.00 0.42 H new ATOM 0 HA3 GLY A 128 -6.645 8.849 -6.266 1.00 0.42 H new ATOM 1965 N VAL A 129 -5.007 6.568 -5.183 1.00 43.11 N ATOM 1966 CA VAL A 129 -3.889 5.590 -5.267 1.00 60.50 C ATOM 1967 C VAL A 129 -4.251 4.262 -4.554 1.00 3.01 C ATOM 1968 O VAL A 129 -4.253 3.191 -5.187 1.00 61.34 O ATOM 1969 CB VAL A 129 -2.545 6.165 -4.674 1.00 13.54 C ATOM 1970 CG1 VAL A 129 -1.379 5.141 -4.783 1.00 45.13 C ATOM 1971 CG2 VAL A 129 -2.166 7.506 -5.351 1.00 42.40 C ATOM 0 H VAL A 129 -5.132 6.976 -4.257 1.00 43.11 H new ATOM 0 HA VAL A 129 -3.731 5.394 -6.327 1.00 60.50 H new ATOM 0 HB VAL A 129 -2.716 6.354 -3.614 1.00 13.54 H new ATOM 0 HG11 VAL A 129 -0.472 5.576 -4.363 1.00 45.13 H new ATOM 0 HG12 VAL A 129 -1.636 4.237 -4.231 1.00 45.13 H new ATOM 0 HG13 VAL A 129 -1.211 4.891 -5.831 1.00 45.13 H new ATOM 0 HG21 VAL A 129 -1.236 7.880 -4.923 1.00 42.40 H new ATOM 0 HG22 VAL A 129 -2.035 7.349 -6.422 1.00 42.40 H new ATOM 0 HG23 VAL A 129 -2.960 8.234 -5.185 1.00 42.40 H new ATOM 1981 N PHE A 130 -4.564 4.339 -3.237 1.00 53.24 N ATOM 1982 CA PHE A 130 -4.735 3.132 -2.387 1.00 32.51 C ATOM 1983 C PHE A 130 -6.027 2.374 -2.722 1.00 4.44 C ATOM 1984 O PHE A 130 -5.971 1.236 -3.171 1.00 63.43 O ATOM 1985 CB PHE A 130 -4.729 3.470 -0.862 1.00 33.04 C ATOM 1986 CG PHE A 130 -3.496 4.178 -0.302 1.00 65.21 C ATOM 1987 CD1 PHE A 130 -2.347 4.381 -1.066 1.00 55.42 C ATOM 1988 CD2 PHE A 130 -3.496 4.634 1.018 1.00 54.22 C ATOM 1989 CE1 PHE A 130 -1.244 5.015 -0.533 1.00 11.21 C ATOM 1990 CE2 PHE A 130 -2.392 5.267 1.549 1.00 33.24 C ATOM 1991 CZ PHE A 130 -1.267 5.456 0.773 1.00 11.23 C ATOM 0 H PHE A 130 -4.703 5.219 -2.741 1.00 53.24 H new ATOM 0 HA PHE A 130 -3.877 2.497 -2.608 1.00 32.51 H new ATOM 0 HB2 PHE A 130 -5.599 4.092 -0.652 1.00 33.04 H new ATOM 0 HB3 PHE A 130 -4.862 2.539 -0.310 1.00 33.04 H new ATOM 0 HD1 PHE A 130 -2.320 4.037 -2.089 1.00 55.42 H new ATOM 0 HD2 PHE A 130 -4.373 4.489 1.631 1.00 54.22 H new ATOM 0 HE1 PHE A 130 -0.363 5.166 -1.139 1.00 11.21 H new ATOM 0 HE2 PHE A 130 -2.408 5.615 2.571 1.00 33.24 H new ATOM 0 HZ PHE A 130 -0.402 5.951 1.190 1.00 11.23 H new ATOM 2001 N ALA A 131 -7.182 3.033 -2.511 1.00 31.20 N ATOM 2002 CA ALA A 131 -8.514 2.402 -2.688 1.00 13.13 C ATOM 2003 C ALA A 131 -8.746 1.924 -4.143 1.00 3.13 C ATOM 2004 O ALA A 131 -9.474 0.964 -4.376 1.00 22.22 O ATOM 2005 CB ALA A 131 -9.619 3.363 -2.241 1.00 30.31 C ATOM 0 H ALA A 131 -7.224 4.008 -2.216 1.00 31.20 H new ATOM 0 HA ALA A 131 -8.545 1.513 -2.057 1.00 13.13 H new ATOM 0 HB1 ALA A 131 -10.591 2.888 -2.376 1.00 30.31 H new ATOM 0 HB2 ALA A 131 -9.480 3.613 -1.189 1.00 30.31 H new ATOM 0 HB3 ALA A 131 -9.574 4.273 -2.839 1.00 30.31 H new