USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 709 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 25 GLN : amide:sc= 1.09 K(o=2.3,f=-6.8!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 140:sc= 1.21 (180deg=0) USER MOD Single : A 1 MET CE :methyl -135:sc= -1.31 (180deg=-6.01!) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0043 (180deg=0) USER MOD Single : A 3 MET CE :methyl -119:sc= -1.32 (180deg=-5.53!) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 1.29 (180deg=1.08) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -0.0653 (180deg=-0.448) USER MOD Single : A 22 MET CE :methyl -138:sc= -0.051 (180deg=-1.99) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 55 LYS NZ :NH3+ -117:sc= 1.08 (180deg=0.12) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 167:sc= -0.0531 (180deg=-0.268) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.13 F(o=-2.4!,f=-0.13) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -8:sc= 0.429 USER MOD Single : A 74 TYR OH : rot -155:sc= 0.0978 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.265 K(o=-0.27,f=-0.89) USER MOD Single : A 81 HIS : no HD1:sc= 0.252 K(o=0.25,f=-1.8) USER MOD Single : A 82 HIS : no HD1:sc= -0.121 K(o=-0.12,f=-0.65) USER MOD Single : A 83 HIS : no HE2:sc= 0.209 K(o=0.21,f=-0.98) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.765 14.250 5.777 1.00 3.01 N ATOM 2 CA MET A 1 -3.546 13.071 5.307 1.00 23.21 C ATOM 3 C MET A 1 -2.757 11.777 5.569 1.00 4.44 C ATOM 4 O MET A 1 -1.534 11.746 5.406 1.00 12.12 O ATOM 5 CB MET A 1 -3.866 13.219 3.808 1.00 5.11 C ATOM 6 CG MET A 1 -5.054 12.384 3.330 1.00 42.33 C ATOM 7 SD MET A 1 -4.799 10.604 3.499 1.00 21.34 S ATOM 8 CE MET A 1 -3.405 10.348 2.407 1.00 55.11 C ATOM 0 H1 MET A 1 -3.327 14.785 6.469 1.00 3.01 H new ATOM 0 H2 MET A 1 -1.883 13.927 6.223 1.00 3.01 H new ATOM 0 H3 MET A 1 -2.539 14.862 4.967 1.00 3.01 H new ATOM 0 HA MET A 1 -4.484 13.019 5.859 1.00 23.21 H new ATOM 0 HB2 MET A 1 -4.066 14.269 3.594 1.00 5.11 H new ATOM 0 HB3 MET A 1 -2.985 12.938 3.231 1.00 5.11 H new ATOM 0 HG2 MET A 1 -5.941 12.671 3.895 1.00 42.33 H new ATOM 0 HG3 MET A 1 -5.254 12.617 2.284 1.00 42.33 H new ATOM 0 HE1 MET A 1 -3.584 9.469 1.788 1.00 55.11 H new ATOM 0 HE2 MET A 1 -3.278 11.222 1.768 1.00 55.11 H new ATOM 0 HE3 MET A 1 -2.502 10.197 2.999 1.00 55.11 H new ATOM 20 N GLU A 2 -3.456 10.712 5.969 1.00 72.22 N ATOM 21 CA GLU A 2 -2.806 9.447 6.343 1.00 13.05 C ATOM 22 C GLU A 2 -3.486 8.239 5.681 1.00 55.11 C ATOM 23 O GLU A 2 -4.715 8.146 5.636 1.00 2.10 O ATOM 24 CB GLU A 2 -2.805 9.302 7.869 1.00 72.43 C ATOM 25 CG GLU A 2 -1.876 10.300 8.561 1.00 52.30 C ATOM 26 CD GLU A 2 -2.170 10.469 10.039 1.00 41.22 C ATOM 27 OE1 GLU A 2 -1.893 9.543 10.824 1.00 53.41 O ATOM 28 OE2 GLU A 2 -2.693 11.535 10.426 1.00 33.31 O ATOM 0 H GLU A 2 -4.473 10.697 6.043 1.00 72.22 H new ATOM 0 HA GLU A 2 -1.778 9.471 5.982 1.00 13.05 H new ATOM 0 HB2 GLU A 2 -3.820 9.439 8.243 1.00 72.43 H new ATOM 0 HB3 GLU A 2 -2.502 8.289 8.132 1.00 72.43 H new ATOM 0 HG2 GLU A 2 -0.844 9.970 8.438 1.00 52.30 H new ATOM 0 HG3 GLU A 2 -1.962 11.268 8.068 1.00 52.30 H new ATOM 35 N MET A 3 -2.670 7.306 5.193 1.00 21.33 N ATOM 36 CA MET A 3 -3.150 6.198 4.363 1.00 25.24 C ATOM 37 C MET A 3 -2.447 4.875 4.735 1.00 45.41 C ATOM 38 O MET A 3 -1.268 4.681 4.436 1.00 25.43 O ATOM 39 CB MET A 3 -2.895 6.567 2.889 1.00 4.23 C ATOM 40 CG MET A 3 -3.466 5.607 1.857 1.00 32.31 C ATOM 41 SD MET A 3 -3.263 6.241 0.175 1.00 63.14 S ATOM 42 CE MET A 3 -4.161 5.028 -0.790 1.00 72.42 C ATOM 0 H MET A 3 -1.664 7.295 5.359 1.00 21.33 H new ATOM 0 HA MET A 3 -4.216 6.042 4.531 1.00 25.24 H new ATOM 0 HB2 MET A 3 -3.311 7.558 2.705 1.00 4.23 H new ATOM 0 HB3 MET A 3 -1.819 6.639 2.733 1.00 4.23 H new ATOM 0 HG2 MET A 3 -2.970 4.640 1.945 1.00 32.31 H new ATOM 0 HG3 MET A 3 -4.524 5.442 2.059 1.00 32.31 H new ATOM 0 HE1 MET A 3 -3.482 4.548 -1.494 1.00 72.42 H new ATOM 0 HE2 MET A 3 -4.586 4.276 -0.125 1.00 72.42 H new ATOM 0 HE3 MET A 3 -4.963 5.521 -1.339 1.00 72.42 H new ATOM 52 N ASP A 4 -3.177 3.979 5.401 1.00 52.22 N ATOM 53 CA ASP A 4 -2.637 2.679 5.825 1.00 60.31 C ATOM 54 C ASP A 4 -2.871 1.599 4.756 1.00 4.13 C ATOM 55 O ASP A 4 -3.998 1.139 4.573 1.00 24.31 O ATOM 56 CB ASP A 4 -3.293 2.234 7.138 1.00 31.30 C ATOM 57 CG ASP A 4 -3.110 3.242 8.257 1.00 21.03 C ATOM 58 OD1 ASP A 4 -2.044 3.225 8.910 1.00 62.45 O ATOM 59 OD2 ASP A 4 -4.034 4.046 8.507 1.00 11.33 O ATOM 0 H ASP A 4 -4.152 4.129 5.662 1.00 52.22 H new ATOM 0 HA ASP A 4 -1.564 2.802 5.970 1.00 60.31 H new ATOM 0 HB2 ASP A 4 -4.358 2.073 6.971 1.00 31.30 H new ATOM 0 HB3 ASP A 4 -2.870 1.277 7.444 1.00 31.30 H new ATOM 64 N ILE A 5 -1.813 1.199 4.059 1.00 21.31 N ATOM 65 CA ILE A 5 -1.907 0.167 3.018 1.00 14.51 C ATOM 66 C ILE A 5 -1.498 -1.212 3.563 1.00 75.34 C ATOM 67 O ILE A 5 -0.327 -1.458 3.828 1.00 73.45 O ATOM 68 CB ILE A 5 -0.999 0.512 1.806 1.00 64.22 C ATOM 69 CG1 ILE A 5 -1.267 1.942 1.316 1.00 72.52 C ATOM 70 CG2 ILE A 5 -1.212 -0.490 0.671 1.00 50.25 C ATOM 71 CD1 ILE A 5 -2.688 2.177 0.849 1.00 2.41 C ATOM 0 H ILE A 5 -0.873 1.573 4.193 1.00 21.31 H new ATOM 0 HA ILE A 5 -2.948 0.135 2.696 1.00 14.51 H new ATOM 0 HB ILE A 5 0.040 0.450 2.131 1.00 64.22 H new ATOM 0 HG12 ILE A 5 -1.040 2.640 2.122 1.00 72.52 H new ATOM 0 HG13 ILE A 5 -0.584 2.168 0.497 1.00 72.52 H new ATOM 0 HG21 ILE A 5 -0.567 -0.231 -0.169 1.00 50.25 H new ATOM 0 HG22 ILE A 5 -0.968 -1.493 1.021 1.00 50.25 H new ATOM 0 HG23 ILE A 5 -2.254 -0.461 0.351 1.00 50.25 H new ATOM 0 HD11 ILE A 5 -2.796 3.210 0.519 1.00 2.41 H new ATOM 0 HD12 ILE A 5 -2.914 1.506 0.021 1.00 2.41 H new ATOM 0 HD13 ILE A 5 -3.378 1.984 1.671 1.00 2.41 H new ATOM 83 N ARG A 6 -2.461 -2.114 3.720 1.00 35.31 N ATOM 84 CA ARG A 6 -2.176 -3.453 4.249 1.00 1.13 C ATOM 85 C ARG A 6 -2.525 -4.561 3.239 1.00 53.23 C ATOM 86 O ARG A 6 -3.685 -4.745 2.865 1.00 42.13 O ATOM 87 CB ARG A 6 -2.916 -3.662 5.580 1.00 23.43 C ATOM 88 CG ARG A 6 -2.852 -5.086 6.128 1.00 70.34 C ATOM 89 CD ARG A 6 -3.001 -5.121 7.651 1.00 11.54 C ATOM 90 NE ARG A 6 -3.934 -4.107 8.148 1.00 71.41 N ATOM 91 CZ ARG A 6 -4.803 -4.300 9.100 1.00 72.11 C ATOM 92 NH1 ARG A 6 -4.947 -5.460 9.652 1.00 52.44 N ATOM 93 NH2 ARG A 6 -5.540 -3.317 9.498 1.00 31.12 N ATOM 0 H ARG A 6 -3.441 -1.949 3.492 1.00 35.31 H new ATOM 0 HA ARG A 6 -1.103 -3.520 4.428 1.00 1.13 H new ATOM 0 HB2 ARG A 6 -2.499 -2.982 6.323 1.00 23.43 H new ATOM 0 HB3 ARG A 6 -3.962 -3.385 5.446 1.00 23.43 H new ATOM 0 HG2 ARG A 6 -3.640 -5.686 5.673 1.00 70.34 H new ATOM 0 HG3 ARG A 6 -1.902 -5.541 5.846 1.00 70.34 H new ATOM 0 HD2 ARG A 6 -3.347 -6.109 7.956 1.00 11.54 H new ATOM 0 HD3 ARG A 6 -2.025 -4.969 8.112 1.00 11.54 H new ATOM 0 HE ARG A 6 -3.901 -3.183 7.718 1.00 71.41 H new ATOM 0 HH11 ARG A 6 -4.374 -6.246 9.344 1.00 52.44 H new ATOM 0 HH12 ARG A 6 -5.633 -5.589 10.396 1.00 52.44 H new ATOM 0 HH21 ARG A 6 -5.440 -2.398 9.068 1.00 31.12 H new ATOM 0 HH22 ARG A 6 -6.222 -3.460 10.242 1.00 31.12 H new ATOM 107 N PHE A 7 -1.499 -5.296 2.804 1.00 42.32 N ATOM 108 CA PHE A 7 -1.663 -6.400 1.848 1.00 65.13 C ATOM 109 C PHE A 7 -1.791 -7.751 2.569 1.00 61.52 C ATOM 110 O PHE A 7 -1.127 -8.001 3.578 1.00 50.33 O ATOM 111 CB PHE A 7 -0.472 -6.453 0.874 1.00 51.12 C ATOM 112 CG PHE A 7 -0.398 -5.285 -0.083 1.00 10.53 C ATOM 113 CD1 PHE A 7 -1.111 -5.306 -1.276 1.00 74.51 C ATOM 114 CD2 PHE A 7 0.389 -4.177 0.199 1.00 34.31 C ATOM 115 CE1 PHE A 7 -1.043 -4.245 -2.161 1.00 53.41 C ATOM 116 CE2 PHE A 7 0.458 -3.115 -0.683 1.00 31.02 C ATOM 117 CZ PHE A 7 -0.257 -3.149 -1.863 1.00 5.31 C ATOM 0 H PHE A 7 -0.535 -5.146 3.101 1.00 42.32 H new ATOM 0 HA PHE A 7 -2.581 -6.214 1.290 1.00 65.13 H new ATOM 0 HB2 PHE A 7 0.452 -6.494 1.451 1.00 51.12 H new ATOM 0 HB3 PHE A 7 -0.530 -7.376 0.298 1.00 51.12 H new ATOM 0 HD1 PHE A 7 -1.726 -6.161 -1.515 1.00 74.51 H new ATOM 0 HD2 PHE A 7 0.954 -4.144 1.119 1.00 34.31 H new ATOM 0 HE1 PHE A 7 -1.604 -4.274 -3.084 1.00 53.41 H new ATOM 0 HE2 PHE A 7 1.072 -2.258 -0.449 1.00 31.02 H new ATOM 0 HZ PHE A 7 -0.202 -2.320 -2.553 1.00 5.31 H new ATOM 127 N ARG A 8 -2.643 -8.622 2.035 1.00 1.25 N ATOM 128 CA ARG A 8 -2.863 -9.951 2.614 1.00 5.45 C ATOM 129 C ARG A 8 -3.044 -11.015 1.515 1.00 73.34 C ATOM 130 O ARG A 8 -3.945 -10.918 0.682 1.00 1.22 O ATOM 131 CB ARG A 8 -4.094 -9.921 3.536 1.00 23.04 C ATOM 132 CG ARG A 8 -4.458 -11.273 4.145 1.00 72.22 C ATOM 133 CD ARG A 8 -3.337 -11.837 5.014 1.00 53.32 C ATOM 134 NE ARG A 8 -3.672 -13.165 5.526 1.00 0.54 N ATOM 135 CZ ARG A 8 -3.040 -14.260 5.207 1.00 50.14 C ATOM 136 NH1 ARG A 8 -1.972 -14.221 4.475 1.00 3.25 N ATOM 137 NH2 ARG A 8 -3.462 -15.396 5.650 1.00 62.31 N ATOM 0 H ARG A 8 -3.196 -8.433 1.199 1.00 1.25 H new ATOM 0 HA ARG A 8 -1.983 -10.221 3.198 1.00 5.45 H new ATOM 0 HB2 ARG A 8 -3.912 -9.210 4.342 1.00 23.04 H new ATOM 0 HB3 ARG A 8 -4.948 -9.549 2.970 1.00 23.04 H new ATOM 0 HG2 ARG A 8 -5.362 -11.167 4.745 1.00 72.22 H new ATOM 0 HG3 ARG A 8 -4.686 -11.979 3.347 1.00 72.22 H new ATOM 0 HD2 ARG A 8 -2.417 -11.892 4.432 1.00 53.32 H new ATOM 0 HD3 ARG A 8 -3.147 -11.162 5.848 1.00 53.32 H new ATOM 0 HE ARG A 8 -4.453 -13.240 6.177 1.00 0.54 H new ATOM 0 HH11 ARG A 8 -1.615 -13.326 4.141 1.00 3.25 H new ATOM 0 HH12 ARG A 8 -1.488 -15.085 4.233 1.00 3.25 H new ATOM 0 HH21 ARG A 8 -4.288 -15.435 6.248 1.00 62.31 H new ATOM 0 HH22 ARG A 8 -2.970 -16.255 5.402 1.00 62.31 H new ATOM 151 N GLY A 9 -2.178 -12.030 1.517 1.00 11.52 N ATOM 152 CA GLY A 9 -2.292 -13.118 0.547 1.00 20.23 C ATOM 153 C GLY A 9 -1.139 -14.117 0.621 1.00 31.43 C ATOM 154 O GLY A 9 -0.384 -14.133 1.597 1.00 35.22 O ATOM 0 H GLY A 9 -1.400 -12.121 2.171 1.00 11.52 H new ATOM 0 HA2 GLY A 9 -3.232 -13.645 0.712 1.00 20.23 H new ATOM 0 HA3 GLY A 9 -2.335 -12.697 -0.457 1.00 20.23 H new ATOM 158 N ASP A 10 -0.999 -14.956 -0.407 1.00 31.52 N ATOM 159 CA ASP A 10 0.061 -15.969 -0.441 1.00 15.21 C ATOM 160 C ASP A 10 0.942 -15.835 -1.696 1.00 5.04 C ATOM 161 O ASP A 10 0.549 -16.242 -2.790 1.00 24.22 O ATOM 162 CB ASP A 10 -0.549 -17.375 -0.366 1.00 30.44 C ATOM 163 CG ASP A 10 0.511 -18.462 -0.371 1.00 60.23 C ATOM 164 OD1 ASP A 10 1.295 -18.528 0.595 1.00 25.31 O ATOM 165 OD2 ASP A 10 0.583 -19.234 -1.349 1.00 52.14 O ATOM 0 H ASP A 10 -1.605 -14.955 -1.227 1.00 31.52 H new ATOM 0 HA ASP A 10 0.701 -15.807 0.427 1.00 15.21 H new ATOM 0 HB2 ASP A 10 -1.150 -17.460 0.539 1.00 30.44 H new ATOM 0 HB3 ASP A 10 -1.222 -17.523 -1.211 1.00 30.44 H new ATOM 170 N ASP A 11 2.129 -15.253 -1.519 1.00 74.14 N ATOM 171 CA ASP A 11 3.120 -15.129 -2.595 1.00 72.50 C ATOM 172 C ASP A 11 4.412 -14.486 -2.063 1.00 13.22 C ATOM 173 O ASP A 11 4.367 -13.569 -1.242 1.00 1.43 O ATOM 174 CB ASP A 11 2.570 -14.311 -3.772 1.00 51.21 C ATOM 175 CG ASP A 11 3.523 -14.313 -4.956 1.00 31.23 C ATOM 176 OD1 ASP A 11 3.427 -15.224 -5.802 1.00 75.34 O ATOM 177 OD2 ASP A 11 4.395 -13.425 -5.031 1.00 62.04 O ATOM 0 H ASP A 11 2.432 -14.855 -0.630 1.00 74.14 H new ATOM 0 HA ASP A 11 3.344 -16.133 -2.957 1.00 72.50 H new ATOM 0 HB2 ASP A 11 1.607 -14.719 -4.080 1.00 51.21 H new ATOM 0 HB3 ASP A 11 2.393 -13.285 -3.450 1.00 51.21 H new ATOM 182 N LEU A 12 5.560 -14.961 -2.541 1.00 34.42 N ATOM 183 CA LEU A 12 6.857 -14.487 -2.045 1.00 74.45 C ATOM 184 C LEU A 12 7.213 -13.093 -2.601 1.00 22.22 C ATOM 185 O LEU A 12 7.673 -12.220 -1.863 1.00 72.44 O ATOM 186 CB LEU A 12 7.961 -15.496 -2.398 1.00 62.23 C ATOM 187 CG LEU A 12 9.337 -15.218 -1.763 1.00 41.03 C ATOM 188 CD1 LEU A 12 9.244 -15.235 -0.239 1.00 73.53 C ATOM 189 CD2 LEU A 12 10.371 -16.232 -2.251 1.00 61.43 C ATOM 0 H LEU A 12 5.622 -15.672 -3.270 1.00 34.42 H new ATOM 0 HA LEU A 12 6.781 -14.398 -0.961 1.00 74.45 H new ATOM 0 HB2 LEU A 12 7.633 -16.490 -2.093 1.00 62.23 H new ATOM 0 HB3 LEU A 12 8.077 -15.518 -3.482 1.00 62.23 H new ATOM 0 HG LEU A 12 9.659 -14.224 -2.073 1.00 41.03 H new ATOM 0 HD11 LEU A 12 10.227 -15.036 0.188 1.00 73.53 H new ATOM 0 HD12 LEU A 12 8.543 -14.468 0.091 1.00 73.53 H new ATOM 0 HD13 LEU A 12 8.895 -16.213 0.093 1.00 73.53 H new ATOM 0 HD21 LEU A 12 11.336 -16.018 -1.791 1.00 61.43 H new ATOM 0 HD22 LEU A 12 10.053 -17.237 -1.976 1.00 61.43 H new ATOM 0 HD23 LEU A 12 10.463 -16.165 -3.335 1.00 61.43 H new ATOM 201 N GLU A 13 7.004 -12.885 -3.899 1.00 13.32 N ATOM 202 CA GLU A 13 7.323 -11.596 -4.540 1.00 44.25 C ATOM 203 C GLU A 13 6.311 -10.501 -4.171 1.00 5.43 C ATOM 204 O GLU A 13 6.651 -9.320 -4.147 1.00 53.43 O ATOM 205 CB GLU A 13 7.385 -11.740 -6.070 1.00 3.41 C ATOM 206 CG GLU A 13 8.582 -12.540 -6.582 1.00 33.11 C ATOM 207 CD GLU A 13 8.564 -13.998 -6.148 1.00 43.41 C ATOM 208 OE1 GLU A 13 7.710 -14.759 -6.647 1.00 5.51 O ATOM 209 OE2 GLU A 13 9.414 -14.393 -5.324 1.00 13.51 O ATOM 0 H GLU A 13 6.617 -13.585 -4.532 1.00 13.32 H new ATOM 0 HA GLU A 13 8.302 -11.297 -4.165 1.00 44.25 H new ATOM 0 HB2 GLU A 13 6.469 -12.220 -6.415 1.00 3.41 H new ATOM 0 HB3 GLU A 13 7.411 -10.745 -6.515 1.00 3.41 H new ATOM 0 HG2 GLU A 13 8.602 -12.493 -7.671 1.00 33.11 H new ATOM 0 HG3 GLU A 13 9.501 -12.074 -6.226 1.00 33.11 H new ATOM 216 N ALA A 14 5.081 -10.906 -3.863 1.00 14.51 N ATOM 217 CA ALA A 14 3.976 -9.966 -3.630 1.00 2.03 C ATOM 218 C ALA A 14 4.308 -8.888 -2.584 1.00 31.12 C ATOM 219 O ALA A 14 4.073 -7.701 -2.818 1.00 3.40 O ATOM 220 CB ALA A 14 2.726 -10.731 -3.208 1.00 1.15 C ATOM 0 H ALA A 14 4.819 -11.887 -3.767 1.00 14.51 H new ATOM 0 HA ALA A 14 3.801 -9.446 -4.572 1.00 2.03 H new ATOM 0 HB1 ALA A 14 1.910 -10.029 -3.037 1.00 1.15 H new ATOM 0 HB2 ALA A 14 2.444 -11.430 -3.996 1.00 1.15 H new ATOM 0 HB3 ALA A 14 2.929 -11.282 -2.290 1.00 1.15 H new ATOM 226 N PHE A 15 4.859 -9.297 -1.442 1.00 65.44 N ATOM 227 CA PHE A 15 5.151 -8.358 -0.349 1.00 64.42 C ATOM 228 C PHE A 15 6.150 -7.264 -0.772 1.00 62.44 C ATOM 229 O PHE A 15 5.819 -6.077 -0.770 1.00 60.03 O ATOM 230 CB PHE A 15 5.688 -9.115 0.872 1.00 24.52 C ATOM 231 CG PHE A 15 4.700 -10.093 1.462 1.00 44.12 C ATOM 232 CD1 PHE A 15 3.782 -9.678 2.419 1.00 21.50 C ATOM 233 CD2 PHE A 15 4.688 -11.424 1.064 1.00 41.12 C ATOM 234 CE1 PHE A 15 2.877 -10.568 2.963 1.00 1.15 C ATOM 235 CE2 PHE A 15 3.783 -12.315 1.607 1.00 1.13 C ATOM 236 CZ PHE A 15 2.879 -11.887 2.558 1.00 21.45 C ATOM 0 H PHE A 15 5.113 -10.265 -1.246 1.00 65.44 H new ATOM 0 HA PHE A 15 4.215 -7.864 -0.089 1.00 64.42 H new ATOM 0 HB2 PHE A 15 6.592 -9.653 0.586 1.00 24.52 H new ATOM 0 HB3 PHE A 15 5.974 -8.395 1.638 1.00 24.52 H new ATOM 0 HD1 PHE A 15 3.776 -8.647 2.741 1.00 21.50 H new ATOM 0 HD2 PHE A 15 5.394 -11.766 0.322 1.00 41.12 H new ATOM 0 HE1 PHE A 15 2.168 -10.232 3.705 1.00 1.15 H new ATOM 0 HE2 PHE A 15 3.783 -13.347 1.287 1.00 1.13 H new ATOM 0 HZ PHE A 15 2.173 -12.584 2.985 1.00 21.45 H new ATOM 246 N GLU A 16 7.364 -7.666 -1.154 1.00 50.11 N ATOM 247 CA GLU A 16 8.405 -6.705 -1.544 1.00 22.52 C ATOM 248 C GLU A 16 8.045 -5.930 -2.827 1.00 13.21 C ATOM 249 O GLU A 16 8.307 -4.734 -2.920 1.00 2.22 O ATOM 250 CB GLU A 16 9.769 -7.400 -1.712 1.00 72.54 C ATOM 251 CG GLU A 16 10.364 -7.949 -0.409 1.00 73.40 C ATOM 252 CD GLU A 16 9.966 -9.389 -0.113 1.00 3.15 C ATOM 253 OE1 GLU A 16 8.847 -9.621 0.388 1.00 24.53 O ATOM 254 OE2 GLU A 16 10.779 -10.300 -0.391 1.00 11.52 O ATOM 0 H GLU A 16 7.652 -8.643 -1.202 1.00 50.11 H new ATOM 0 HA GLU A 16 8.473 -5.981 -0.732 1.00 22.52 H new ATOM 0 HB2 GLU A 16 9.660 -8.220 -2.422 1.00 72.54 H new ATOM 0 HB3 GLU A 16 10.473 -6.692 -2.149 1.00 72.54 H new ATOM 0 HG2 GLU A 16 11.451 -7.885 -0.461 1.00 73.40 H new ATOM 0 HG3 GLU A 16 10.047 -7.316 0.420 1.00 73.40 H new ATOM 261 N LYS A 17 7.445 -6.604 -3.808 1.00 10.23 N ATOM 262 CA LYS A 17 7.074 -5.952 -5.077 1.00 24.20 C ATOM 263 C LYS A 17 5.985 -4.881 -4.886 1.00 62.31 C ATOM 264 O LYS A 17 6.152 -3.736 -5.314 1.00 51.31 O ATOM 265 CB LYS A 17 6.624 -6.992 -6.117 1.00 12.33 C ATOM 266 CG LYS A 17 7.699 -7.341 -7.147 1.00 32.31 C ATOM 267 CD LYS A 17 8.045 -6.139 -8.032 1.00 2.53 C ATOM 268 CE LYS A 17 6.824 -5.635 -8.799 1.00 1.03 C ATOM 269 NZ LYS A 17 7.137 -4.464 -9.661 1.00 10.04 N ATOM 0 H LYS A 17 7.204 -7.594 -3.756 1.00 10.23 H new ATOM 0 HA LYS A 17 7.967 -5.448 -5.446 1.00 24.20 H new ATOM 0 HB2 LYS A 17 6.321 -7.902 -5.599 1.00 12.33 H new ATOM 0 HB3 LYS A 17 5.744 -6.614 -6.638 1.00 12.33 H new ATOM 0 HG2 LYS A 17 8.597 -7.686 -6.634 1.00 32.31 H new ATOM 0 HG3 LYS A 17 7.352 -8.165 -7.771 1.00 32.31 H new ATOM 0 HD2 LYS A 17 8.445 -5.335 -7.414 1.00 2.53 H new ATOM 0 HD3 LYS A 17 8.828 -6.419 -8.737 1.00 2.53 H new ATOM 0 HE2 LYS A 17 6.428 -6.441 -9.417 1.00 1.03 H new ATOM 0 HE3 LYS A 17 6.041 -5.362 -8.091 1.00 1.03 H new ATOM 0 HZ1 LYS A 17 6.357 -4.307 -10.330 1.00 10.04 H new ATOM 0 HZ2 LYS A 17 7.259 -3.619 -9.067 1.00 10.04 H new ATOM 0 HZ3 LYS A 17 8.014 -4.646 -10.189 1.00 10.04 H new ATOM 283 N ALA A 18 4.873 -5.247 -4.251 1.00 14.44 N ATOM 284 CA ALA A 18 3.790 -4.289 -3.992 1.00 15.42 C ATOM 285 C ALA A 18 4.294 -3.113 -3.142 1.00 1.45 C ATOM 286 O ALA A 18 3.947 -1.954 -3.382 1.00 61.52 O ATOM 287 CB ALA A 18 2.616 -4.985 -3.311 1.00 13.34 C ATOM 0 H ALA A 18 4.695 -6.191 -3.907 1.00 14.44 H new ATOM 0 HA ALA A 18 3.447 -3.891 -4.947 1.00 15.42 H new ATOM 0 HB1 ALA A 18 1.822 -4.262 -3.126 1.00 13.34 H new ATOM 0 HB2 ALA A 18 2.240 -5.779 -3.956 1.00 13.34 H new ATOM 0 HB3 ALA A 18 2.946 -5.412 -2.364 1.00 13.34 H new ATOM 293 N LEU A 19 5.122 -3.431 -2.152 1.00 44.12 N ATOM 294 CA LEU A 19 5.773 -2.418 -1.317 1.00 14.13 C ATOM 295 C LEU A 19 6.716 -1.527 -2.146 1.00 52.42 C ATOM 296 O LEU A 19 6.754 -0.307 -1.968 1.00 12.11 O ATOM 297 CB LEU A 19 6.560 -3.114 -0.198 1.00 14.35 C ATOM 298 CG LEU A 19 7.361 -2.191 0.733 1.00 25.10 C ATOM 299 CD1 LEU A 19 6.434 -1.265 1.520 1.00 53.53 C ATOM 300 CD2 LEU A 19 8.237 -3.016 1.670 1.00 44.53 C ATOM 0 H LEU A 19 5.362 -4.391 -1.904 1.00 44.12 H new ATOM 0 HA LEU A 19 5.002 -1.778 -0.888 1.00 14.13 H new ATOM 0 HB2 LEU A 19 5.860 -3.690 0.407 1.00 14.35 H new ATOM 0 HB3 LEU A 19 7.249 -3.826 -0.653 1.00 14.35 H new ATOM 0 HG LEU A 19 8.009 -1.564 0.121 1.00 25.10 H new ATOM 0 HD11 LEU A 19 7.028 -0.623 2.171 1.00 53.53 H new ATOM 0 HD12 LEU A 19 5.861 -0.649 0.827 1.00 53.53 H new ATOM 0 HD13 LEU A 19 5.751 -1.862 2.124 1.00 53.53 H new ATOM 0 HD21 LEU A 19 8.799 -2.349 2.324 1.00 44.53 H new ATOM 0 HD22 LEU A 19 7.608 -3.671 2.273 1.00 44.53 H new ATOM 0 HD23 LEU A 19 8.931 -3.618 1.083 1.00 44.53 H new ATOM 312 N LYS A 20 7.461 -2.150 -3.060 1.00 44.55 N ATOM 313 CA LYS A 20 8.442 -1.449 -3.901 1.00 32.21 C ATOM 314 C LYS A 20 7.798 -0.314 -4.708 1.00 53.35 C ATOM 315 O LYS A 20 8.308 0.808 -4.728 1.00 34.34 O ATOM 316 CB LYS A 20 9.122 -2.451 -4.848 1.00 65.51 C ATOM 317 CG LYS A 20 10.240 -1.862 -5.703 1.00 65.53 C ATOM 318 CD LYS A 20 11.354 -1.268 -4.844 1.00 52.11 C ATOM 319 CE LYS A 20 12.580 -0.911 -5.676 1.00 54.51 C ATOM 320 NZ LYS A 20 13.183 -2.117 -6.309 1.00 62.44 N ATOM 0 H LYS A 20 7.404 -3.152 -3.241 1.00 44.55 H new ATOM 0 HA LYS A 20 9.186 -1.000 -3.243 1.00 32.21 H new ATOM 0 HB2 LYS A 20 9.529 -3.271 -4.256 1.00 65.51 H new ATOM 0 HB3 LYS A 20 8.366 -2.878 -5.507 1.00 65.51 H new ATOM 0 HG2 LYS A 20 10.652 -2.638 -6.348 1.00 65.53 H new ATOM 0 HG3 LYS A 20 9.832 -1.090 -6.355 1.00 65.53 H new ATOM 0 HD2 LYS A 20 10.986 -0.376 -4.337 1.00 52.11 H new ATOM 0 HD3 LYS A 20 11.635 -1.981 -4.069 1.00 52.11 H new ATOM 0 HE2 LYS A 20 12.300 -0.195 -6.449 1.00 54.51 H new ATOM 0 HE3 LYS A 20 13.321 -0.423 -5.043 1.00 54.51 H new ATOM 0 HZ1 LYS A 20 14.163 -1.909 -6.589 1.00 62.44 H new ATOM 0 HZ2 LYS A 20 13.176 -2.905 -5.631 1.00 62.44 H new ATOM 0 HZ3 LYS A 20 12.631 -2.380 -7.150 1.00 62.44 H new ATOM 334 N GLU A 21 6.681 -0.612 -5.368 1.00 0.32 N ATOM 335 CA GLU A 21 5.968 0.387 -6.170 1.00 2.24 C ATOM 336 C GLU A 21 5.501 1.572 -5.305 1.00 41.31 C ATOM 337 O GLU A 21 5.660 2.738 -5.681 1.00 74.32 O ATOM 338 CB GLU A 21 4.763 -0.254 -6.877 1.00 34.45 C ATOM 339 CG GLU A 21 5.107 -1.500 -7.693 