ATOM 2011 N VAL A 132 -8.103 2.601 -5.106 1.00 71.23 N ATOM 2012 CA VAL A 132 -8.040 2.153 -6.514 1.00 51.33 C ATOM 2013 C VAL A 132 -7.361 0.754 -6.634 1.00 60.01 C ATOM 2014 O VAL A 132 -7.946 -0.181 -7.197 1.00 2.42 O ATOM 2015 CB VAL A 132 -7.282 3.235 -7.386 1.00 2.31 C ATOM 2016 CG1 VAL A 132 -6.719 2.656 -8.700 1.00 42.33 C ATOM 2017 CG2 VAL A 132 -8.202 4.445 -7.683 1.00 44.03 C ATOM 0 H VAL A 132 -7.609 3.477 -4.935 1.00 71.23 H new ATOM 0 HA VAL A 132 -9.057 2.049 -6.892 1.00 51.33 H new ATOM 0 HB VAL A 132 -6.431 3.569 -6.793 1.00 2.31 H new ATOM 0 HG11 VAL A 132 -6.210 3.443 -9.256 1.00 42.33 H new ATOM 0 HG12 VAL A 132 -6.013 1.858 -8.473 1.00 42.33 H new ATOM 0 HG13 VAL A 132 -7.536 2.257 -9.301 1.00 42.33 H new ATOM 0 HG21 VAL A 132 -7.660 5.176 -8.283 1.00 44.03 H new ATOM 0 HG22 VAL A 132 -9.082 4.107 -8.230 1.00 44.03 H new ATOM 0 HG23 VAL A 132 -8.512 4.905 -6.745 1.00 44.03 H new ATOM 2027 N GLY A 133 -6.145 0.628 -6.064 1.00 41.02 N ATOM 2028 CA GLY A 133 -5.377 -0.629 -6.112 1.00 13.32 C ATOM 2029 C GLY A 133 -6.031 -1.770 -5.316 1.00 72.32 C ATOM 2030 O GLY A 133 -6.038 -2.919 -5.760 1.00 63.23 O ATOM 0 H GLY A 133 -5.675 1.383 -5.565 1.00 41.02 H new ATOM 0 HA2 GLY A 133 -5.264 -0.938 -7.151 1.00 13.32 H new ATOM 0 HA3 GLY A 133 -4.375 -0.450 -5.721 1.00 13.32 H new ATOM 2034 N LEU A 134 -6.604 -1.425 -4.149 1.00 33.21 N ATOM 2035 CA LEU A 134 -7.280 -2.381 -3.242 1.00 1.22 C ATOM 2036 C LEU A 134 -8.559 -2.978 -3.882 1.00 61.33 C ATOM 2037 O LEU A 134 -8.831 -4.179 -3.739 1.00 23.33 O ATOM 2038 CB LEU A 134 -7.636 -1.678 -1.904 1.00 15.41 C ATOM 2039 CG LEU A 134 -6.435 -1.198 -1.027 1.00 25.31 C ATOM 2040 CD1 LEU A 134 -6.932 -0.580 0.295 1.00 44.41 C ATOM 2041 CD2 LEU A 134 -5.423 -2.339 -0.772 1.00 61.10 C ATOM 0 H LEU A 134 -6.613 -0.466 -3.802 1.00 33.21 H new ATOM 0 HA LEU A 134 -6.590 -3.203 -3.053 1.00 1.22 H new ATOM 0 HB2 LEU A 134 -8.261 -0.814 -2.129 1.00 15.41 H new ATOM 0 HB3 LEU A 134 -8.240 -2.363 -1.309 1.00 15.41 H new ATOM 0 HG LEU A 134 -5.909 -0.422 -1.583 1.00 25.31 H new ATOM 0 HD11 LEU A 134 -6.078 -0.254 0.888 1.00 44.41 H new ATOM 0 HD12 LEU A 134 -7.572 0.276 0.079 1.00 44.41 H new ATOM 0 HD13 LEU A 134 -7.499 -1.324 0.854 1.00 44.41 H new ATOM 0 HD21 LEU A 134 -4.602 -1.967 -0.159 1.00 61.10 H new ATOM 0 HD22 LEU A 134 -5.921 -3.158 -0.253 1.00 61.10 H new ATOM 0 HD23 LEU A 134 -5.031 -2.697 -1.724 1.00 61.10 H new ATOM 2053 N ASN A 135 -9.330 -2.126 -4.591 1.00 21.01 N ATOM 2054 CA ASN A 135 -10.526 -2.573 -5.347 1.00 35.11 C ATOM 2055 C ASN A 135 -10.109 -3.490 -6.514 1.00 52.51 C ATOM 2056 O ASN A 135 -10.696 -4.548 -6.701 1.00 43.44 O ATOM 2057 CB ASN A 135 -11.352 -1.373 -5.885 1.00 10.11 C ATOM 2058 CG ASN A 135 -12.155 -0.634 -4.813 1.00 24.21 C ATOM 2059 OD1 ASN A 135 -11.790 -0.594 -3.640 1.00 54.33 O ATOM 2060 ND2 ASN A 135 -13.263 -0.036 -5.214 1.00 20.23 N ATOM 0 H ASN A 135 -9.148 -1.125 -4.657 1.00 21.01 H new ATOM 0 HA ASN A 135 -11.159 -3.130 -4.656 1.00 35.11 H new ATOM 0 HB2 ASN A 135 -10.675 -0.667 -6.367 1.00 10.11 H new ATOM 0 HB3 ASN A 135 -12.037 -1.733 -6.653 1.00 10.11 H new ATOM 0 HD21 ASN A 135 -13.838 0.474 -4.544 1.00 20.23 H new ATOM 0 HD22 ASN A 135 -13.543 -0.085 -6.194 1.00 20.23 H new ATOM 2067 N ALA A 136 -9.062 -3.081 -7.261 1.00 64.25 N ATOM 2068 CA ALA A 136 -8.507 -3.861 -8.398 1.00 50.41 C ATOM 2069 C ALA A 136 -8.004 -5.259 -7.960 1.00 23.54 C ATOM 2070 O ALA A 136 -8.066 -6.232 -8.723 1.00 62.35 O ATOM 2071 CB ALA A 136 -7.376 -3.060 -9.059 1.00 45.25 C ATOM 0 H ALA A 136 -8.574 -2.201 -7.096 1.00 64.25 H new ATOM 0 HA ALA A 136 -9.309 -4.029 -9.117 1.00 50.41 H new ATOM 0 HB1 ALA A 136 -6.967 -3.629 -9.893 1.00 45.25 H new ATOM 0 HB2 ALA A 136 -7.768 -2.111 -9.425 1.00 45.25 H new ATOM 0 HB3 ALA A 136 -6.589 -2.870 -8.329 1.00 45.25 H new ATOM 2077 N LEU A 137 -7.503 -5.332 -6.717 1.00 52.15 N ATOM 2078 CA LEU A 137 -7.086 -6.592 -6.068 1.00 20.13 C ATOM 2079 C LEU A 137 -8.318 -7.497 -5.802 1.00 20.21 C ATOM 2080 O LEU A 137 -8.321 -8.688 -6.137 1.00 64.23 O ATOM 2081 CB LEU A 137 -6.311 -6.235 -4.759 1.00 60.05 C ATOM 2082 CG LEU A 137 -5.735 -7.422 -3.899 1.00 74.10 C ATOM 2083 CD1 LEU A 137 -4.466 -6.998 -3.136 1.00 73.24 C ATOM 2084 CD2 LEU A 137 -6.773 -7.969 -2.896 1.00 12.43 C ATOM 0 H LEU A 137 -7.373 -4.511 -6.125 1.00 52.15 H new ATOM 0 HA LEU A 137 -6.423 -7.161 -6.719 1.00 20.13 H new ATOM 0 HB2 LEU A 137 -5.480 -5.583 -5.029 1.00 60.05 H new ATOM 0 HB3 LEU A 137 -6.978 -5.654 -4.123 1.00 60.05 H new ATOM 0 HG LEU A 137 -5.483 -8.215 -4.603 1.00 74.10 H new ATOM 0 HD11 LEU A 137 -4.094 -7.840 -2.552 1.00 73.24 H new ATOM 0 HD12 LEU A 137 -3.702 -6.683 -3.847 1.00 73.24 H new ATOM 0 HD13 LEU A 137 -4.703 -6.170 -2.468 1.00 73.24 H new ATOM 0 HD21 LEU A 137 -6.332 -8.786 -2.325 1.00 12.43 H new ATOM 0 HD22 LEU A 137 -7.076 -7.173 -2.216 1.00 12.43 H new ATOM 0 HD23 LEU A 137 -7.645 -8.335 -3.438 1.00 12.43 H new ATOM 2096 N ALA A 138 -9.367 -6.907 -5.216 1.00 54.33 N ATOM 2097 CA ALA A 138 -10.621 -7.624 -4.894 1.00 5.02 C ATOM 2098 C ALA A 138 -11.422 -7.998 -6.179 1.00 43.54 C ATOM 2099 O ALA A 138 -12.240 -8.926 -6.159 1.00 15.25 O ATOM 2100 CB ALA A 138 -11.471 -6.787 -3.934 1.00 13.42 C ATOM 0 H ALA A 138 -9.377 -5.922 -4.950 1.00 54.33 H new ATOM 0 HA ALA A 138 -10.359 -8.561 -4.403 1.00 5.02 H new ATOM 0 HB1 ALA A 138 -12.392 -7.322 -3.702 1.00 