1.00 54.53 C ATOM 340 CD GLU A 21 6.217 -1.265 -8.707 1.00 61.24 C ATOM 341 OE1 GLU A 21 6.042 -0.410 -9.603 1.00 1.25 O ATOM 342 OE2 GLU A 21 7.270 -1.934 -8.612 1.00 61.02 O ATOM 0 H GLU A 21 6.248 -1.536 -5.365 1.00 0.32 H new ATOM 0 HA GLU A 21 6.662 0.767 -6.920 1.00 2.24 H new ATOM 0 HB2 GLU A 21 4.015 -0.518 -6.129 1.00 34.45 H new ATOM 0 HB3 GLU A 21 4.308 0.485 -7.537 1.00 34.45 H new ATOM 0 HG2 GLU A 21 5.406 -2.299 -7.015 1.00 54.53 H new ATOM 0 HG3 GLU A 21 4.214 -1.843 -8.215 1.00 54.53 H new ATOM 349 N MET A 22 4.936 1.262 -4.138 1.00 21.42 N ATOM 350 CA MET A 22 4.461 2.292 -3.205 1.00 23.23 C ATOM 351 C MET A 22 5.612 3.195 -2.727 1.00 72.42 C ATOM 352 O MET A 22 5.507 4.423 -2.762 1.00 4.53 O ATOM 353 CB MET A 22 3.767 1.643 -2.001 1.00 45.24 C ATOM 354 CG MET A 22 2.542 0.813 -2.369 1.00 5.03 C ATOM 355 SD MET A 22 1.278 1.772 -3.234 1.00 22.41 S ATOM 356 CE MET A 22 0.822 2.969 -1.982 1.00 25.02 C ATOM 0 H MET A 22 4.795 0.306 -3.813 1.00 21.42 H new ATOM 0 HA MET A 22 3.744 2.915 -3.739 1.00 23.23 H new ATOM 0 HB2 MET A 22 4.483 1.006 -1.481 1.00 45.24 H new ATOM 0 HB3 MET A 22 3.468 2.424 -1.302 1.00 45.24 H new ATOM 0 HG2 MET A 22 2.851 -0.022 -2.997 1.00 5.03 H new ATOM 0 HG3 MET A 22 2.111 0.388 -1.462 1.00 5.03 H new ATOM 0 HE1 MET A 22 -0.261 3.094 -1.975 1.00 25.02 H new ATOM 0 HE2 MET A 22 1.153 2.617 -1.005 1.00 25.02 H new ATOM 0 HE3 MET A 22 1.296 3.925 -2.203 1.00 25.02 H new ATOM 366 N ILE A 23 6.714 2.583 -2.286 1.00 41.41 N ATOM 367 CA ILE A 23 7.888 3.341 -1.831 1.00 12.44 C ATOM 368 C ILE A 23 8.506 4.159 -2.978 1.00 21.42 C ATOM 369 O ILE A 23 8.961 5.286 -2.774 1.00 12.41 O ATOM 370 CB ILE A 23 8.973 2.417 -1.219 1.00 73.35 C ATOM 371 CG1 ILE A 23 8.416 1.664 0.000 1.00 63.43 C ATOM 372 CG2 ILE A 23 10.216 3.223 -0.830 1.00 42.41 C ATOM 373 CD1 ILE A 23 9.430 0.758 0.669 1.00 61.44 C ATOM 0 H ILE A 23 6.820 1.570 -2.233 1.00 41.41 H new ATOM 0 HA ILE A 23 7.533 4.021 -1.056 1.00 12.44 H new ATOM 0 HB ILE A 23 9.263 1.686 -1.974 1.00 73.35 H new ATOM 0 HG12 ILE A 23 8.052 2.388 0.729 1.00 63.43 H new ATOM 0 HG13 ILE A 23 7.559 1.068 -0.312 1.00 63.43 H new ATOM 0 HG21 ILE A 23 10.964 2.555 -0.403 1.00 42.41 H new ATOM 0 HG22 ILE A 23 10.627 3.709 -1.715 1.00 42.41 H new ATOM 0 HG23 ILE A 23 9.943 3.980 -0.095 1.00 42.41 H new ATOM 0 HD11 ILE A 23 8.967 0.260 1.521 1.00 61.44 H new ATOM 0 HD12 ILE A 23 9.776 0.010 -0.044 1.00 61.44 H new ATOM 0 HD13 ILE A 23 10.277 1.351 1.013 1.00 61.44 H new ATOM 385 N ARG A 24 8.515 3.587 -4.184 1.00 31.54 N ATOM 386 CA ARG A 24 9.030 4.278 -5.374 1.00 3.14 C ATOM 387 C ARG A 24 8.351 5.645 -5.558 1.00 4.50 C ATOM 388 O ARG A 24 9.018 6.659 -5.776 1.00 35.14 O ATOM 389 CB ARG A 24 8.815 3.415 -6.630 1.00 52.31 C ATOM 390 CG ARG A 24 9.174 4.121 -7.937 1.00 75.54 C ATOM 391 CD ARG A 24 10.662 4.460 -8.023 1.00 25.23 C ATOM 392 NE ARG A 24 10.967 5.289 -9.190 1.00 2.21 N ATOM 393 CZ ARG A 24 11.728 4.916 -10.185 1.00 63.03 C ATOM 394 NH1 ARG A 24 12.238 3.728 -10.224 1.00 4.13 N ATOM 395 NH2 ARG A 24 11.961 5.737 -11.154 1.00 1.20 N ATOM 0 H ARG A 24 8.171 2.644 -4.365 1.00 31.54 H new ATOM 0 HA ARG A 24 10.098 4.441 -5.230 1.00 3.14 H new ATOM 0 HB2 ARG A 24 9.414 2.508 -6.542 1.00 52.31 H new ATOM 0 HB3 ARG A 24 7.771 3.105 -6.671 1.00 52.31 H new ATOM 0 HG2 ARG A 24 8.899 3.485 -8.778 1.00 75.54 H new ATOM 0 HG3 ARG A 24 8.589 5.037 -8.025 1.00 75.54 H new ATOM 0 HD2 ARG A 24 10.968 4.982 -7.117 1.00 25.23 H new ATOM 0 HD3 ARG A 24 11.242 3.538 -8.071 1.00 25.23 H new ATOM 0 HE ARG A 24 10.557 6.222 -9.230 1.00 2.21 H new ATOM 0 HH11 ARG A 24 12.048 3.067 -9.471 1.00 4.13 H new ATOM 0 HH12 ARG A 24 12.830 3.453 -11.008 1.00 4.13 H new ATOM 0 HH21 ARG A 24 11.552 6.671 -11.140 1.00 1.20 H new ATOM 0 HH22 ARG A 24 12.554 5.451 -11.933 1.00 1.20 H new ATOM 409 N GLN A 25 7.024 5.662 -5.464 1.00 43.23 N ATOM 410 CA GLN A 25 6.264 6.907 -5.599 1.00 63.43 C ATOM 411 C GLN A 25 6.403 7.785 -4.343 1.00 13.02 C ATOM 412 O GLN A 25 6.543 9.002 -4.436 1.00 15.20 O ATOM 413 CB GLN A 25 4.783 6.603 -5.876 1.00 64.24 C ATOM 414 CG GLN A 25 4.556 5.657 -7.056 1.00 20.15 C ATOM 415 CD GLN A 25 5.170 6.158 -8.357 1.00 35.22 C ATOM 416 OE1 GLN A 25 5.266 7.361 -8.600 1.00 23.44 O ATOM 417 NE2 GLN A 25 5.599 5.241 -9.203 1.00 41.02 N ATOM 0 H GLN A 25 6.453 4.834 -5.296 1.00 43.23 H new ATOM 0 HA GLN A 25 6.675 7.460 -6.443 1.00 63.43 H new ATOM 0 HB2 GLN A 25 4.338 6.166 -4.982 1.00 64.24 H new ATOM 0 HB3 GLN A 25 4.259 7.540 -6.068 1.00 64.24 H new ATOM 0 HG2 GLN A 25 4.977 4.681 -6.816 1.00 20.15 H new ATOM 0 HG3 GLN A 25 3.485 5.516 -7.199 1.00 20.15 H new ATOM 0 HE21 GLN A 25 5.506 4.252 -8.973 1.00 41.02 H new ATOM 0 HE22 GLN A 25 6.024 5.521 -10.087 1.00 41.02 H new ATOM 426 N ALA A 26 6.380 7.151 -3.170 1.00 50.33 N ATOM 427 CA ALA A 26 6.501 7.863 -1.888 1.00 34.21 C ATOM 428 C ALA A 26 7.818 8.655 -1.781 1.00 2.31 C ATOM 429 O ALA A 26 7.848 9.763 -1.242 1.00 22.04 O ATOM 430 CB ALA A 26 6.387 6.876 -0.736 1.00 24.23 C ATOM 0 H ALA A 26 6.278 6.140 -3.077 1.00 50.33 H new ATOM 0 HA ALA A 26 5.686 8.585 -1.836 1.00 34.21 H new ATOM 0 HB1 ALA A 26 6.477 7.409 0.210 1.00 24.23 H new ATOM 0 HB2 ALA A 26 5.419 6.376 -0.780 1.00 24.23 H new ATOM 0 HB3 ALA A 26 7.182 6.135 -0.812 1.00 24.23 H new ATOM 436 N ARG A 27 8.904 8.075 -2.293 1.00 72.35 N ATOM 437 CA ARG A 27 10.213 8.749 -2.326 1.00 43.22 C ATOM 438 C ARG A 27 10.153 10.057 -3.136 1.00 5.23 C ATOM 439 O ARG A 27 10.889 11.008 -2.864 1.00 0.41 O ATOM 440 CB ARG A 27 11.271 7.805 -2.924 1.00 21.12 C ATOM 441 CG ARG A 27 11.673 6.658 -1.999 1.00 12.13 C ATOM 442 CD ARG A 27 12.542 5.614 -2.705 1.00 14.23 C ATOM 443 NE ARG A 27 13.689 6.205 -3.395 1.00 25.30 N ATOM 444 CZ ARG A 27 14.828 6.495 -2.827 1.00 44.34 C ATOM 445 NH1 ARG A 27 15.009 6.295 -1.560 1.00 71.22 N ATOM 446 NH2 ARG A 27 15.793 6.975 -3.541 1.00 4.34 N ATOM 0 H ARG A 27 8.908 7.137 -2.693 1.00 72.35 H new ATOM 0 HA ARG A 27 10.489 9.003 -1.303 1.00 43.22 H new ATOM 0 HB2 ARG A 27 10.887 7.389 -3.856 1.00 21.12 H new ATOM 0 HB3 ARG A 27 12.160 8.384 -3.175 1.00 21.12 H new ATOM 0 HG2 ARG A 27 12.215 7.059 -1.143 1.00 12.13 H new ATOM 0 HG3 ARG A 27 10.775 6.177 -1.611 1.00 12.13 H new ATOM 0 HD2 ARG A 27 12.898 4.889 -1.973 1.00 14.23 H new ATOM 0 HD3 ARG A 27 11.933 5.067 -3.425 1.00 14.23 H new ATOM 0 HE ARG A 27 13.592 6.405 -4.391 1.00 25.30 H new ATOM 0 HH11 ARG A 27 14.256 5.906 -0.992 1.00 71.22 H new ATOM 0 HH12 ARG A 27 15.904 6.526 -1.130 1.00 71.22 H new ATOM 0 HH21 ARG A 27 15.662 7.125 -4.541 1.00 4.34 H new ATOM 0 HH22 ARG A 27 16.686 7.204 -3.104 1.00 4.34 H new ATOM 460 N LYS A 28 9.263 10.095 -4.123 1.00 10.31 N ATOM 461 CA LYS A 28 9.074 11.279 -4.968 1.00 61.13 C ATOM 462 C LYS A 28 8.370 12.418 -4.206 1.00 24.30 C ATOM 463 O LYS A 28 8.335 13.559 -4.672 1.00 63.32 O ATOM 464 CB LYS A 28 8.260 10.898 -6.210 1.00 73.33 C ATOM 465 CG LYS A 28 8.937 9.849 -7.093 1.00 23.31 C ATOM 466 CD LYS A 28 7.953 9.220 -8.078 1.00 63.45 C ATOM 467 CE LYS A 28 7.243 10.267 -8.926 1.00 42.10 C ATOM 468 NZ LYS A 28 6.244 9.652 -9.835 1.00 34.11 N ATOM 0 H LYS A 28 8.654 9.313 -4.362 1.00 10.31 H new ATOM 0 HA LYS A 28 10.058 11.641 -5.266 1.00 61.13 H new ATOM 0 HB2 LYS A 28 7.287 10.521 -5.894 1.00 73.33 H new ATOM 0 HB3 LYS A 28 8.077 11.795 -6.802 1.00 73.33 H new ATOM 0 HG2 LYS A 28 9.757 10.311 -7.643 1.00 23.31 H new ATOM 0 HG3 LYS A 28 9.372 9.071 -6.466 1.00 23.31 H new ATOM 0 HD2 LYS A 28 8.486 8.527 -8.729 1.00 63.45 H new ATOM 0 HD3 LYS A 28 7.214 8.637 -7.529 1.00 63.45 H new ATOM 0 HE2 LYS A 28 6.748 10.988 -8.275 1.00 42.10 H new ATOM 0 HE3 LYS A 28 7.977 10.819 -9.512 1.00 42.10 H new ATOM 0 HZ1 LYS A 28 5.393 10.248 -9.870 1.00 34.11 H new ATOM 0 HZ2 LYS A 28 6.648 9.569 -10.790 1.00 34.11 H new ATOM 0 HZ3 LYS A 28 5.990 8.707 -9.483 1.00 34.11 H new ATOM 482 N PHE A 29 7.794 12.097 -3.049 1.00 62.43 N ATOM 483 CA PHE A 29 7.130 13.094 -2.199 1.00 52.32 C ATOM 484 C PHE A 29 7.925 13.339 -0.906 1.00 43.53 C ATOM 485 O PHE A 29 9.006 12.781 -0.710 1.00 11.01 O ATOM 486 CB PHE A 29 5.706 12.630 -1.851 1.00 23.14 C ATOM 487 CG PHE A 29 4.800 12.474 -3.048 1.00 4.44 C ATOM 488 CD1 PHE A 29 4.138 13.569 -3.580 1.00 62.51 C ATOM 489 CD2 PHE A 29 4.613 11.231 -3.638 1.00 2.13 C ATOM 490 CE1 PHE A 29 3.306 13.429 -4.674 1.00 23.03 C ATOM 491 CE2 PHE A 29 3.781 11.086 -4.733 1.00 70.32 C ATOM 492 CZ PHE A 29 3.129 12.188 -5.252 1.00 23.52 C ATOM 0 H PHE A 29 7.772 11.149 -2.673 1.00 62.43 H new ATOM 0 HA PHE A 29 7.081 14.030 -2.756 1.00 52.32 H new ATOM 0 HB2 PHE A 29 5.764 11.677 -1.326 1.00 23.14 H new ATOM 0 HB3 PHE A 29 5.260 13.347 -1.162 1.00 23.14 H new ATOM 0 HD1 PHE A 29 4.274 14.543 -3.134 1.00 62.51 H new ATOM 0 HD2 PHE A 29 5.123 10.368 -3.237 1.00 2.13 H new ATOM 0 HE1 PHE A 29 2.794 14.290 -5.077 1.00 23.03 H new ATOM 0 HE2 PHE A 29 3.641 10.114 -5.181 1.00 70.32 H new ATOM 0 HZ PHE A 29 2.481 12.079 -6.109 1.00 23.52 H new ATOM 502 N ALA A 30 7.389 14.185 -0.028 1.00 11.14 N ATOM 503 CA ALA A 30 8.027 14.475 1.264 1.00 40.02 C ATOM 504 C ALA A 30 7.430 13.626 2.397 1.00 53.32 C ATOM 505 O ALA A 30 7.961 13.597 3.512 1.00 40.11 O ATOM 506 CB ALA A 30 7.894 15.957 1.591 1.00 54.43 C ATOM 0 H ALA A 30 6.513 14.684 -0.184 1.00 11.14 H new ATOM 0 HA ALA A 30 9.082 14.216 1.179 1.00 40.02 H new ATOM 0 HB1 ALA A 30 8.370 16.162 2.550 1.00 54.43 H new ATOM 0 HB2 ALA A 30 8.378 16.546 0.812 1.00 54.43 H new ATOM 0 HB3 ALA A 30 6.839 16.224 1.645 1.00 54.43 H new ATOM 512 N GLY A 31 6.319 12.948 2.111 1.00 24.20 N ATOM 513 CA GLY A 31 5.665 12.101 3.105 1.00 0.25 C ATOM 514 C GLY A 31 6.491 10.883 3.515 1.00 0.31 C ATOM 515 O GLY A 31 7.279 10.355 2.725 1.00 74.11 O ATOM 0 H GLY A 31 5.855 12.969 1.203 1.00 24.20 H new ATOM 0 HA2 GLY A 31 5.449 12.697 3.992 1.00 0.25 H new ATOM 0 HA3 GLY A 31 4.708 11.763 2.708 1.00 0.25 H new ATOM 519 N THR A 32 6.304 10.429 4.751 1.00 45.51 N ATOM 520 CA THR A 32 7.045 9.277 5.281 1.00 21.21 C ATOM 521 C THR A 32 6.227 7.983 5.172 1.00 51.01 C ATOM 522 O THR A 32 5.005 7.990 5.323 1.00 61.34 O ATOM 523 CB THR A 32 7.444 9.490 6.763 1.00 63.14 C ATOM 524 OG1 THR A 32 8.240 10.680 6.901 1.00 51.32 O ATOM 525 CG2 THR A 32 8.228 8.299 7.305 1.00 63.14 C ATOM 0 H THR A 32 5.644 10.840 5.411 1.00 45.51 H new ATOM 0 HA THR A 32 7.946 9.186 4.675 1.00 21.21 H new ATOM 0 HB THR A 32 6.523 9.593 7.337 1.00 63.14 H new ATOM 0 HG1 THR A 32 8.484 10.803 7.842 1.00 51.32 H new ATOM 0 HG21 THR A 32 8.492 8.481 8.347 1.00 63.14 H new ATOM 0 HG22 THR A 32 7.616 7.400 7.238 1.00 63.14 H new ATOM 0 HG23 THR A 32 9.137 8.164 6.718 1.00 63.14 H new ATOM 533 N VAL A 33 6.915 6.874 4.906 1.00 42.33 N ATOM 534 CA VAL A 33 6.275 5.557 4.812 1.00 3.31 C ATOM 535 C VAL A 33 7.007 4.524 5.684 1.00 45.42 C ATOM 536 O VAL A 33 8.231 4.418 5.637 1.00 14.43 O ATOM 537 CB VAL A 33 6.249 5.054 3.346 1.00 42.53 C ATOM 538 CG1 VAL A 33 5.641 3.658 3.251 1.00 10.25 C ATOM 539 CG2 VAL A 33 5.492 6.032 2.451 1.00 53.53 C ATOM 0 H VAL A 33 7.923 6.859 4.750 1.00 42.33 H new ATOM 0 HA VAL A 33 5.252 5.670 5.171 1.00 3.31 H new ATOM 0 HB VAL A 33 7.280 4.995 2.997 1.00 42.53 H new ATOM 0 HG11 VAL A 33 5.637 3.333 2.211 1.00 10.25 H new ATOM 0 HG12 VAL A 33 6.233 2.962 3.846 1.00 10.25 H new ATOM 0 HG13 VAL A 33 4.619 3.680 3.628 1.00 10.25 H new ATOM 0 HG21 VAL A 33 5.487 5.659 1.427 1.00 53.53 H new ATOM 0 HG22 VAL A 33 4.466 6.131 2.806 1.00 53.53 H new ATOM 0 HG23 VAL A 33 5.982 7.005 2.480 1.00 53.53 H new ATOM 549 N THR A 34 6.255 3.772 6.484 1.00 45.10 N ATOM 550 CA THR A 34 6.832 2.696 7.307 1.00 30.15 C ATOM 551 C THR A 34 6.024 1.401 7.160 1.00 12.51 C ATOM 552 O THR A 34 4.794 1.430 7.098 1.00 44.43 O ATOM 553 CB THR A 34 6.911 3.091 8.804 1.00 15.12 C ATOM 554 OG1 THR A 34 7.508 2.028 9.567 1.00 10.31 O ATOM 555 CG2 THR A 34 5.533 3.420 9.373 1.00 3.44 C ATOM 0 H THR A 34 5.246 3.882 6.584 1.00 45.10 H new ATOM 0 HA THR A 34 7.846 2.531 6.944 1.00 30.15 H new ATOM 0 HB THR A 34 7.530 3.985 8.876 1.00 15.12 H new ATOM 0 HG1 THR A 34 7.555 2.289 10.511 1.00 10.31 H new ATOM 0 HG21 THR A 34 5.629 3.692 10.424 1.00 3.44 H new ATOM 0 HG22 THR A 34 5.101 4.254 8.820 1.00 3.44 H new ATOM 0 HG23 THR A 34 4.884 2.549 9.282 1.00 3.44 H new ATOM 563 N TYR A 35 6.713 0.264 7.100 1.00 3.21 N ATOM 564 CA TYR A 35 6.052 -1.024 6.848 1.00 70.23 C ATOM 565 C TYR A 35 6.495 -2.111 7.841 1.00 42.30 C ATOM 566 O TYR A 35 7.615 -2.087 8.351 1.00 63.32 O ATOM 567 CB TYR A 35 6.328 -1.483 5.411 1.00 74.20 C ATOM 568 CG TYR A 35 7.800 -1.500 5.031 1.00 24.30 C ATOM 569 CD1 TYR A 35 8.411 -0.369 4.499 1.00 43.32 C ATOM 570 CD2 TYR A 35 8.576 -2.646 5.189 1.00 73.12 C ATOM 571 CE1 TYR A 35 9.742 -0.376 4.137 1.00 63.53 C ATOM 572 CE2 TYR A 35 9.910 -2.661 4.826 1.00 21.44 C ATOM 573 CZ TYR A 35 10.489 -1.523 4.302 1.00 5.21 C ATOM 574 OH TYR A 35 11.815 -1.531 3.933 1.00 54.11 O ATOM 0 H TYR A 35 7.724 0.203 7.221 1.00 3.21 H new ATOM 0 HA TYR A 35 4.982 -0.873 6.988 1.00 70.23 H new ATOM 0 HB2 TYR A 35 5.919 -2.484 5.277 1.00 74.20 H new ATOM 0 HB3 TYR A 35 5.795 -0.826 4.724 1.00 74.20 H new ATOM 0 HD1 TYR A 35 7.831 0.533 4.367 1.00 43.32 H new ATOM 0 HD2 TYR A 35 8.128 -3.538 5.602 1.00 73.12 H new ATOM 0 HE1 TYR A 35 10.197 0.513 3.726 1.00 63.53 H new ATOM 0 HE2 TYR A 35 10.496 -3.559 4.952 1.00 21.44 H new ATOM 0 HH TYR A 35 12.200 -2.414 4.115 1.00 54.11 H new ATOM 584 N THR A 36 5.604 -3.067 8.098 1.00 1.32 N ATOM 585 CA THR A 36 5.884 -4.175 9.022 1.00 41.32 C ATOM 586 C THR A 36 5.383 -5.513 8.458 1.00 32.24 C ATOM 587 O THR A 36 4.248 -5.617 7.986 1.00 24.55 O ATOM 588 CB THR A 36 5.236 -3.936 10.408 1.00 22.25 C ATOM 589 OG1 THR A 36 5.394 -5.094 11.241 1.00 65.55 O ATOM 590 CG2 THR A 36 3.755 -3.591 10.278 1.00 43.15 C ATOM 0 H THR A 36 4.675 -3.100 7.678 1.00 1.32 H new ATOM 0 HA THR A 36 6.967 -4.218 9.139 1.00 41.32 H new ATOM 0 HB THR A 36 5.745 -3.089 10.869 1.00 22.25 H new ATOM 0 HG1 THR A 36 4.981 -4.928 12.114 1.00 65.55 H new ATOM 0 HG21 THR A 36 3.331 -3.429 11.269 1.00 43.15 H new ATOM 0 HG22 THR A 36 3.643 -2.684 9.683 1.00 43.15 H new ATOM 0 HG23 THR A 36 3.232 -4.412 9.789 1.00 43.15 H new ATOM 598 N LEU A 37 6.242 -6.533 8.495 1.00 23.33 N ATOM 599 CA LEU A 37 5.893 -7.874 8.002 1.00 63.43 C ATOM 600 C LEU A 37 5.540 -8.818 9.159 1.00 54.12 C ATOM 601 O LEU A 37 6.336 -9.018 10.080 1.00 24.20 O ATOM 602 CB LEU A 37 7.054 -8.479 7.187 1.00 75.34 C ATOM 603 CG LEU A 37 7.237 -7.936 5.758 1.00 41.04 C ATOM 604 CD1 LEU A 37 5.973 -8.156 4.934 1.00 23.45 C ATOM 605 CD2 LEU A 37 7.634 -6.460 5.772 1.00 61.23 C ATOM 0 H LEU A 37 7.191 -6.459 8.863 1.00 23.33 H new ATOM 0 HA LEU A 37 5.020 -7.764 7.358 1.00 63.43 H new ATOM 0 HB2 LEU A 37 7.981 -8.315 7.737 1.00 75.34 H new ATOM 0 HB3 LEU A 37 6.905 -9.557 7.127 1.00 75.34 H new ATOM 0 HG LEU A 37 8.050 -8.490 5.289 1.00 41.04 H new ATOM 0 HD11 LEU A 37 6.122 -7.766 3.927 1.00 23.45 H new ATOM 0 HD12 LEU A 37 5.754 -9.223 4.881 1.00 23.45 H new ATOM 0 HD13 LEU A 37 5.137 -7.637 5.404 1.00 23.45 H new ATOM 0 HD21 LEU A 37 7.756 -6.106 4.748 1.00 61.23 H new ATOM 0 HD22 LEU A 37 6.856 -5.879 6.267 1.00 61.23 H new ATOM 0 HD23 LEU A 37 8.574 -6.341 6.311 1.00 61.23 H new ATOM 617 N ASP A 38 4.344 -9.394 9.103 1.00 60.03 N ATOM 618 CA ASP A 38 3.923 -10.404 10.074 1.00 10.52 C ATOM 619 C ASP A 38 3.560 -11.715 9.354 1.00 22.34 C ATOM 620 O ASP A 38 2.394 -11.970 9.036 1.00 0.25 O ATOM 621 CB ASP A 38 2.742 -9.887 10.910 1.00 62.54 C ATOM 622 CG ASP A 38 2.362 -10.834 12.038 1.00 0.24 C ATOM 623 OD1 ASP A 38 3.275 -11.366 12.711 1.00 71.32 O ATOM 624 OD2 ASP A 38 1.157 -11.063 12.258 1.00 52.13 O ATOM 0 H ASP A 38 3.644 -9.179 8.393 1.00 60.03 H new ATOM 0 HA ASP A 38 4.751 -10.606 10.753 1.00 10.52 H new ATOM 0 HB2 ASP A 38 2.997 -8.914 11.329 1.00 62.54 H new ATOM 0 HB3 ASP A 38 1.880 -9.738 10.260 1.00 62.54 H new ATOM 629 N GLY A 39 4.581 -12.524 9.075 1.00 42.42 N ATOM 630 CA GLY A 39 4.384 -13.775 8.349 1.00 34.51 C ATOM 631 C GLY A 39 3.817 -13.572 6.945 1.00 62.41 C ATOM 632 O GLY A 39 4.541 -13.208 6.016 1.00 62.25 O ATOM 0 H GLY A 39 5.548 -12.336 9.340 1.00 42.42 H new ATOM 0 HA2 GLY A 39 5.337 -14.300 8.277 1.00 34.51 H new ATOM 0 HA3 GLY A 39 3.709 -14.415 8.917 1.00 34.51 H new ATOM 636 N ASN A 40 2.514 -13.800 6.797 1.00 43.23 N ATOM 637 CA ASN A 40 1.836 -13.653 5.501 1.00 35.54 C ATOM 638 C ASN A 40 0.919 -12.413 5.482 1.00 21.15 C ATOM 639 O ASN A 40 -0.004 -12.315 4.666 1.00 14.30 O ATOM 640 CB ASN A 40 1.032 -14.921 5.200 1.00 11.22 C ATOM 641 CG ASN A 40 1.909 -16.159 5.137 1.00 23.13 C ATOM 642 OD1 ASN A 40 3.074 -16.096 4.755 1.00 55.11 O ATOM 643 ND2 ASN A 40 1.362 -17.294 5.509 1.00 10.15 N ATOM 0 H ASN A 40 1.900 -14.089 7.559 1.00 43.23 H new ATOM 0 HA ASN A 40 2.592 -13.511 4.729 1.00 35.54 H new ATOM 0 HB2 ASN A 40 0.271 -15.057 5.968 1.00 11.22 H new ATOM 0 HB3 ASN A 40 0.509 -14.800 4.251 1.00 11.22 H new ATOM 0 HD21 ASN A 40 1.908 -18.155 5.485 1.00 10.15 H new ATOM 0 HD22 ASN A 40 0.391 -17.314 5.822 1.00 10.15 H new ATOM 650 N ASP A 41 1.199 -11.464 6.373 1.00 64.25 N ATOM 651 CA ASP A 41 0.432 -10.216 6.465 1.00 45.22 C ATOM 652 C ASP A 41 1.380 -8.998 6.423 1.00 4.34 C ATOM 653 O ASP A 41 2.464 -9.027 7.007 1.00 61.41 O ATOM 654 CB ASP A 41 -0.386 -10.223 7.763 1.00 70.33 C ATOM 655 CG ASP A 41 -1.366 -9.068 7.849 1.00 2.24 C ATOM 656 OD1 ASP A 41 -2.515 -9.223 7.382 1.00 73.11 O ATOM 657 OD2 ASP A 41 -1.003 -8.009 8.401 1.00 44.15 O ATOM 0 H ASP A 41 1.959 -11.534 7.050 1.00 64.25 H new ATOM 0 HA ASP A 41 -0.246 -10.142 5.615 1.00 45.22 H new ATOM 0 HB2 ASP A 41 -0.933 -11.163 7.837 1.00 70.33 H new ATOM 0 HB3 ASP A 41 0.293 -10.181 8.615 1.00 70.33 H new ATOM 662 N LEU A 42 0.975 -7.936 5.724 1.00 43.43 N ATOM 663 CA LEU A 42 1.821 -6.739 5.563 1.00 2.51 C ATOM 664 C LEU A 42 1.036 -5.440 5.801 1.00 55.02 C ATOM 665 O LEU A 42 0.091 -5.143 5.079 1.00 25.45 O ATOM 666 CB LEU A 42 2.436 -6.720 4.151 1.00 74.33 C ATOM 667 CG LEU A 42 3.139 -5.407 3.742 1.00 5.12 C ATOM 668 CD1 LEU A 42 4.267 -5.055 4.710 1.00 2.45 C ATOM 669 CD2 LEU A 42 3.666 -5.500 2.311 1.00 63.05 C ATOM 0 H LEU A 42 0.069 -7.875 5.259 1.00 43.43 H new ATOM 0 HA LEU A 42 2.609 -6.792 6.314 1.00 2.51 H new ATOM 0 HB2 LEU A 42 3.157 -7.534 4.078 1.00 74.33 H new ATOM 0 HB3 LEU A 42 1.647 -6.928 3.429 1.00 74.33 H new ATOM 0 HG LEU A 42 2.400 -4.607 3.787 1.00 5.12 H new ATOM 0 HD11 LEU A 42 4.741 -4.126 4.394 1.00 2.45 H new ATOM 0 HD12 LEU A 42 3.860 -4.931 5.714 1.00 2.45 H new ATOM 0 HD13 LEU A 42 5.006 -5.856 4.714 1.00 2.45 H new ATOM 0 HD21 LEU A 42 4.158 -4.565 2.043 1.00 63.05 H new ATOM 0 HD22 LEU A 42 4.381 -6.319 2.239 1.00 63.05 H new ATOM 0 HD23 LEU A 42 2.836 -5.682 1.629 1.00 63.05 H new ATOM 681 N GLU A 43 1.448 -4.662 6.804 1.00 45.21 N ATOM 682 CA GLU A 43 0.848 -3.345 7.077 1.00 72.20 C ATOM 683 C GLU A 43 1.824 -2.215 6.709 1.00 30.41 C ATOM 684 O GLU A 43 2.998 -2.248 7.091 1.00 51.21 O ATOM 685 CB GLU A 43 0.457 -3.233 8.561 1.00 1.12 C ATOM 686 CG GLU A 43 -0.054 -1.850 8.982 1.00 31.22 C ATOM 687 CD GLU A 43 -1.422 -1.499 8.401 1.00 52.43 C ATOM 688 OE1 GLU A 43 -1.500 -1.150 7.209 1.00 12.43 O ATOM 689 OE2 GLU A 43 -2.424 -1.560 9.149 1.00 51.31 O ATOM 0 H GLU A 43 2.198 -4.919 7.446 1.00 45.21 H new ATOM 0 HA GLU A 43 -0.048 -3.247 6.464 1.00 72.20 H new ATOM 0 HB2 GLU A 43 -0.314 -3.972 8.777 1.00 1.12 H new ATOM 0 HB3 GLU A 43 1.323 -3.488 9.172 1.00 1.12 H new ATOM 0 HG2 GLU A 43 -0.109 -1.808 10.070 1.00 31.22 H new ATOM 0 HG3 GLU A 43 0.668 -1.095 8.670 1.00 31.22 H new ATOM 696 N ILE A 44 1.337 -1.218 5.972 1.00 14.14 N ATOM 697 CA ILE A 44 2.168 -0.086 5.544 1.00 33.33 C ATOM 698 C ILE A 44 1.516 1.253 5.930 1.00 71.50 C ATOM 699 O ILE A 44 0.516 1.660 5.343 1.00 62.31 O ATOM 700 CB ILE A 44 2.389 -0.105 4.005 1.00 32.43 C ATOM 701 CG1 ILE A 44 2.924 -1.474 3.543 1.00 61.34 C ATOM 702 CG2 ILE A 44 3.341 1.013 3.584 1.00 51.34 C ATOM 703 CD1 ILE A 44 2.999 -1.626 2.037 