13.42 H new ATOM 0 HB2 ALA A 138 -10.913 -6.610 -3.014 1.00 13.42 H new ATOM 0 HB3 ALA A 138 -11.714 -5.832 -4.401 1.00 13.42 H new ATOM 2106 N GLU A 139 -11.182 -7.249 -7.286 1.00 64.53 N ATOM 2107 CA GLU A 139 -11.777 -7.535 -8.616 1.00 15.42 C ATOM 2108 C GLU A 139 -11.252 -8.867 -9.194 1.00 44.41 C ATOM 2109 O GLU A 139 -12.041 -9.730 -9.597 1.00 3.42 O ATOM 2110 CB GLU A 139 -11.515 -6.376 -9.629 1.00 43.51 C ATOM 2111 CG GLU A 139 -12.339 -5.094 -9.381 1.00 73.10 C ATOM 2112 CD GLU A 139 -12.104 -4.013 -10.454 1.00 53.32 C ATOM 2113 OE1 GLU A 139 -12.661 -4.144 -11.566 1.00 4.53 O ATOM 2114 OE2 GLU A 139 -11.359 -3.040 -10.198 1.00 73.34 O ATOM 0 H GLU A 139 -10.572 -6.432 -7.281 1.00 64.53 H new ATOM 0 HA GLU A 139 -12.853 -7.620 -8.465 1.00 15.42 H new ATOM 0 HB2 GLU A 139 -10.456 -6.120 -9.600 1.00 43.51 H new ATOM 0 HB3 GLU A 139 -11.728 -6.738 -10.635 1.00 43.51 H new ATOM 0 HG2 GLU A 139 -13.399 -5.349 -9.355 1.00 73.10 H new ATOM 0 HG3 GLU A 139 -12.084 -4.688 -8.402 1.00 73.10 H new ATOM 2121 N ARG A 140 -9.916 -9.040 -9.192 1.00 55.01 N ATOM 2122 CA ARG A 140 -9.271 -10.250 -9.752 1.00 53.22 C ATOM 2123 C ARG A 140 -9.483 -11.503 -8.852 1.00 30.35 C ATOM 2124 O ARG A 140 -9.235 -12.630 -9.284 1.00 1.15 O ATOM 2125 CB ARG A 140 -7.765 -9.969 -10.073 1.00 52.51 C ATOM 2126 CG ARG A 140 -6.853 -9.501 -8.895 1.00 13.35 C ATOM 2127 CD ARG A 140 -6.219 -10.661 -8.091 1.00 51.13 C ATOM 2128 NE ARG A 140 -5.428 -11.565 -8.950 1.00 61.51 N ATOM 2129 CZ ARG A 140 -4.500 -12.408 -8.545 1.00 71.12 C ATOM 2130 NH1 ARG A 140 -4.133 -12.473 -7.307 1.00 41.00 N ATOM 2131 NH2 ARG A 140 -3.929 -13.176 -9.403 1.00 54.02 N ATOM 0 H ARG A 140 -9.260 -8.359 -8.810 1.00 55.01 H new ATOM 0 HA ARG A 140 -9.761 -10.491 -10.695 1.00 53.22 H new ATOM 0 HB2 ARG A 140 -7.334 -10.879 -10.491 1.00 52.51 H new ATOM 0 HB3 ARG A 140 -7.723 -9.209 -10.853 1.00 52.51 H new ATOM 0 HG2 ARG A 140 -6.057 -8.871 -9.293 1.00 13.35 H new ATOM 0 HG3 ARG A 140 -7.441 -8.882 -8.218 1.00 13.35 H new ATOM 0 HD2 ARG A 140 -5.579 -10.252 -7.309 1.00 51.13 H new ATOM 0 HD3 ARG A 140 -7.005 -11.229 -7.594 1.00 51.13 H new ATOM 0 HE ARG A 140 -5.618 -11.534 -9.952 1.00 61.51 H new ATOM 0 HH11 ARG A 140 -4.565 -11.861 -6.614 1.00 41.00 H new ATOM 0 HH12 ARG A 140 -3.412 -13.136 -7.023 1.00 41.00 H new ATOM 0 HH21 ARG A 140 -4.196 -13.129 -10.386 1.00 54.02 H new ATOM 0 HH22 ARG A 140 -3.209 -13.832 -9.100 1.00 54.02 H new ATOM 2145 N TYR A 141 -9.929 -11.293 -7.594 1.00 71.11 N ATOM 2146 CA TYR A 141 -10.299 -12.397 -6.666 1.00 54.41 C ATOM 2147 C TYR A 141 -11.819 -12.727 -6.682 1.00 42.44 C ATOM 2148 O TYR A 141 -12.190 -13.885 -6.444 1.00 53.11 O ATOM 2149 CB TYR A 141 -9.836 -12.070 -5.222 1.00 1.25 C ATOM 2150 CG TYR A 141 -8.328 -12.256 -4.981 1.00 52.31 C ATOM 2151 CD1 TYR A 141 -7.709 -13.491 -5.202 1.00 41.00 C ATOM 2152 CD2 TYR A 141 -7.530 -11.222 -4.496 1.00 73.32 C ATOM 2153 CE1 TYR A 141 -6.367 -13.675 -4.942 1.00 74.41 C ATOM 2154 CE2 TYR A 141 -6.191 -11.402 -4.242 1.00 44.12 C ATOM 2155 CZ TYR A 141 -5.612 -12.629 -4.463 1.00 75.03 C ATOM 2156 OH TYR A 141 -4.267 -12.805 -4.214 1.00 31.12 O ATOM 0 H TYR A 141 -10.044 -10.363 -7.191 1.00 71.11 H new ATOM 0 HA TYR A 141 -9.782 -13.287 -7.024 1.00 54.41 H new ATOM 0 HB2 TYR A 141 -10.104 -11.039 -4.992 1.00 1.25 H new ATOM 0 HB3 TYR A 141 -10.384 -12.704 -4.525 1.00 1.25 H new ATOM 0 HD1 TYR A 141 -8.293 -14.316 -5.583 1.00 41.00 H new ATOM 0 HD2 TYR A 141 -7.975 -10.255 -4.315 1.00 73.32 H new ATOM 0 HE1 TYR A 141 -5.910 -14.638 -5.114 1.00 74.41 H new ATOM 0 HE2 TYR A 141 -5.595 -10.582 -3.870 1.00 44.12 H new ATOM 0 HH TYR A 141 -4.103 -13.733 -3.944 1.00 31.12 H new ATOM 2166 N GLY A 142 -12.697 -11.730 -6.945 1.00 2.05 N ATOM 2167 CA GLY A 142 -14.165 -11.982 -6.921 1.00 23.40 C ATOM 2168 C GLY A 142 -15.061 -10.777 -7.261 1.00 10.43 C ATOM 2169 O GLY A 142 -16.253 -10.786 -6.924 1.00 3.13 O ATOM 0 H GLY A 142 -12.430 -10.771 -7.170 1.00 2.05 H new ATOM 0 HA2 GLY A 142 -14.388 -12.785 -7.624 1.00 23.40 H new ATOM 0 HA3 GLY A 142 -14.436 -12.343 -5.929 1.00 23.40 H new ATOM 2173 N ARG A 143 -14.490 -9.748 -7.920 1.00 65.20 N ATOM 2174 CA ARG A 143 -15.233 -8.565 -8.460 1.00 15.20 C ATOM 2175 C ARG A 143 -16.037 -7.780 -7.383 1.00 42.14 C ATOM 2176 O ARG A 143 -17.107 -7.223 -7.685 1.00 5.32 O ATOM 2177 CB ARG A 143 -16.145 -8.992 -9.652 1.00 24.12 C ATOM 2178 CG ARG A 143 -15.392 -9.665 -10.826 1.00 42.41 C ATOM 2179 CD ARG A 143 -16.308 -9.945 -12.034 1.00 43.22 C ATOM 2180 NE ARG A 143 -16.843 -8.701 -12.627 1.00 5.30 N ATOM 2181 CZ ARG A 143 -17.980 -8.586 -13.283 1.00 75.42 C ATOM 2182 NH1 ARG A 143 -18.770 -9.600 -13.459 1.00 25.11 N ATOM 2183 NH2 ARG A 143 -18.317 -7.438 -13.767 1.00 15.04 N ATOM 0 H ARG A 143 -13.487 -9.704 -8.100 1.00 65.20 H new ATOM 0 HA ARG A 143 -14.478 -7.867 -8.820 1.00 15.20 H new ATOM 0 HB2 ARG A 143 -16.906 -9.680 -9.283 1.00 24.12 H new ATOM 0 HB3 ARG A 143 -16.666 -8.112 -10.028 1.00 24.12 H new ATOM 0 HG2 ARG A 143 -14.568 -9.024 -11.140 1.00 42.41 H new ATOM 0 HG3 ARG A 143 -14.953 -10.602 -10.482 1.00 42.41 H new ATOM 0 HD2 ARG A 143 -15.750 -10.496 -12.791 1.00 43.22 H new ATOM 0 HD3 ARG A 143 -17.135 -10.582 -11.721 1.00 43.22 H new ATOM 0 HE ARG A 143 -16.282 -7.856 -12.519 1.00 5.30 H new ATOM 0 HH11 ARG A 143 -18.517 -10.515 -13.085 1.00 25.11 H new ATOM 0 HH12 ARG A 143 -19.644 -9.482 -13.971 1.00 25.11 H new ATOM 0 HH21 ARG A 143 -17.706 -6.632 -13.640 1.00 15.04 H new ATOM 0 HH22 ARG A 143 -19.195 -7.337 -14.277 1.00 15.04 H new ATOM 2197 N LEU A 144 -15.469 -7.687 -6.153 1.00 34.15 N ATOM 2198 CA LEU A 144 -16.127 -7.047 -4.979 1.00 1.05 C ATOM 2199 C LEU A 144 -17.484 -7.726 -4.661 1.00 44.31 C ATOM 2200 O LEU A 144 -18.534 -7.274 -5.130 1.00 41.52 O ATOM 2201 CB LEU A 144 -16.315 -5.492 -5.164 1.00 2.33 C ATOM 2202 CG LEU A 144 -15.063 -4.574 -4.970 1.00 4.43 C ATOM 2203 CD1 LEU A 144 -14.505 -4.681 -3.535 1.00 3.34 C ATOM 2204 CD2 LEU A 144 -13.981 -4.845 -6.034 1.00 64.30 C ATOM 0 H LEU A 144 -14.540 -8.054 -5.945 1.00 34.15 H new ATOM 0 HA LEU A 144 -15.457 -7.191 -4.131 1.00 1.05 H new ATOM 0 HB2 LEU A 144 -16.704 -5.319 -6.168 1.00 2.33 H new ATOM 0 HB3 LEU A 144 -17.083 -5.163 -4.464 1.00 2.33 H new ATOM 0 HG LEU A 144 -15.389 -3.544 -5.113 1.00 4.43 H new ATOM 0 HD11 LEU A 144 -13.636 -4.031 -3.433 1.00 3.34 H new ATOM 0 HD12 LEU A 144 -15.272 -4.376 -2.823 1.00 3.34 H new ATOM 0 HD13 LEU A 144 -14.213 -5.712 -3.334 1.00 3.34 H new ATOM 0 HD21 LEU A 144 -13.129 -4.187 -5.863 1.00 64.30 H new ATOM 0 HD22 LEU A 144 -13.656 -5.883 -5.966 1.00 64.30 H new ATOM 0 HD23 LEU A 144 -14.391 -4.657 -7.026 1.00 64.30 H new ATOM 2216 N GLU A 145 -17.444 -8.826 -3.891 1.00 50.21 N ATOM 2217 CA GLU A 145 -18.676 -9.532 -3.459 1.00 34.34 C ATOM 2218 C GLU A 145 -19.569 -8.612 -2.588 1.00 34.42 C ATOM 2219 O GLU A 145 -20.754 -8.426 -2.886 1.00 32.11 O ATOM 2220 CB GLU A 145 -18.334 -10.840 -2.698 1.00 20.11 C ATOM 2221 CG GLU A 145 -17.613 -11.906 -3.554 1.00 22.42 C ATOM 2222 CD GLU A 145 -17.527 -13.274 -2.850 1.00 63.11 C ATOM 2223 OE1 GLU A 145 -16.670 -13.443 -1.961 1.00 62.43 O ATOM 2224 OE2 GLU A 145 -18.345 -14.172 -3.156 1.00 63.12 O ATOM 0 H GLU A 145 -16.580 -9.249 -3.553 1.00 50.21 H new ATOM 0 HA GLU A 145 -19.235 -9.798 -4.356 1.00 34.34 H new ATOM 0 HB2 GLU A 145 -17.707 -10.594 -1.841 1.00 20.11 H new ATOM 0 HB3 GLU A 145 -19.256 -11.269 -2.305 1.00 20.11 H new ATOM 0 HG2 GLU A 145 -18.139 -12.022 -4.502 1.00 22.42 H new ATOM 0 HG3 GLU A 145 -16.607 -11.558 -3.788 1.00 22.42 H new ATOM 2231 N HIS A 146 -18.986 -8.031 -1.522 1.00 1.14 N ATOM 2232 CA HIS A 146 -19.677 -7.024 -0.692 1.00 3.11 C ATOM 2233 C HIS A 146 -19.324 -5.606 -1.205 1.00 50.30 C ATOM 2234 O HIS A 146 -18.236 -5.082 -0.934 1.00 11.45 O ATOM 2235 CB HIS A 146 -19.322 -7.187 0.812 1.00 24.34 C ATOM 2236 CG HIS A 146 -20.208 -6.394 1.751 1.00 34.44 C ATOM 2237 ND1 HIS A 146 -19.934 -6.239 3.087 1.00 63.34 N ATOM 2238 CD2 HIS A 146 -21.385 -5.742 1.548 1.00 34.51 C ATOM 2239 CE1 HIS A 146 -20.887 -5.546 3.663 1.00 53.11 C ATOM 2240 NE2 