1.00 24.23 C ATOM 0 H ILE A 44 0.368 -1.168 5.656 1.00 14.14 H new ATOM 0 HA ILE A 44 3.128 -0.185 6.051 1.00 33.33 H new ATOM 0 HB ILE A 44 1.426 0.063 3.523 1.00 32.43 H new ATOM 0 HG12 ILE A 44 3.918 -1.626 3.964 1.00 61.34 H new ATOM 0 HG13 ILE A 44 2.284 -2.259 3.946 1.00 61.34 H new ATOM 0 HG21 ILE A 44 3.483 0.983 2.504 1.00 51.34 H new ATOM 0 HG22 ILE A 44 2.918 1.977 3.868 1.00 51.34 H new ATOM 0 HG23 ILE A 44 4.302 0.878 4.080 1.00 51.34 H new ATOM 0 HD11 ILE A 44 3.385 -2.615 1.790 1.00 24.23 H new ATOM 0 HD12 ILE A 44 2.003 -1.507 1.609 1.00 24.23 H new ATOM 0 HD13 ILE A 44 3.663 -0.865 1.627 1.00 24.23 H new ATOM 715 N ARG A 45 2.094 1.945 6.907 1.00 60.54 N ATOM 716 CA ARG A 45 1.549 3.227 7.367 1.00 12.22 C ATOM 717 C ARG A 45 2.192 4.412 6.620 1.00 53.41 C ATOM 718 O ARG A 45 3.369 4.731 6.825 1.00 73.21 O ATOM 719 CB ARG A 45 1.744 3.367 8.888 1.00 30.01 C ATOM 720 CG ARG A 45 1.309 4.718 9.448 1.00 14.52 C ATOM 721 CD ARG A 45 1.286 4.730 10.976 1.00 12.41 C ATOM 722 NE ARG A 45 2.561 4.301 11.562 1.00 11.42 N ATOM 723 CZ ARG A 45 3.302 5.042 12.346 1.00 13.32 C ATOM 724 NH1 ARG A 45 2.991 6.281 12.571 1.00 5.45 N ATOM 725 NH2 ARG A 45 4.368 4.539 12.887 1.00 11.30 N ATOM 0 H ARG A 45 2.937 1.645 7.397 1.00 60.54 H new ATOM 0 HA ARG A 45 0.482 3.243 7.146 1.00 12.22 H new ATOM 0 HB2 ARG A 45 1.182 2.579 9.390 1.00 30.01 H new ATOM 0 HB3 ARG A 45 2.796 3.209 9.125 1.00 30.01 H new ATOM 0 HG2 ARG A 45 1.987 5.493 9.091 1.00 14.52 H new ATOM 0 HG3 ARG A 45 0.317 4.964 9.070 1.00 14.52 H new ATOM 0 HD2 ARG A 45 1.050 5.736 11.324 1.00 12.41 H new ATOM 0 HD3 ARG A 45 0.489 4.075 11.329 1.00 12.41 H new ATOM 0 HE ARG A 45 2.892 3.361 11.343 1.00 11.42 H new ATOM 0 HH11 ARG A 45 2.162 6.686 12.135 1.00 5.45 H new ATOM 0 HH12 ARG A 45 3.575 6.850 13.184 1.00 5.45 H new ATOM 0 HH21 ARG A 45 4.626 3.570 12.701 1.00 11.30 H new ATOM 0 HH22 ARG A 45 4.949 5.113 13.499 1.00 11.30 H new ATOM 739 N ILE A 46 1.412 5.046 5.743 1.00 42.40 N ATOM 740 CA ILE A 46 1.873 6.207 4.969 1.00 42.53 C ATOM 741 C ILE A 46 1.319 7.524 5.548 1.00 11.52 C ATOM 742 O ILE A 46 0.143 7.613 5.906 1.00 52.45 O ATOM 743 CB ILE A 46 1.442 6.084 3.482 1.00 25.41 C ATOM 744 CG1 ILE A 46 1.967 4.767 2.880 1.00 5.42 C ATOM 745 CG2 ILE A 46 1.932 7.286 2.672 1.00 14.22 C ATOM 746 CD1 ILE A 46 1.571 4.548 1.431 1.00 22.33 C ATOM 0 H ILE A 46 0.449 4.774 5.548 1.00 42.40 H new ATOM 0 HA ILE A 46 2.961 6.224 5.032 1.00 42.53 H new ATOM 0 HB ILE A 46 0.353 6.073 3.439 1.00 25.41 H new ATOM 0 HG12 ILE A 46 3.054 4.754 2.955 1.00 5.42 H new ATOM 0 HG13 ILE A 46 1.596 3.934 3.477 1.00 5.42 H new ATOM 0 HG21 ILE A 46 1.618 7.177 1.634 1.00 14.22 H new ATOM 0 HG22 ILE A 46 1.508 8.201 3.086 1.00 14.22 H new ATOM 0 HG23 ILE A 46 3.020 7.337 2.719 1.00 14.22 H new ATOM 0 HD11 ILE A 46 1.979 3.600 1.082 1.00 22.33 H new ATOM 0 HD12 ILE A 46 0.484 4.527 1.350 1.00 22.33 H new ATOM 0 HD13 ILE A 46 1.965 5.360 0.819 1.00 22.33 H new ATOM 758 N THR A 47 2.169 8.544 5.642 1.00 3.54 N ATOM 759 CA THR A 47 1.751 9.859 6.156 1.00 34.45 C ATOM 760 C THR A 47 2.464 11.001 5.418 1.00 35.44 C ATOM 761 O THR A 47 3.692 11.067 5.407 1.00 63.10 O ATOM 762 CB THR A 47 2.039 9.992 7.678 1.00 43.14 C ATOM 763 OG1 THR A 47 1.339 8.975 8.418 1.00 60.23 O ATOM 764 CG2 THR A 47 1.632 11.369 8.202 1.00 63.14 C ATOM 0 H THR A 47 3.151 8.492 5.371 1.00 3.54 H new ATOM 0 HA THR A 47 0.677 9.932 5.984 1.00 34.45 H new ATOM 0 HB THR A 47 3.113 9.867 7.818 1.00 43.14 H new ATOM 0 HG1 THR A 47 1.533 9.073 9.373 1.00 60.23 H new ATOM 0 HG21 THR A 47 1.846 11.430 9.269 1.00 63.14 H new ATOM 0 HG22 THR A 47 2.194 12.140 7.674 1.00 63.14 H new ATOM 0 HG23 THR A 47 0.565 11.520 8.037 1.00 63.14 H new ATOM 772 N GLY A 48 1.693 11.899 4.799 1.00 44.30 N ATOM 773 CA GLY A 48 2.283 13.061 4.126 1.00 32.42 C ATOM 774 C GLY A 48 1.737 13.318 2.721 1.00 51.14 C ATOM 775 O GLY A 48 1.740 14.457 2.247 1.00 62.45 O ATOM 0 H GLY A 48 0.676 11.847 4.749 1.00 44.30 H new ATOM 0 HA2 GLY A 48 2.111 13.947 4.738 1.00 32.42 H new ATOM 0 HA3 GLY A 48 3.362 12.921 4.064 1.00 32.42 H new ATOM 779 N VAL A 49 1.283 12.268 2.042 1.00 12.30 N ATOM 780 CA VAL A 49 0.739 12.411 0.684 1.00 14.23 C ATOM 781 C VAL A 49 -0.632 13.122 0.690 1.00 72.24 C ATOM 782 O VAL A 49 -1.500 12.811 1.507 1.00 43.40 O ATOM 783 CB VAL A 49 0.618 11.037 -0.030 1.00 33.24 C ATOM 784 CG1 VAL A 49 2.000 10.423 -0.258 1.00 43.13 C ATOM 785 CG2 VAL A 49 -0.276 10.081 0.762 1.00 71.32 C ATOM 0 H VAL A 49 1.278 11.314 2.402 1.00 12.30 H new ATOM 0 HA VAL A 49 1.445 13.029 0.129 1.00 14.23 H new ATOM 0 HB VAL A 49 0.152 11.203 -1.001 1.00 33.24 H new ATOM 0 HG11 VAL A 49 1.893 9.461 -0.759 1.00 43.13 H new ATOM 0 HG12 VAL A 49 2.597 11.091 -0.879 1.00 43.13 H new ATOM 0 HG13 VAL A 49 2.497 10.279 0.701 1.00 43.13 H new ATOM 0 HG21 VAL A 49 -0.343 9.127 0.239 1.00 71.32 H new ATOM 0 HG22 VAL A 49 0.149 9.922 1.753 1.00 71.32 H new ATOM 0 HG23 VAL A 49 -1.273 10.512 0.860 1.00 71.32 H new ATOM 795 N PRO A 50 -0.841 14.099 -0.221 1.00 35.22 N ATOM 796 CA PRO A 50 -2.091 14.886 -0.276 1.00 52.40 C ATOM 797 C PRO A 50 -3.320 14.060 -0.711 1.00 11.01 C ATOM 798 O PRO A 50 -3.199 13.069 -1.437 1.00 2.03 O ATOM 799 CB PRO A 50 -1.775 15.979 -1.308 1.00 64.21 C ATOM 800 CG PRO A 50 -0.701 15.399 -2.163 1.00 34.14 C ATOM 801 CD PRO A 50 0.124 14.525 -1.255 1.00 33.43 C ATOM 0 HA PRO A 50 -2.365 15.268 0.707 1.00 52.40 H new ATOM 0 HB2 PRO A 50 -2.656 16.232 -1.898 1.00 64.21 H new ATOM 0 HB3 PRO A 50 -1.442 16.896 -0.823 1.00 64.21 H new ATOM 0 HG2 PRO A 50 -1.125 14.820 -2.983 1.00 34.14 H new ATOM 0 HG3 PRO A 50 -0.091 16.184 -2.610 1.00 34.14 H new ATOM 0 HD2 PRO A 50 0.543 13.672 -1.790 1.00 33.43 H new ATOM 0 HD3 PRO A 50 0.961 15.072 -0.822 1.00 33.43 H new ATOM 809 N GLU A 51 -4.506 14.503 -0.283 1.00 55.13 N ATOM 810 CA GLU A 51 -5.760 13.773 -0.532 1.00 54.41 C ATOM 811 C GLU A 51 -6.034 13.510 -2.028 1.00 2.32 C ATOM 812 O GLU A 51 -6.642 12.493 -2.377 1.00 42.03 O ATOM 813 CB GLU A 51 -6.955 14.503 0.126 1.00 44.31 C ATOM 814 CG GLU A 51 -6.878 16.036 0.115 1.00 25.54 C ATOM 815 CD GLU A 51 -6.888 16.653 -1.277 1.00 62.41 C ATOM 816 OE1 GLU A 51 -7.986 16.867 -1.833 1.00 1.50 O ATOM 817 OE2 GLU A 51 -5.795 16.941 -1.813 1.00 21.41 O ATOM 0 H GLU A 51 -4.627 15.369 0.241 1.00 55.13 H new ATOM 0 HA GLU A 51 -5.639 12.793 -0.071 1.00 54.41 H new ATOM 0 HB2 GLU A 51 -7.870 14.199 -0.383 1.00 44.31 H new ATOM 0 HB3 GLU A 51 -7.039 14.168 1.160 1.00 44.31 H new ATOM 0 HG2 GLU A 51 -7.719 16.435 0.683 1.00 25.54 H new ATOM 0 HG3 GLU A 51 -5.969 16.346 0.631 1.00 25.54 H new ATOM 824 N GLN A 52 -5.583 14.411 -2.900 1.00 14.22 N ATOM 825 CA GLN A 52 -5.779 14.256 -4.351 1.00 54.11 C ATOM 826 C GLN A 52 -4.900 13.142 -4.946 1.00 22.22 C ATOM 827 O GLN A 52 -5.305 12.460 -5.887 1.00 42.23 O ATOM 828 CB GLN A 52 -5.515 15.586 -5.071 1.00 70.31 C ATOM 829 CG GLN A 52 -4.144 16.194 -4.783 1.00 54.45 C ATOM 830 CD GLN A 52 -3.921 17.501 -5.525 1.00 72.01 C ATOM 831 OE1 GLN A 52 -4.859 18.243 -5.806 1.00 13.35 O ATOM 832 NE2 GLN A 52 -2.679 17.801 -5.837 1.00 1.21 N ATOM 0 H GLN A 52 -5.079 15.257 -2.633 1.00 14.22 H new ATOM 0 HA GLN A 52 -6.817 13.963 -4.505 1.00 54.11 H new ATOM 0 HB2 GLN A 52 -5.612 15.430 -6.145 1.00 70.31 H new ATOM 0 HB3 GLN A 52 -6.285 16.301 -4.782 1.00 70.31 H new ATOM 0 HG2 GLN A 52 -4.044 16.366 -3.711 1.00 54.45 H new ATOM 0 HG3 GLN A 52 -3.368 15.483 -5.065 1.00 54.45 H new ATOM 0 HE21 GLN A 52 -1.923 17.163 -5.589 1.00 1.21 H new ATOM 0 HE22 GLN A 52 -2.472 18.672 -6.327 1.00 1.21 H new ATOM 841 N VAL A 53 -3.698 12.958 -4.402 1.00 42.23 N ATOM 842 CA VAL A 53 -2.808 11.878 -4.852 1.00 73.11 C ATOM 843 C VAL A 53 -3.198 10.544 -4.195 1.00 43.00 C ATOM 844 O VAL A 53 -3.024 9.472 -4.776 1.00 34.13 O ATOM 845 CB VAL A 53 -1.323 12.203 -4.539 1.00 20.22 C ATOM 846 CG1 VAL A 53 -0.405 11.058 -4.965 1.00 42.43 C ATOM 847 CG2 VAL A 53 -0.908 13.509 -5.215 1.00 23.01 C ATOM 0 H VAL A 53 -3.316 13.536 -3.654 1.00 42.23 H new ATOM 0 HA VAL A 53 -2.921 11.790 -5.933 1.00 73.11 H new ATOM 0 HB VAL A 53 -1.224 12.325 -3.460 1.00 20.22 H new ATOM 0 HG11 VAL A 53 0.629 11.315 -4.733 1.00 42.43 H new ATOM 0 HG12 VAL A 53 -0.682 10.150 -4.429 1.00 42.43 H new ATOM 0 HG13 VAL A 53 -0.505 10.891 -6.037 1.00 42.43 H new ATOM 0 HG21 VAL A 53 0.136 13.722 -4.985 1.00 23.01 H new ATOM 0 HG22 VAL A 53 -1.030 13.415 -6.294 1.00 23.01 H new ATOM 0 HG23 VAL A 53 -1.533 14.323 -4.849 1.00 23.01 H new ATOM 857 N ARG A 54 -3.742 10.637 -2.984 1.00 2.24 N ATOM 858 CA ARG A 54 -4.227 9.472 -2.230 1.00 3.42 C ATOM 859 C ARG A 54 -5.140 8.565 -3.082 1.00 3.44 C ATOM 860 O ARG A 54 -4.989 7.342 -3.078 1.00 63.02 O ATOM 861 CB ARG A 54 -4.947 9.977 -0.960 1.00 2.22 C ATOM 862 CG ARG A 54 -5.795 8.946 -0.202 1.00 10.00 C ATOM 863 CD ARG A 54 -7.212 8.831 -0.770 1.00 2.35 C ATOM 864 NE ARG A 54 -7.789 10.143 -1.075 1.00 73.34 N ATOM 865 CZ ARG A 54 -9.069 10.387 -1.180 1.00 13.55 C ATOM 866 NH1 ARG A 54 -9.942 9.446 -1.001 1.00 52.02 N ATOM 867 NH2 ARG A 54 -9.469 11.584 -1.466 1.00 64.44 N ATOM 0 H ARG A 54 -3.862 11.523 -2.492 1.00 2.24 H new ATOM 0 HA ARG A 54 -3.377 8.851 -1.946 1.00 3.42 H new ATOM 0 HB2 ARG A 54 -4.196 10.372 -0.275 1.00 2.22 H new ATOM 0 HB3 ARG A 54 -5.592 10.810 -1.241 1.00 2.22 H new ATOM 0 HG2 ARG A 54 -5.307 7.972 -0.248 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -5.849 9.226 0.850 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -7.192 8.225 -1.675 1.00 2.35 H new ATOM 0 HD3 ARG A 54 -7.849 8.312 -0.053 1.00 2.35 H new ATOM 0 HE ARG A 54 -7.146 10.922 -1.215 1.00 73.34 H new ATOM 0 HH11 ARG A 54 -9.634 8.500 -0.775 1.00 52.02 H new ATOM 0 HH12 ARG A 54 -10.938 9.651 -1.086 1.00 52.02 H new ATOM 0 HH21 ARG A 54 -8.787 12.329 -1.608 1.00 64.44 H new ATOM 0 HH22 ARG A 54 -10.466 11.782 -1.550 1.00 64.44 H new ATOM 881 N LYS A 55 -6.086 9.165 -3.813 1.00 60.41 N ATOM 882 CA LYS A 55 -7.010 8.388 -4.659 1.00 34.53 C ATOM 883 C LYS A 55 -6.269 7.675 -5.807 1.00 60.11 C ATOM 884 O LYS A 55 -6.673 6.593 -6.247 1.00 34.42 O ATOM 885 CB LYS A 55 -8.126 9.283 -5.223 1.00 63.33 C ATOM 886 CG LYS A 55 -7.622 10.435 -6.086 1.00 31.15 C ATOM 887 CD LYS A 55 -8.768 11.253 -6.680 1.00 34.21 C ATOM 888 CE LYS A 55 -9.641 10.428 -7.623 1.00 64.23 C ATOM 889 NZ LYS A 55 -8.899 9.983 -8.832 1.00 23.22 N ATOM 0 H LYS A 55 -6.234 10.174 -3.839 1.00 60.41 H new ATOM 0 HA LYS A 55 -7.461 7.625 -4.024 1.00 34.53 H new ATOM 0 HB2 LYS A 55 -8.805 8.669 -5.815 1.00 63.33 H new ATOM 0 HB3 LYS A 55 -8.705 9.690 -4.394 1.00 63.33 H new ATOM 0 HG2 LYS A 55 -6.986 11.086 -5.486 1.00 31.15 H new ATOM 0 HG3 LYS A 55 -7.004 10.040 -6.892 1.00 31.15 H new ATOM 0 HD2 LYS A 55 -9.384 11.651 -5.873 1.00 34.21 H new ATOM 0 HD3 LYS A 55 -8.360 12.107 -7.220 1.00 34.21 H new ATOM 0 HE2 LYS A 55 -10.023 9.556 -7.092 1.00 64.23 H new ATOM 0 HE3 LYS A 55 -10.505 11.020 -7.926 1.00 64.23 H new ATOM 0 HZ1 LYS A 55 -9.332 10.403 -9.679 1.00 23.22 H new ATOM 0 HZ2 LYS A 55 -7.907 10.288 -8.762 1.00 23.22 H new ATOM 0 HZ3 LYS A 55 -8.939 8.946 -8.901 1.00 23.22 H new ATOM 903 N GLU A 56 -5.182 8.282 -6.282 1.00 74.35 N ATOM 904 CA GLU A 56 -4.357 7.692 -7.342 1.00 54.10 C ATOM 905 C GLU A 56 -3.573 6.487 -6.797 1.00 31.11 C ATOM 906 O GLU A 56 -3.514 5.429 -7.426 1.00 32.31 O ATOM 907 CB GLU A 56 -3.388 8.745 -7.913 1.00 54.32 C ATOM 908 CG GLU A 56 -4.052 10.068 -8.293 1.00 14.32 C ATOM 909 CD GLU A 56 -5.128 9.915 -9.359 1.00 2.11 C ATOM 910 OE1 GLU A 56 -4.791 9.931 -10.561 1.00 13.21 O ATOM 911 OE2 GLU A 56 -6.315 9.786 -9.001 1.00 24.22 O ATOM 0 H GLU A 56 -4.849 9.187 -5.949 1.00 74.35 H new ATOM 0 HA GLU A 56 -5.011 7.349 -8.144 1.00 54.10 H new ATOM 0 HB2 GLU A 56 -2.608 8.941 -7.177 1.00 54.32 H new ATOM 0 HB3 GLU A 56 -2.898 8.331 -8.794 1.00 54.32 H new ATOM 0 HG2 GLU A 56 -4.493 10.515 -7.402 1.00 14.32 H new ATOM 0 HG3 GLU A 56 -3.290 10.760 -8.652 1.00 14.32 H new ATOM 918 N LEU A 57 -2.988 6.657 -5.609 1.00 60.41 N ATOM 919 CA LEU A 57 -2.263 5.573 -4.935 1.00 13.04 C ATOM 920 C LEU A 57 -3.206 4.407 -4.586 1.00 15.10 C ATOM 921 O LEU A 57 -2.816 3.240 -4.640 1.00 32.22 O ATOM 922 CB LEU A 57 -1.585 6.097 -3.661 1.00 62.44 C ATOM 923 CG LEU A 57 -0.558 7.222 -3.876 1.00 4.21 C ATOM 924 CD1 LEU A 57 0.032 7.675 -2.541 1.00 23.54 C ATOM 925 CD2 LEU A 57 0.549 6.772 -4.831 1.00 72.45 C ATOM 0 H LEU A 57 -3.001 7.536 -5.092 1.00 60.41 H new ATOM 0 HA LEU A 57 -1.500 5.203 -5.620 1.00 13.04 H new ATOM 0 HB2 LEU A 57 -2.357 6.458 -2.981 1.00 62.44 H new ATOM 0 HB3 LEU A 57 -1.087 5.263 -3.165 1.00 62.44 H new ATOM 0 HG LEU A 57 -1.072 8.070 -4.328 1.00 4.21 H new ATOM 0 HD11 LEU A 57 0.756 8.471 -2.715 1.00 23.54 H new ATOM 0 HD12 LEU A 57 -0.766 8.045 -1.897 1.00 23.54 H new ATOM 0 HD13 LEU A 57 0.527 6.833 -2.058 1.00 23.54 H new ATOM 0 HD21 LEU A 57 1.264 7.584 -4.968 1.00 72.45 H new ATOM 0 HD22 LEU A 57 1.060 5.905 -4.413 1.00 72.45 H new ATOM 0 HD23 LEU A 57 0.113 6.506 -5.794 1.00 72.45 H new ATOM 937 N ALA A 58 -4.450 4.736 -4.224 1.00 43.52 N ATOM 938 CA ALA A 58 -5.474 3.723 -3.932 1.00 74.02 C ATOM 939 C ALA A 58 -5.758 2.849 -5.161 1.00 23.41 C ATOM 940 O ALA A 58 -5.839 1.623 -5.063 1.00 2.41 O ATOM 941 CB ALA A 58 -6.757 4.391 -3.444 1.00 41.42 C ATOM 0 H ALA A 58 -4.775 5.698 -4.125 1.00 43.52 H new ATOM 0 HA ALA A 58 -5.092 3.076 -3.142 1.00 74.02 H new ATOM 0 HB1 ALA A 58 -7.506 3.628 -3.232 1.00 41.42 H new ATOM 0 HB2 ALA A 58 -6.549 4.958 -2.537 1.00 41.42 H new ATOM 0 HB3 ALA A 58 -7.133 5.064 -4.215 1.00 41.42 H new ATOM 947 N LYS A 59 -5.900 3.492 -6.319 1.00 1.44 N ATOM 948 CA LYS A 59 -6.115 2.781 -7.584 1.00 73.23 C ATOM 949 C LYS A 59 -4.962 1.803 -7.865 1.00 44.42 C ATOM 950 O LYS A 59 -5.183 0.656 -8.266 1.00 3.22 O ATOM 951 CB LYS A 59 -6.246 3.784 -8.740 1.00 55.35 C ATOM 952 CG LYS A 59 -6.536 3.137 -10.093 1.00 64.32 C ATOM 953 CD LYS A 59 -6.570 4.163 -11.226 1.00 72.02 C ATOM 954 CE LYS A 59 -7.623 5.242 -10.996 1.00 33.54 C ATOM 955 NZ LYS A 59 -7.697 6.200 -12.130 1.00 60.23 N ATOM 0 H LYS A 59 -5.870 4.507 -6.410 1.00 1.44 H new ATOM 0 HA LYS A 59 -7.039 2.209 -7.501 1.00 73.23 H new ATOM 0 HB2 LYS A 59 -7.044 4.489 -8.507 1.00 55.35 H new ATOM 0 HB3 LYS A 59 -5.324 4.360 -8.814 1.00 55.35 H new ATOM 0 HG2 LYS A 59 -5.774 2.387 -10.306 1.00 64.32 H new ATOM 0 HG3 LYS A 59 -7.492 2.616 -10.048 1.00 64.32 H new ATOM 0 HD2 LYS A 59 -5.589 4.629 -11.321 1.00 72.02 H new ATOM 0 HD3 LYS A 59 -6.774 3.654 -12.168 1.00 72.02 H new ATOM 0 HE2 LYS A 59 -8.597 4.773 -10.853 1.00 33.54 H new ATOM 0 HE3 LYS A 59 -7.392 5.784 -10.079 1.00 33.54 H new ATOM 0 HZ1 LYS A 59 -8.425 6.916 -11.932 1.00 60.23 H new ATOM 0 HZ2 LYS A 59 -6.776 6.667 -12.251 1.00 60.23 H new ATOM 0 HZ3 LYS A 59 -7.943 5.688 -13.001 1.00 60.23 H new ATOM 969 N GLU A 60 -3.731 2.265 -7.638 1.00 71.42 N ATOM 970 CA GLU A 60 -2.538 1.437 -7.846 1.00 60.44 C ATOM 971 C GLU A 60 -2.488 0.272 -6.843 1.00 32.24 C ATOM 972 O GLU A 60 -2.161 -0.858 -7.205 1.00 20.33 O ATOM 973 CB GLU A 60 -1.269 2.292 -7.716 1.00 10.23 C ATOM 974 CG GLU A 60 0.014 1.565 -8.118 1.00 35.44 C ATOM 975 CD GLU A 60 0.089 1.278 -9.612 1.00 74.50 C ATOM 976 OE1 GLU A 60 -0.434 0.235 -10.060 1.00 43.40 O ATOM 977 OE2 GLU A 60 0.675 2.099 -10.350 1.00 2.35 O ATOM 0 H GLU A 60 -3.532 3.210 -7.309 1.00 71.42 H new ATOM 0 HA GLU A 60 -2.590 1.021 -8.852 1.00 60.44 H new ATOM 0 HB2 GLU A 60 -1.379 3.183 -8.334 1.00 10.23 H new ATOM 0 HB3 GLU A 60 -1.175 2.630 -6.684 1.00 10.23 H new ATOM 0 HG2 GLU A 60 0.874 2.167 -7.825 1.00 35.44 H new ATOM 0 HG3 GLU A 60 0.081 0.626 -7.569 1.00 35.44 H new ATOM 984 N ALA A 61 -2.819 0.556 -5.583 1.00 15.34 N ATOM 985 CA ALA A 61 -2.856 -0.475 -4.536 1.00 20.13 C ATOM 986 C ALA A 61 -3.784 -1.637 -4.925 1.00 1.44 C ATOM 987 O ALA A 61 -3.430 -2.811 -4.776 1.00 45.21 O ATOM 988 CB ALA A 61 -3.293 0.136 -3.207 1.00 71.20 C ATOM 0 H ALA A 61 -3.066 1.491 -5.259 1.00 15.34 H new ATOM 0 HA ALA A 61 -1.849 -0.878 -4.426 1.00 20.13 H new ATOM 0 HB1 ALA A 61 -3.316 -0.639 -2.441 1.00 71.20 H new ATOM 0 HB2 ALA A 61 -2.588 0.914 -2.915 1.00 71.20 H new ATOM 0 HB3 ALA A 61 -4.287 0.569 -3.315 1.00 71.20 H new ATOM 994 N GLU A 62 -4.972 -1.304 -5.430 1.00 20.12 N ATOM 995 CA GLU A 62 -5.920 -2.318 -5.907 1.00 55.22 C ATOM 996 C GLU A 62 -5.358 -3.069 -7.128 1.00 52.01 C ATOM 997 O GLU A 62 -5.563 -4.277 -7.281 1.00 53.33 O ATOM 998 CB GLU A 62 -7.265 -1.667 -6.262 1.00 31.22 C ATOM 999 CG GLU A 62 -7.889 -0.880 -5.113 1.00 72.24 C ATOM 1000 CD GLU A 62 -9.247 -0.287 -5.469 1.00 44.24 C ATOM 1001 OE1 GLU A 62 -9.308 0.569 -6.380 1.00 33.42 O ATOM 1002 OE2 GLU A 62 -10.258 -0.674 -4.837 1.00 3.02 O ATOM 0 H GLU A 62 -5.303 -0.343 -5.520 1.00 20.12 H new ATOM 0 HA GLU A 62 -6.075 -3.038 -5.104 1.00 55.22 H new ATOM 0 HB2 GLU A 62 -7.122 -1.000 -7.112 1.00 31.22 H new ATOM 0 HB3 GLU A 62 -7.961 -2.443 -6.579 1.00 31.22 H new ATOM 0 HG2 GLU A 62 -7.999 -1.535 -4.249 1.00 72.24 H new ATOM 0 HG3 GLU A 62 -7.213 -0.077 -4.820 1.00 72.24 H new ATOM 1009 N ARG A 63 -4.638 -2.344 -7.987 1.00 44.21 N ATOM 1010 CA ARG A 63 -3.967 -2.943 -9.147 1.00 43.14 C ATOM 1011 C ARG A 63 -2.962 -4.014 -8.687 1.00 43.22 C ATOM 1012 O ARG A 63 -2.944 -5.132 -9.208 1.00 1.42 O ATOM 1013 CB ARG A 63 -3.232 -1.861 -9.957 1.00 63.51 C ATOM 1014 CG ARG A 63 -2.727 -2.338 -11.318 1.00 40.34 C ATOM 1015 CD ARG A 63 -3.836 -2.327 -12.366 1.00 30.14 C ATOM 1016 NE ARG A 63 -4.268 -0.963 -12.677 1.00 11.44 N ATOM 1017 CZ ARG A 63 -5.509 -0.600 -12.866 1.00 33.42 C ATOM 1018 NH1 ARG A 63 -6.472 -1.454 -12.769 1.00 15.04 N ATOM 1019 NH2 ARG A 63 -5.782 0.629 -13.155 1.00 12.14 N ATOM 0 H ARG A 63 -4.503 -1.337 -7.902 1.00 44.21 H new ATOM 0 HA ARG A 63 -4.723 -3.409 -9.779 1.00 43.14 H new ATOM 0 HB2 ARG A 63 -3.903 -1.015 -10.106 1.00 63.51 H new ATOM 0 HB3 ARG A 63 -2.386 -1.498 -9.374 1.00 63.51 H new ATOM 0 HG2 ARG A 63 -1.908 -1.698 -11.647 1.00 40.34 H new ATOM 0 HG3 ARG A 63 -2.325 -3.347 -11.224 1.00 40.34 H new ATOM 0 HD2 ARG A 63 -3.484 -2.814 -13.275 1.00 30.14 H new ATOM 0 HD3 ARG A 63 -4.686 -2.905 -12.004 1.00 30.14 H new ATOM 0 HE ARG A 63 -3.548 -0.244 -12.752 1.00 11.44 H new ATOM 0 HH11 ARG A 63 -6.269 -2.428 -12.542 1.00 15.04 H new ATOM 0 HH12 ARG A 63 -7.436 -1.155 -12.919 1.00 15.04 H new ATOM 0 HH21 ARG A 63 -5.030 1.313 -13.235 1.00 12.14 H new ATOM 0 HH22 ARG A 63 -6.750 0.915 -13.303 1.00 12.14 H new ATOM 1033 N LEU A 64 -2.141 -3.651 -7.698 1.00 75.02 N ATOM 1034 CA LEU A 64 -1.149 -4.558 -7.108 1.00 5.23 C ATOM 1035 C LEU A 64 -1.799 -5.853 -6.597 1.00 11.22 C ATOM 1036 O LEU A 64 -1.277 -6.949 -6.809 1.00 13.22 O ATOM 1037 CB LEU A 64 -0.417 -3.854 -5.957 1.00 2.13 C ATOM 1038 CG LEU A 64 0.452 -2.655 -6.374 1.00 10.22 C ATOM 1039 CD1 LEU A 64 0.932 -1.878 -5.151 1.00 11.40 C ATOM 1040 CD2 LEU A 64 1.641 -3.122 -7.213 1.00 63.20 C ATOM 0 H LEU A 64 -2.144 -2.720 -7.282 1.00 75.02 H new ATOM 0 HA LEU A 64 -0.436 -4.826 -7.888 1.00 5.23 H new ATOM 0 HB2 LEU A 64 -1.156 -3.513 -5.232 1.00 2.13 H new ATOM 0 HB3 LEU A 64 0.215 -4.582 -5.449 1.00 2.13 H new ATOM 0 HG LEU A 64 -0.160 -1.987 -6.981 1.00 10.22 H new ATOM 0 HD11 LEU A 64 1.544 -1.035 -5.472 1.00 11.40 H new ATOM 0 HD12 LEU A 64 0.071 -1.509 -4.593 1.00 11.40 H new ATOM 0 HD13 LEU A 64 1.524 -2.534 -4.513 1.00 11.40 H new ATOM 0 HD21 LEU A 64 2.245 -2.261 -7.499 1.00 63.20 H new ATOM 0 HD22 LEU A 64 2.249 -3.814 -6.630 1.00 63.20 H new ATOM 0 HD23 LEU A 64 1.279 -3.625 -8.109 1.00 63.20 H new ATOM 1052 N ALA A 65 -2.941 -5.717 -5.924 1.00 10.40 N ATOM 1053 CA ALA A 65 -3.694 -6.878 -5.444 1.00 64.22 C ATOM 1054 C ALA A 65 -4.011 -7.849 -6.590 1.00 12.42 C ATOM 1055 O ALA A 65 -3.807 -9.059 -6.476 1.00 63.03 O ATOM 1056 CB ALA A 65 -4.977 -6.422 -4.762 1.00 51.32 C ATOM 0 H ALA A 65 -3.365 -4.817 -5.699 1.00 10.40 H new ATOM 0 HA ALA A 65 -3.076 -7.409 -4.720 1.00 64.22 H new ATOM 0 HB1 ALA A 65 -5.530 -7.292 -4.408 1.00 51.32 H new ATOM 0 HB2 ALA A 65 -4.731 -5.780 -3.916 1.00 51.32 H new ATOM 0 HB3 ALA A 65 -5.589 -5.867 -5.473 1.00 51.32 H new ATOM 1062 N LYS A 66 -4.488 -7.300 -7.703 1.00 43.12 N ATOM 1063 CA LYS A 66 -4.816 -8.104 -8.883 1.00 21.14 C ATOM 1064 C LYS A 66 -3.556 -8.731 -9.503 1.00 2.50 C ATOM 1065 O LYS A 66 -3.578 -9.881 -9.945 1.00 24.13 O ATOM 1066 CB LYS A 66 -5.543 -7.240 -9.921 1.00 13.24 C ATOM 1067 CG LYS A 66 -6.792 -6.545 -9.380 1.00 3.24 C ATOM 1068 CD LYS A 66 -7.815 -7.539 -8.834 1.00 72.45 C ATOM 1069 CE LYS A 66 -9.065 -6.835 -8.313 1.00 71.35 C ATOM 1070 NZ LYS A 66 -9.743 -6.046 -9.376 1.00 3.41 N ATOM 0 H LYS A 66 -4.657 -6.300 -7.816 1.00 43.12 H new ATOM 0 HA LYS A 66 -5.472 -8.915 -8.567 1.00 21.14 H new ATOM 0 HB2 LYS A 66 -4.853 -6.485 -10.299 1.00 13.24 H new ATOM 0 HB3 LYS A 66 -5.825 -7.866 -10.768 1.00 13.24 H new ATOM 0 HG2 LYS A 66 -6.506 -5.850 -8.590 1.00 3.24 H new ATOM 0 HG3 LYS A 66 -7.250 -5.954 -10.174 1.00 3.24 H new ATOM 0 HD2 LYS A 66 -8.094 -8.242 -9.619 1.00 72.45 H new ATOM 0 HD3 LYS A 66 -7.364 -8.121 -8.030 1.00 72.45 H new ATOM 0 HE2 LYS A 66 -9.758 -7.575 -7.913 1.00 71.35 H new ATOM 0 HE3 LYS A 66 -8.793 -6.175 -7.489 1.00 71.35 H new ATOM 0 HZ1 LYS A 66 -10.691 -5.767 -9.050 1.00 3.41 H new ATOM 0 HZ2 LYS A 66 -9.184 -5.194 -9.586 1.00 3.41 H new ATOM 0 HZ3 LYS A 66 -9.829 -6.624 -10.236 1.00 3.41 H new ATOM 1084 N GLU A 67 -2.454 -7.974 -9.504 1.00 53.10 N ATOM 1085 CA GLU A 67 -1.171 -8.448 -10.050 1.00 14.32 C ATOM 1086 C GLU A 67 -0.749 -9.793 -9.434 1.00 62.52 C ATOM 1087 O GLU A 67 -0.151 -10.635 -10.107 1.00 13.33 O ATOM 1088 CB GLU A 67 -0.068 -7.400 -9.804 1.00 13.22 C ATOM 1089 CG GLU A 67 -0.266 -6.087 -10.555 1.00 63.31 C ATOM 1090 CD GLU A 67 0.006 -6.205 -12.048 1.00 33.44 C ATOM 1091 OE1 GLU A 67 -0.874 -6.698 -12.786 1.00 20.43 O ATOM 1092 OE2 GLU A 67 1.103 -5.797 -12.490 1.00 23.25 O ATOM 0 H GLU A 67 -2.422 -7.025 -9.131 1.00 53.10 H new ATOM 0 HA GLU A 67 -1.308 -8.595 -11.121 1.00 14.32 H new ATOM 0 HB2 GLU A 67 -0.016 -7.189 -8.736 1.00 13.22 H new ATOM 0 HB3 GLU A 67 0.893 -7.827 -10.091 1.00 13.22 H new ATOM 0 HG2 GLU A 67 -1.288 -5.740 -10.405 1.00 63.31 H new ATOM 0 HG3 GLU A 67 0.393 -5.330 -10.131 1.00 63.31 H new ATOM 1099 N PHE A 68 -1.053 -9.984 -8.150 1.00 31.13 N ATOM 1100 CA PHE A 68 -0.691 -11.224 -7.446 1.00 11.42 C ATOM 1101 C PHE A 68 -1.929 -12.034 -7.013 1.00 30.35 C ATOM 1102 O PHE A 68 -1.803 -13.036 -6.311 1.00 45.22 O ATOM 1103 CB PHE A 68 0.177 -10.887 -6.228 1.00 73.33 C ATOM 1104 CG PHE A 68 1.437 -10.138 -6.588 1.00 30.30 C ATOM 1105 CD1 PHE A 68 2.554 -10.819 -7.052 1.00 33.52 C ATOM 1106 CD2 PHE A 68 1.505 -8.755 -6.468 1.00 45.24 C ATOM 1107 CE1 PHE A 68 3.707 -10.139 -7.391 1.00 73.30 C ATOM 1108 CE2 PHE A 68 2.655 -8.071 -6.806 1.00 5.20 C ATOM 1109 CZ PHE A 68 3.757 -8.765 -7.267 1.00 65.34 C ATOM 0 H PHE A 68 -1.547 -9.302 -7.574 1.00 31.13 H new ATOM 0 HA PHE A 68 -0.129 -11.849 -8.140 1.00 11.42 H new ATOM 0 HB2 PHE A 68 -0.406 -10.289 -5.528 1.00 73.33 H new ATOM 0 HB3 PHE A 68 0.444 -11.810 -5.713 1.00 73.33 H new ATOM 0 HD1 PHE A 68 2.521 -11.894 -7.149 1.00 33.52 H new ATOM 0 HD2 PHE A 68 0.647 -8.209 -6.106 1.00 45.24 H new ATOM 0 HE1 PHE A 68 4.568 -10.681 -7.753 1.00 73.30 H new ATOM 0 HE2 PHE A 68 2.693 -6.996 -6.710 1.00 5.20 H new ATOM 0 HZ PHE A 68 4.659 -8.232 -7.531 1.00 65.34 H new ATOM 1119 N ASN A 69 -3.122 -11.589 -7.433 1.00 34.11 N ATOM 1120 CA ASN A 69 -4.388 -12.276 -7.100 1.00 65.13 C ATOM 1121 C ASN A 69 -4.628 -12.329 -5.581 1.00 14.45 C ATOM 1122 O ASN A 69 -5.355 -13.192 -5.086 1.00 41.34 O ATOM 1123 CB ASN A 69 -4.406 -13.699 -7.683 1.00 2.13 C ATOM 1124 CG ASN A 69 -4.498 -13.731 -9.203 1.00 74.15 C ATOM 1125 OD1 ASN A 69 -3.936 -12.744 -9.870 1.00 63.40 O flip ATOM 1126 ND2 ASN A 69 -5.060 -14.658 -9.780 1.00 73.35 N flip ATOM 0 H ASN A 69 -3.241 -10.754 -8.006 1.00 34.11 H new ATOM 0 HA ASN A 69 -5.195 -11.696 -7.548 1.00 65.13 H new ATOM 0 HB2 ASN A 69 -3.503 -14.223 -7.370 1.00 2.13 H new ATOM 0 HB3 ASN A 69 -5.252 -14.244 -7.264 1.00 2.13 H new ATOM 0 HD21 ASN A 69 -5.488 -15.410 -9.240 1.00 73.35 H new ATOM 0 HD22 ASN A 69 -5.099 -14.676 -10.799 1.00 73.35 H new ATOM 1133 N ILE A 70 -4.038 -11.387 -4.851 1.00 5.33 N ATOM 1134 CA ILE A 70 -4.164 -11.344 -3.390 1.00 63.31 C ATOM 1135 C ILE A 70 -5.188 -10.286 -2.943 1.00 14.22 C ATOM 1136 O ILE A 70 -5.798 -9.607 -3.770 1.00 24.12 O ATOM 1137 CB ILE A 70 -2.780 -11.095 -2.716 1.00 11.33 C ATOM 1138 CG1 ILE A 70 -2.121 -9.786 -3.211 1.00 11.42 C ATOM 1139 CG2 ILE A 70 -1.853 -12.287 -2.970 1.00 22.33 C ATOM 1140 CD1 ILE A 70 -2.565 -8.535 -2.473 1.00 44.02 C ATOM 0 H ILE A 70 -3.466 -10.640 -5.244 1.00 5.33 H new ATOM 0 HA ILE A 70 -4.531 -12.318 -3.065 1.00 63.31 H new ATOM 0 HB ILE A 70 -2.948 -10.988 -1.644 1.00 11.33 H new ATOM 0 HG12 ILE A 70 -1.039 -9.882 -3.118 1.00 11.42 H new ATOM 0 HG13 ILE A 70 -2.340 -9.663 -4.272 1.00 11.42 H new ATOM 0 HG21 ILE A 70 -0.888 -12.105 -2.496 1.00 22.33 H new ATOM 0 HG22 ILE A 70 -2.298 -13.190 -2.552 1.00 22.33 H new ATOM 0 HG23 ILE A 70 -1.711 -12.416 -4.043 1.00 22.33 H new ATOM 0 HD11 ILE A 70 -2.052 -7.667 -2.887 1.00 44.02 H new ATOM 0 HD12 ILE A 70 -3.642 -8.408 -2.586 1.00 44.02 H new ATOM 0 HD13 ILE A 70 -2.320 -8.631 -1.415 1.00 44.02 H new ATOM 1152 N THR A 71 -5.378 -10.151 -1.634 1.00 1.24 N ATOM 1153 CA THR A 71 -6.346 -9.190 -1.083 1.00 62.42 C ATOM 1154 C THR A 71 -5.654 -7.935 -0.537 1.00 61.22 C ATOM 1155 O THR A 71 -4.683 -8.027 0.216 1.00 52.24 O ATOM 1156 CB THR A 71 -7.179 -9.830 0.056 1.00 23.43 C ATOM 1157 OG1 THR A 71 -7.905 -10.960 -0.446 1.00 25.24 O ATOM 1158 CG2 THR A 71 -8.158 -8.832 0.666 1.00 74.41 C ATOM 0 H THR A 71 -4.877 -10.692 -0.929 1.00 1.24 H new ATOM 0 HA THR A 71 -7.002 -8.905 -1.906 1.00 62.42 H new ATOM 0 HB THR A 71 -6.485 -10.147 0.835 1.00 23.43 H new ATOM 0 HG1 THR A 71 -8.428 -11.361 0.279 1.00 25.24 H new ATOM 0 HG21 THR A 71 -8.724 -9.317 1.461 1.00 74.41 H new ATOM 0 HG22 THR A 71 -7.607 -7.986 1.077 1.00 74.41 H new ATOM 0 HG23 THR A 71 -8.844 -8.478 -0.104 1.00 74.41 H new ATOM 1166 N VAL A 72 -6.157 -6.761 -0.912 1.00 30.10 N ATOM 1167 CA VAL A 72 -5.639 -5.498 -0.377 1.00 42.53 C ATOM 1168 C VAL A 72 -6.670 -4.817 0.541 1.00 51.44 C ATOM 1169 O VAL A 72 -7.860 -4.746 0.225 1.00 1.33 O ATOM 1170 CB VAL A 72 -5.213 -4.521 -1.508 1.00 74.54 C ATOM 1171 CG1 VAL A 72 -6.404 -4.124 -2.380 1.00 50.42 C ATOM 1172 CG2 VAL A 72 -4.522 -3.283 -0.932 1.00 22.24 C ATOM 0 H VAL A 72 -6.919 -6.655 -1.581 1.00 30.10 H new ATOM 0 HA VAL A 72 -4.754 -5.746 0.209 1.00 42.53 H new ATOM 0 HB VAL A 72 -4.498 -5.044 -2.142 1.00 74.54 H new ATOM 0 HG11 VAL A 72 -6.071 -3.440 -3.161 1.00 50.42 H new ATOM 0 HG12 VAL A 72 -6.834 -5.015 -2.837 1.00 50.42 H new ATOM 0 HG13 VAL A 72 -7.158 -3.633 -1.765 1.00 50.42 H new ATOM 0 HG21 VAL A 72 -4.234 -2.616 -1.745 1.00 22.24 H new ATOM 0 HG22 VAL A 72 -5.206 -2.764 -0.261 1.00 22.24 H new ATOM 0 HG23 VAL A 72 -3.633 -3.587 -0.380 1.00 22.24 H new ATOM 1182 N THR A 73 -6.204 -4.352 1.693 1.00 13.54 N ATOM 1183 CA THR A 73 -7.041 -3.606 2.643 1.00 72.20 C ATOM 1184 C THR A 73 -6.332 -2.321 3.077 1.00 23.24 C ATOM 1185 O THR A 73 -5.234 -2.369 3.625 1.00 1.10 O ATOM 1186 CB THR A 73 -7.361 -4.446 3.908 1.00 24.11 C ATOM 1187 OG1 THR A 73 -6.147 -4.880 4.549 1.00 73.24 O ATOM 1188 CG2 THR A 73 -8.216 -5.664 3.568 1.00 15.32 C ATOM 0 H THR A 73 -5.240 -4.477 2.001 1.00 13.54 H new ATOM 0 HA THR A 73 -7.974 -3.370 2.132 1.00 72.20 H new ATOM 0 HB THR A 73 -7.922 -3.806 4.588 1.00 24.11 H new ATOM 0 HG1 THR A 73 -5.381 -4.668 3.976 1.00 73.24 H new ATOM 0 HG21 THR A 73 -8.421 -6.230 4.477 1.00 15.32 H new ATOM 0 HG22 THR A 73 -9.156 -5.336 3.125 1.00 15.32 H new ATOM 0 HG23 THR A 73 -7.682 -6.297 2.859 1.00 15.32 H new ATOM 1196 N TYR A 74 -6.955 -1.171 2.837 1.00 14.44 N ATOM 1197 CA TYR A 74 -6.340 0.116 3.183 1.00 43.23 C ATOM 1198 C TYR A 74 -7.282 1.019 3.992 1.00 21.12 C ATOM 1199 O TYR A 74 -8.436 1.239 3.620 1.00 24.14 O ATOM 1200 CB TYR A 74 -5.843 0.837 1.918 1.00 44.14 C ATOM 1201 CG TYR A 74 -6.824 0.842 0.756 1.00 3.31 C ATOM 1202 CD1 TYR A 74 -7.808 1.820 0.641 1.00 14.42 C ATOM 1203 CD2 TYR A 74 -6.753 -0.131 -0.238 1.00 60.14 C ATOM 1204 CE1 TYR A 74 -8.687 1.828 -0.427 1.00 3.14 C ATOM 1205 CE2 TYR A 74 -7.629 -0.131 -1.306 1.00 62.21 C ATOM 1206 CZ TYR A 74 -8.595 0.850 -1.397 1.00 34.31 C ATOM 1207 OH TYR A 74 -9.465 0.862 -2.465 1.00 64.44 O ATOM 0 H TYR A 74 -7.878 -1.099 2.408 1.00 14.44 H new ATOM 0 HA TYR A 74 -5.485 -0.101 3.823 1.00 43.23 H new ATOM 0 HB2 TYR A 74 -5.603 1.868 2.176 1.00 44.14 H new ATOM 0 HB3 TYR A 74 -4.916 0.367 1.590 1.00 44.14 H new ATOM 0 HD1 TYR A 74 -7.886 2.586 1.399 1.00 14.42 H new ATOM 0 HD2 TYR A 74 -5.998 -0.901 -0.172 1.00 60.14 H new ATOM 0 HE1 TYR A 74 -9.442 2.596 -0.502 1.00 3.14 H new ATOM 0 HE2 TYR A 74 -7.558 -0.895 -2.066 1.00 62.21 H new ATOM 0 HH TYR A 74 -9.554 -0.045 -2.825 1.00 64.44 H new ATOM 1217 N THR A 75 -6.770 1.527 5.112 1.00 44.52 N ATOM 1218 CA THR A 75 -7.524 2.435 5.989 1.00 21.33 C ATOM 1219 C THR A 75 -7.048 3.882 5.802 1.00 54.33 C ATOM 1220 O THR A 75 -5.884 4.192 6.036 1.00 64.41 O ATOM 1221 CB THR A 75 -7.358 2.040 7.479 1.00 32.45 C ATOM 1222 OG1 THR A 75 -7.725 0.662 7.668 1.00 64.24 O ATOM 1223 CG2 THR A 75 -8.213 2.921 8.388 1.00 51.12 C ATOM 0 H THR A 75 -5.826 1.325 5.440 1.00 44.52 H new ATOM 0 HA THR A 75 -8.576 2.355 5.714 1.00 21.33 H new ATOM 0 HB THR A 75 -6.311 2.184 7.745 1.00 32.45 H new ATOM 0 HG1 THR A 75 -7.615 0.421 8.611 1.00 64.24 H new ATOM 0 HG21 THR A 75 -8.073 2.617 9.425 1.00 51.12 H new ATOM 0 HG22 THR A 75 -7.914 3.963 8.271 1.00 51.12 H new ATOM 0 HG23 THR A 75 -9.263 2.813 8.117 1.00 51.12 H new ATOM 1231 N ILE A 76 -7.943 4.769 5.377 1.00 11.41 N ATOM 1232 CA ILE A 76 -7.559 6.156 5.074 1.00 73.42 C ATOM 1233 C ILE A 76 -8.370 7.170 5.893 1.00 10.32 C ATOM 1234 O ILE A 76 -9.596 7.070 5.986 1.00 52.45 O ATOM 1235 CB ILE A 76 -7.748 6.466 3.566 1.00 