HIS A 146 -21.781 -5.229 2.755 1.00 62.20 N ATOM 0 H HIS A 146 -18.037 -8.242 -1.215 1.00 1.14 H new ATOM 0 HA HIS A 146 -20.753 -7.174 -0.779 1.00 3.11 H new ATOM 0 HB2 HIS A 146 -19.386 -8.243 1.076 1.00 24.34 H new ATOM 0 HB3 HIS A 146 -18.287 -6.882 0.964 1.00 24.34 H new ATOM 0 HD1 HIS A 146 -19.110 -6.608 3.562 1.00 63.34 H new ATOM 0 HD2 HIS A 146 -21.910 -5.647 0.609 1.00 34.51 H new ATOM 0 HE1 HIS A 146 -20.929 -5.281 4.709 1.00 53.11 H new ATOM 2249 N HIS A 147 -20.248 -5.028 -1.991 1.00 4.23 N ATOM 2250 CA HIS A 147 -20.129 -3.655 -2.524 1.00 75.22 C ATOM 2251 C HIS A 147 -20.389 -2.603 -1.416 1.00 21.14 C ATOM 2252 O HIS A 147 -21.206 -2.822 -0.516 1.00 52.11 O ATOM 2253 CB HIS A 147 -21.130 -3.455 -3.695 1.00 54.04 C ATOM 2254 CG HIS A 147 -20.915 -4.399 -4.853 1.00 55.31 C ATOM 2255 ND1 HIS A 147 -20.114 -4.089 -5.930 1.00 71.30 N ATOM 2256 CD2 HIS A 147 -21.395 -5.643 -5.100 1.00 34.22 C ATOM 2257 CE1 HIS A 147 -20.112 -5.087 -6.782 1.00 4.23 C ATOM 2258 NE2 HIS A 147 -20.878 -6.044 -6.308 1.00 43.52 N ATOM 0 H HIS A 147 -21.105 -5.501 -2.278 1.00 4.23 H new ATOM 0 HA HIS A 147 -19.112 -3.516 -2.891 1.00 75.22 H new ATOM 0 HB2 HIS A 147 -22.145 -3.583 -3.318 1.00 54.04 H new ATOM 0 HB3 HIS A 147 -21.051 -2.429 -4.056 1.00 54.04 H new ATOM 0 HD2 HIS A 147 -22.059 -6.212 -4.466 1.00 34.22 H new ATOM 0 HE1 HIS A 147 -19.571 -5.117 -7.716 1.00 4.23 H new ATOM 0 HE2 HIS A 147 -21.059 -6.939 -6.763 1.00 43.52 H new ATOM 2267 N HIS A 148 -19.677 -1.465 -1.504 1.00 43.43 N ATOM 2268 CA HIS A 148 -19.833 -0.326 -0.571 1.00 42.15 C ATOM 2269 C HIS A 148 -20.371 0.896 -1.358 1.00 54.14 C ATOM 2270 O HIS A 148 -19.705 1.376 -2.281 1.00 25.15 O ATOM 2271 CB HIS A 148 -18.467 -0.010 0.112 1.00 30.21 C ATOM 2272 CG HIS A 148 -18.588 0.778 1.390 1.00 1.23 C ATOM 2273 ND1 HIS A 148 -18.536 0.194 2.637 1.00 2.25 N ATOM 2274 CD2 HIS A 148 -18.755 2.101 1.615 1.00 61.40 C ATOM 2275 CE1 HIS A 148 -18.675 1.114 3.565 1.00 71.12 C ATOM 2276 NE2 HIS A 148 -18.810 2.280 2.975 1.00 11.23 N ATOM 0 H HIS A 148 -18.974 -1.305 -2.226 1.00 43.43 H new ATOM 0 HA HIS A 148 -20.545 -0.575 0.215 1.00 42.15 H new ATOM 0 HB2 HIS A 148 -17.953 -0.948 0.323 1.00 30.21 H new ATOM 0 HB3 HIS A 148 -17.843 0.546 -0.588 1.00 30.21 H new ATOM 0 HD2 HIS A 148 -18.831 2.873 0.864 1.00 61.40 H new ATOM 0 HE1 HIS A 148 -18.678 0.941 4.631 1.00 71.12 H new ATOM 0 HE2 HIS A 148 -18.935 3.174 3.450 1.00 11.23 H new ATOM 2285 N HIS A 149 -21.577 1.384 -0.982 1.00 13.02 N ATOM 2286 CA HIS A 149 -22.304 2.449 -1.733 1.00 42.51 C ATOM 2287 C HIS A 149 -21.516 3.782 -1.832 1.00 72.02 C ATOM 2288 O HIS A 149 -21.503 4.414 -2.896 1.00 2.04 O ATOM 2289 CB HIS A 149 -23.710 2.708 -1.111 1.00 63.21 C ATOM 2290 CG HIS A 149 -24.684 1.566 -1.269 1.00 60.21 C ATOM 2291 ND1 HIS A 149 -25.063 1.080 -2.502 1.00 14.24 N ATOM 2292 CD2 HIS A 149 -25.364 0.832 -0.356 1.00 2.40 C ATOM 2293 CE1 HIS A 149 -25.927 0.102 -2.344 1.00 23.34 C ATOM 2294 NE2 HIS A 149 -26.128 -0.069 -1.056 1.00 55.34 N ATOM 0 H HIS A 149 -22.076 1.056 -0.155 1.00 13.02 H new ATOM 0 HA HIS A 149 -22.417 2.071 -2.749 1.00 42.51 H new ATOM 0 HB2 HIS A 149 -23.590 2.922 -0.049 1.00 63.21 H new ATOM 0 HB3 HIS A 149 -24.138 3.600 -1.569 1.00 63.21 H new ATOM 0 HD2 HIS A 149 -25.315 0.936 0.718 1.00 2.40 H new ATOM 0 HE1 HIS A 149 -26.392 -0.464 -3.137 1.00 23.34 H new ATOM 0 HE2 HIS A 149 -26.753 -0.761 -0.642 1.00 55.34 H new ATOM 2303 N HIS A 150 -20.871 4.211 -0.727 1.00 4.43 N ATOM 2304 CA HIS A 150 -20.073 5.467 -0.703 1.00 44.13 C ATOM 2305 C HIS A 150 -18.696 5.281 -1.408 1.00 42.43 C ATOM 2306 O HIS A 150 -18.567 5.599 -2.597 1.00 51.54 O ATOM 2307 CB HIS A 150 -19.917 5.989 0.752 1.00 2.41 C ATOM 2308 CG HIS A 150 -21.208 6.448 1.383 1.00 54.14 C ATOM 2309 ND1 HIS A 150 -21.464 6.352 2.731 1.00 43.21 N ATOM 2310 CD2 HIS A 150 -22.302 7.031 0.843 1.00 61.21 C ATOM 2311 CE1 HIS A 150 -22.654 6.848 2.992 1.00 74.24 C ATOM 2312 NE2 HIS A 150 -23.182 7.272 1.866 1.00 31.33 N ATOM 0 H HIS A 150 -20.884 3.711 0.162 1.00 4.43 H new ATOM 0 HA HIS A 150 -20.614 6.225 -1.269 1.00 44.13 H new ATOM 0 HB2 HIS A 150 -19.486 5.198 1.366 1.00 2.41 H new ATOM 0 HB3 HIS A 150 -19.209 6.817 0.755 1.00 2.41 H new ATOM 0 HD2 HIS A 150 -22.454 7.264 -0.201 1.00 61.21 H new ATOM 0 HE1 HIS A 150 -23.118 6.898 3.966 1.00 74.24 H new ATOM 0 HE2 HIS A 150 -24.098 7.710 1.769 1.00 31.33 H new ATOM 2321 N HIS A 151 -17.677 4.753 -0.687 1.00 41.23 N ATOM 2322 CA HIS A 151 -16.325 4.512 -1.267 1.00 74.35 C ATOM 2323 C HIS A 151 -15.516 3.494 -0.433 1.00 32.53 C ATOM 2324 O HIS A 151 -15.882 3.139 0.693 1.00 20.43 O ATOM 2325 CB HIS A 151 -15.539 5.853 -1.427 1.00 24.02 C ATOM 2326 CG HIS A 151 -15.137 6.538 -0.137 1.00 13.03 C ATOM 2327 ND1 HIS A 151 -13.820 6.679 0.256 1.00 42.34 N ATOM 2328 CD2 HIS A 151 -15.875 7.139 0.829 1.00 10.31 C ATOM 2329 CE1 HIS A 151 -13.766 7.325 1.401 1.00 74.11 C ATOM 2330 NE2 HIS A 151 -14.994 7.616 1.768 1.00 61.54 N ATOM 0 H HIS A 151 -17.761 4.485 0.294 1.00 41.23 H new ATOM 0 HA HIS A 151 -16.469 4.080 -2.257 1.00 74.35 H new ATOM 0 HB2 HIS A 151 -14.638 5.657 -2.009 1.00 24.02 H new ATOM 0 HB3 HIS A 151 -16.150 6.544 -2.008 1.00 24.02 H new ATOM 0 HD1 HIS A 151 -13.012 6.335 -0.263 1.00 42.34 H new ATOM 0 HD2 HIS A 151 -16.951 7.226 0.855 1.00 10.31 H new ATOM 0 HE1 HIS A 151 -12.867 7.573 1.946 1.00 74.11 H new TER 2339 HIS A 151