62.34 C ATOM 1236 CG1 ILE A 76 -7.073 5.382 2.709 1.00 20.21 C ATOM 1237 CG2 ILE A 76 -7.189 7.851 3.225 1.00 55.03 C ATOM 1238 CD1 ILE A 76 -7.152 5.633 1.217 1.00 54.33 C ATOM 0 H ILE A 76 -8.931 4.561 5.234 1.00 11.41 H new ATOM 0 HA ILE A 76 -6.507 6.251 5.343 1.00 73.42 H new ATOM 0 HB ILE A 76 -8.815 6.467 3.344 1.00 62.34 H new ATOM 0 HG12 ILE A 76 -6.025 5.306 2.999 1.00 20.21 H new ATOM 0 HG13 ILE A 76 -7.535 4.420 2.929 1.00 20.21 H new ATOM 0 HG21 ILE A 76 -7.331 8.049 2.163 1.00 55.03 H new ATOM 0 HG22 ILE A 76 -7.712 8.608 3.809 1.00 55.03 H new ATOM 0 HG23 ILE A 76 -6.125 7.882 3.461 1.00 55.03 H new ATOM 0 HD11 ILE A 76 -6.653 4.823 0.685 1.00 54.33 H new ATOM 0 HD12 ILE A 76 -8.197 5.678 0.911 1.00 54.33 H new ATOM 0 HD13 ILE A 76 -6.663 6.578 0.981 1.00 54.33 H new ATOM 1250 N ARG A 77 -7.683 8.157 6.473 1.00 23.31 N ATOM 1251 CA ARG A 77 -8.358 9.237 7.201 1.00 13.33 C ATOM 1252 C ARG A 77 -7.907 10.614 6.693 1.00 22.13 C ATOM 1253 O ARG A 77 -6.718 10.848 6.453 1.00 64.20 O ATOM 1254 CB ARG A 77 -8.118 9.124 8.719 1.00 22.35 C ATOM 1255 CG ARG A 77 -6.693 9.444 9.175 1.00 30.33 C ATOM 1256 CD ARG A 77 -6.575 9.427 10.698 1.00 44.21 C ATOM 1257 NE ARG A 77 -5.278 9.914 11.164 1.00 50.33 N ATOM 1258 CZ ARG A 77 -4.977 10.130 12.419 1.00 70.35 C ATOM 1259 NH1 ARG A 77 -5.840 9.904 13.358 1.00 52.13 N ATOM 1260 NH2 ARG A 77 -3.804 10.562 12.734 1.00 41.41 N ATOM 0 H ARG A 77 -6.666 8.232 6.454 1.00 23.31 H new ATOM 0 HA ARG A 77 -9.427 9.134 7.015 1.00 13.33 H new ATOM 0 HB2 ARG A 77 -8.807 9.796 9.231 1.00 22.35 H new ATOM 0 HB3 ARG A 77 -8.366 8.111 9.036 1.00 22.35 H new ATOM 0 HG2 ARG A 77 -6.001 8.718 8.747 1.00 30.33 H new ATOM 0 HG3 ARG A 77 -6.400 10.424 8.797 1.00 30.33 H new ATOM 0 HD2 ARG A 77 -7.366 10.042 11.127 1.00 44.21 H new ATOM 0 HD3 ARG A 77 -6.729 8.410 11.060 1.00 44.21 H new ATOM 0 HE ARG A 77 -4.559 10.098 10.464 1.00 50.33 H new ATOM 0 HH11 ARG A 77 -6.769 9.553 13.124 1.00 52.13 H new ATOM 0 HH12 ARG A 77 -5.591 10.077 14.332 1.00 52.13 H new ATOM 0 HH21 ARG A 77 -3.112 10.735 12.005 1.00 41.41 H new ATOM 0 HH22 ARG A 77 -3.568 10.731 13.712 1.00 41.41 H new ATOM 1274 N LEU A 78 -8.867 11.518 6.528 1.00 4.13 N ATOM 1275 CA LEU A 78 -8.588 12.886 6.076 1.00 3.52 C ATOM 1276 C LEU A 78 -9.369 13.911 6.912 1.00 71.34 C ATOM 1277 O LEU A 78 -10.309 13.560 7.632 1.00 10.44 O ATOM 1278 CB LEU A 78 -8.924 13.058 4.579 1.00 71.54 C ATOM 1279 CG LEU A 78 -10.415 12.932 4.193 1.00 71.35 C ATOM 1280 CD1 LEU A 78 -10.632 13.347 2.739 1.00 63.24 C ATOM 1281 CD2 LEU A 78 -10.931 11.509 4.417 1.00 44.31 C ATOM 0 H LEU A 78 -9.855 11.330 6.701 1.00 4.13 H new ATOM 0 HA LEU A 78 -7.521 13.065 6.213 1.00 3.52 H new ATOM 0 HB2 LEU A 78 -8.569 14.038 4.259 1.00 71.54 H new ATOM 0 HB3 LEU A 78 -8.360 12.315 4.014 1.00 71.54 H new ATOM 0 HG LEU A 78 -10.980 13.603 4.840 1.00 71.35 H new ATOM 0 HD11 LEU A 78 -11.688 13.251 2.487 1.00 63.24 H new ATOM 0 HD12 LEU A 78 -10.320 14.383 2.606 1.00 63.24 H new ATOM 0 HD13 LEU A 78 -10.043 12.704 2.085 1.00 63.24 H new ATOM 0 HD21 LEU A 78 -11.983 11.455 4.136 1.00 44.31 H new ATOM 0 HD22 LEU A 78 -10.356 10.813 3.806 1.00 44.31 H new ATOM 0 HD23 LEU A 78 -10.823 11.244 5.469 1.00 44.31 H new ATOM 1293 N GLU A 79 -8.976 15.178 6.810 1.00 23.14 N ATOM 1294 CA GLU A 79 -9.602 16.255 7.588 1.00 73.24 C ATOM 1295 C GLU A 79 -11.067 16.489 7.169 1.00 44.15 C ATOM 1296 O GLU A 79 -11.349 17.176 6.184 1.00 73.14 O ATOM 1297 CB GLU A 79 -8.787 17.548 7.437 1.00 1.25 C ATOM 1298 CG GLU A 79 -9.297 18.712 8.284 1.00 71.33 C ATOM 1299 CD GLU A 79 -8.424 19.949 8.158 1.00 74.33 C ATOM 1300 OE1 GLU A 79 -8.681 20.782 7.266 1.00 61.13 O ATOM 1301 OE2 GLU A 79 -7.479 20.101 8.959 1.00 44.41 O ATOM 0 H GLU A 79 -8.224 15.490 6.195 1.00 23.14 H new ATOM 0 HA GLU A 79 -9.610 15.952 8.635 1.00 73.24 H new ATOM 0 HB2 GLU A 79 -7.751 17.344 7.706 1.00 1.25 H new ATOM 0 HB3 GLU A 79 -8.792 17.847 6.389 1.00 1.25 H new ATOM 0 HG2 GLU A 79 -10.315 18.958 7.983 1.00 71.33 H new ATOM 0 HG3 GLU A 79 -9.339 18.406 9.329 1.00 71.33 H new ATOM 1308 N HIS A 80 -11.999 15.896 7.916 1.00 41.04 N ATOM 1309 CA HIS A 80 -13.436 16.075 7.663 1.00 34.51 C ATOM 1310 C HIS A 80 -14.034 17.159 8.579 1.00 30.41 C ATOM 1311 O HIS A 80 -14.005 17.036 9.803 1.00 34.35 O ATOM 1312 CB HIS A 80 -14.191 14.745 7.838 1.00 20.14 C ATOM 1313 CG HIS A 80 -13.956 14.066 9.158 1.00 14.11 C ATOM 1314 ND1 HIS A 80 -14.696 14.335 10.290 1.00 50.45 N ATOM 1315 CD2 HIS A 80 -13.060 13.113 9.522 1.00 33.34 C ATOM 1316 CE1 HIS A 80 -14.267 13.587 11.286 1.00 74.24 C ATOM 1317 NE2 HIS A 80 -13.277 12.838 10.849 1.00 53.21 N ATOM 0 H HIS A 80 -11.787 15.285 8.705 1.00 41.04 H new ATOM 0 HA HIS A 80 -13.552 16.405 6.631 1.00 34.51 H new ATOM 0 HB2 HIS A 80 -15.259 14.930 7.724 1.00 20.14 H new ATOM 0 HB3 HIS A 80 -13.897 14.067 7.037 1.00 20.14 H new ATOM 0 HD2 HIS A 80 -12.316 12.657 8.886 1.00 33.34 H new ATOM 0 HE1 HIS A 80 -14.661 13.588 12.291 1.00 74.24 H new ATOM 0 HE2 HIS A 80 -12.755 12.162 11.407 1.00 53.21 H new ATOM 1326 N HIS A 81 -14.584 18.211 7.973 1.00 20.01 N ATOM 1327 CA HIS A 81 -15.109 19.363 8.719 1.00 2.43 C ATOM 1328 C HIS A 81 -16.595 19.177 9.083 1.00 22.11 C ATOM 1329 O HIS A 81 -17.457 19.083 8.206 1.00 25.12 O ATOM 1330 CB HIS A 81 -14.927 20.643 7.894 1.00 21.14 C ATOM 1331 CG HIS A 81 -13.507 20.897 7.476 1.00 75.14 C ATOM 1332 ND1 HIS A 81 -13.024 20.607 6.215 1.00 21.53 N ATOM 1333 CD2 HIS A 81 -12.461 21.421 8.160 1.00 4.03 C ATOM 1334 CE1 HIS A 81 -11.751 20.935 6.146 1.00 71.32 C ATOM 1335 NE2 HIS A 81 -11.385 21.431 7.308 1.00 3.04 N ATOM 0 H HIS A 81 -14.680 18.293 6.961 1.00 20.01 H new ATOM 0 HA HIS A 81 -14.548 19.444 9.650 1.00 2.43 H new ATOM 0 HB2 HIS A 81 -15.553 20.583 7.004 1.00 21.14 H new ATOM 0 HB3 HIS A 81 -15.282 21.493 8.476 1.00 21.14 H new ATOM 0 HD2 HIS A 81 -12.472 21.766 9.183 1.00 4.03 H new ATOM 0 HE1 HIS A 81 -11.115 20.817 5.281 1.00 71.32 H new ATOM 0 HE2 HIS A 81 -10.451 21.769 7.539 1.00 3.04 H new ATOM 1344 N HIS A 82 -16.890 19.137 10.383 1.00 73.30 N ATOM 1345 CA HIS A 82 -18.263 18.947 10.865 1.00 50.24 C ATOM 1346 C HIS A 82 -19.103 20.229 10.699 1.00 25.33 C ATOM 1347 O HIS A 82 -19.350 20.958 11.662 1.00 44.35 O ATOM 1348 CB HIS A 82 -18.246 18.500 12.336 1.00 5.23 C ATOM 1349 CG HIS A 82 -19.609 18.238 12.919 1.00 13.10 C ATOM 1350 ND1 HIS A 82 -20.289 19.163 13.679 1.00 73.12 N ATOM 1351 CD2 HIS A 82 -20.407 17.143 12.868 1.00 12.44 C ATOM 1352 CE1 HIS A 82 -21.438 18.652 14.070 1.00 60.32 C ATOM 1353 NE2 HIS A 82 -21.537 17.428 13.593 1.00 1.13 N ATOM 0 H HIS A 82 -16.196 19.234 11.124 1.00 73.30 H new ATOM 0 HA HIS A 82 -18.729 18.169 10.261 1.00 50.24 H new ATOM 0 HB2 HIS A 82 -17.647 17.594 12.421 1.00 5.23 H new ATOM 0 HB3 HIS A 82 -17.750 19.267 12.931 1.00 5.23 H new ATOM 0 HD2 HIS A 82 -20.193 16.218 12.353 1.00 12.44 H new ATOM 0 HE1 HIS A 82 -22.176 19.153 14.680 1.00 60.32 H new ATOM 0 HE2 HIS A 82 -22.324 16.796 13.739 1.00 1.13 H new ATOM 1362 N HIS A 83 -19.519 20.507 9.464 1.00 23.14 N ATOM 1363 CA HIS A 83 -20.367 21.672 9.174 1.00 53.01 C ATOM 1364 C HIS A 83 -21.853 21.321 9.324 1.00 32.23 C ATOM 1365 O HIS A 83 -22.247 20.167 9.163 1.00 2.12 O ATOM 1366 CB HIS A 83 -20.103 22.196 7.754 1.00 32.22 C ATOM 1367 CG HIS A 83 -20.521 21.251 6.664 1.00 24.22 C ATOM 1368 ND1 HIS A 83 -21.770 21.283 6.079 1.00 63.32 N ATOM 1369 CD2 HIS A 83 -19.849 20.245 6.049 1.00 61.44 C ATOM 1370 CE1 HIS A 83 -21.849 20.345 5.159 1.00 21.24 C ATOM 1371 NE2 HIS A 83 -20.701 19.703 5.119 1.00 64.44 N ATOM 0 H HIS A 83 -19.285 19.944 8.646 1.00 23.14 H new ATOM 0 HA HIS A 83 -20.115 22.451 9.894 1.00 53.01 H new ATOM 0 HB2 HIS A 83 -20.631 23.141 7.623 1.00 32.22 H new ATOM 0 HB3 HIS A 83 -19.039 22.408 7.648 1.00 32.22 H new ATOM 0 HD1 HIS A 83 -22.517 21.933 6.322 1.00 63.32 H new ATOM 0 HD2 HIS A 83 -18.836 19.930 6.253 1.00 61.44 H new ATOM 0 HE1 HIS A 83 -22.710 20.137 4.541 1.00 21.24 H new ATOM 1380 N HIS A 84 -22.674 22.321 9.624 1.00 2.10 N ATOM 1381 CA HIS A 84 -24.121 22.118 9.749 1.00 44.45 C ATOM 1382 C HIS A 84 -24.847 22.403 8.425 1.00 73.43 C ATOM 1383 O HIS A 84 -24.213 22.679 7.400 1.00 33.14 O ATOM 1384 CB HIS A 84 -24.684 23.000 10.869 1.00 61.22 C ATOM 1385 CG HIS A 84 -24.223 22.599 12.237 1.00 4.13 C ATOM 1386 ND1 HIS A 84 -24.661 21.456 12.868 1.00 33.05 N ATOM 1387 CD2 HIS A 84 -23.360 23.190 13.097 1.00 71.22 C ATOM 1388 CE1 HIS A 84 -24.093 21.361 14.051 1.00 2.21 C ATOM 1389 NE2 HIS A 84 -23.298 22.397 14.216 1.00 4.11 N ATOM 0 H HIS A 84 -22.368 23.280 9.786 1.00 2.10 H new ATOM 0 HA HIS A 84 -24.292 21.071 10.001 1.00 44.45 H new ATOM 0 HB2 HIS A 84 -24.394 24.035 10.686 1.00 61.22 H new ATOM 0 HB3 HIS A 84 -25.773 22.963 10.836 1.00 61.22 H new ATOM 0 HD2 HIS A 84 -22.822 24.112 12.933 1.00 71.22 H new ATOM 0 HE1 HIS A 84 -24.252 20.567 14.766 1.00 2.21 H new ATOM 0 HE2 HIS A 84 -22.728 22.581 15.042 1.00 4.11 H new ATOM 1398 N HIS A 85 -26.178 22.317 8.449 1.00 14.42 N ATOM 1399 CA HIS A 85 -27.005 22.571 7.259 1.00 71.13 C ATOM 1400 C HIS A 85 -28.450 22.937 7.649 1.00 0.35 C ATOM 1401 O HIS A 85 -28.889 24.072 7.355 1.00 36.17 O ATOM 1402 CB HIS A 85 -27.008 21.341 6.338 1.00 52.13 C ATOM 1403 CG HIS A 85 -27.783 21.547 5.069 1.00 65.02 C ATOM 1404 ND1 HIS A 85 -29.048 21.039 4.862 1.00 1.54 N ATOM 1405 CD2 HIS A 85 -27.465 22.215 3.936 1.00 42.00 C ATOM 1406 CE1 HIS A 85 -29.471 21.380 3.663 1.00 31.31 C ATOM 1407 NE2 HIS A 85 -28.530 22.094 3.081 1.00 74.25 N ATOM 1408 OXT HIS A 85 -29.137 22.087 8.253 1.00 36.17 O ATOM 0 H HIS A 85 -26.713 22.072 9.283 1.00 14.42 H new ATOM 0 HA HIS A 85 -26.571 23.417 6.727 1.00 71.13 H new ATOM 0 HB2 HIS A 85 -25.979 21.081 6.088 1.00 52.13 H new ATOM 0 HB3 HIS A 85 -27.429 20.493 6.878 1.00 52.13 H new ATOM 0 HD2 HIS A 85 -26.544 22.745 3.741 1.00 42.00 H new ATOM 0 HE1 HIS A 85 -30.426 21.119 3.231 1.00 31.31 H new ATOM 0 HE2 HIS A 85 -28.585 22.493 2.144 1.00 74.25 H new TER 1417 HIS A 85