USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1084 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 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 LYS NZ :NH3+ -175:sc= 0.586 (180deg=0.568) USER MOD Set 2.1: A 16 SER OG : rot -21:sc= 0.221 USER MOD Set 2.2: A 17 SER OG : rot 78:sc= 0.159 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 82:sc= 0.613 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 13 LYS NZ :NH3+ -156:sc= 1.2 (180deg=0.812) USER MOD Single : A 15 THR OG1 : rot -65:sc= 0.4 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.0469 K(o=0.047,f=-3.8!) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.339 USER MOD Single : A 23 SER OG : rot 81:sc= 0.291 USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 0.417 (180deg=0.31) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -146:sc= 0.138 USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 0.989 (180deg=0.776) USER MOD Single : A 42 THR OG1 : rot -58:sc= 0.589 USER MOD Single : A 44 GLN : amide:sc= -1.85! C(o=-1.8!,f=-1.8!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 26:sc= 0.177 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 120:sc= -2.07! USER MOD Single : A 77 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 79 THR OG1 : rot 160:sc= 1.26 USER MOD Single : A 81 ASN : amide:sc=-0.00266 X(o=-0.0027,f=-0.0027) USER MOD Single : A 85 HIS : no HE2:sc= 0.52 K(o=0.52,f=-2.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 149:sc= 1.25 (180deg=1.13) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 130:sc= -0.175 USER MOD Single : A 115 CYS SG : rot 112:sc= -4.28! USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 TYR OH : rot 25:sc= -1.64! USER MOD Single : A 121 ASN : amide:sc= 1.36 K(o=1.4,f=-3.9!) USER MOD Single : A 127 ASN :FLIP amide:sc= -0.903 F(o=-1.8,f=-0.9) USER MOD Single : A 132 THR OG1 : rot 74:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 140 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.6) USER MOD Single : A 141 LYS NZ :NH3+ 132:sc= 1.26 (180deg=0.393) USER MOD Single : A 147 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 22.349 5.369 -5.802 1.00 2.23 N ATOM 34 CA GLU A 4 20.933 5.279 -5.525 1.00 25.01 C ATOM 35 C GLU A 4 20.735 4.686 -4.142 1.00 25.01 C ATOM 36 O GLU A 4 21.690 4.235 -3.503 1.00 71.44 O ATOM 37 CB GLU A 4 20.214 4.438 -6.579 1.00 43.24 C ATOM 38 CG GLU A 4 20.408 4.915 -8.017 1.00 51.31 C ATOM 39 CD GLU A 4 21.668 4.414 -8.727 1.00 13.54 C ATOM 40 OE1 GLU A 4 22.446 3.636 -8.139 1.00 44.13 O ATOM 41 OE2 GLU A 4 21.843 4.834 -9.895 1.00 34.24 O ATOM 0 HA GLU A 4 20.502 6.280 -5.559 1.00 25.01 H new ATOM 0 HB2 GLU A 4 20.562 3.408 -6.502 1.00 43.24 H new ATOM 0 HB3 GLU A 4 19.148 4.431 -6.353 1.00 43.24 H new ATOM 0 HG2 GLU A 4 19.540 4.608 -8.601 1.00 51.31 H new ATOM 0 HG3 GLU A 4 20.424 6.005 -8.018 1.00 51.31 H new ATOM 48 N GLU A 5 19.500 4.717 -3.664 1.00 61.23 N ATOM 49 CA GLU A 5 19.134 4.234 -2.350 1.00 62.34 C ATOM 50 C GLU A 5 18.759 2.741 -2.449 1.00 4.44 C ATOM 51 O GLU A 5 18.229 2.287 -3.461 1.00 54.54 O ATOM 52 CB GLU A 5 18.054 5.200 -1.842 1.00 13.54 C ATOM 53 CG GLU A 5 17.448 4.840 -0.484 1.00 34.44 C ATOM 54 CD GLU A 5 17.049 6.029 0.405 1.00 34.22 C ATOM 55 OE1 GLU A 5 17.360 7.201 0.131 1.00 62.44 O ATOM 56 OE2 GLU A 5 16.400 5.800 1.456 1.00 74.02 O ATOM 0 H GLU A 5 18.711 5.087 -4.194 1.00 61.23 H new ATOM 0 HA GLU A 5 19.934 4.240 -1.610 1.00 62.34 H new ATOM 0 HB2 GLU A 5 18.484 6.199 -1.777 1.00 13.54 H new ATOM 0 HB3 GLU A 5 17.253 5.245 -2.580 1.00 13.54 H new ATOM 0 HG2 GLU A 5 16.565 4.224 -0.653 1.00 34.44 H new ATOM 0 HG3 GLU A 5 18.165 4.227 0.062 1.00 34.44 H new ATOM 63 N ASP A 6 19.074 1.972 -1.407 1.00 52.43 N ATOM 64 CA ASP A 6 19.139 0.501 -1.388 1.00 64.20 C ATOM 65 C ASP A 6 17.805 -0.087 -0.924 1.00 30.01 C ATOM 66 O ASP A 6 17.195 0.445 -0.001 1.00 25.45 O ATOM 67 CB ASP A 6 20.287 0.109 -0.436 1.00 31.03 C ATOM 68 CG ASP A 6 20.241 -1.292 0.182 1.00 11.45 C ATOM 69 OD1 ASP A 6 19.706 -2.249 -0.412 1.00 41.21 O ATOM 70 OD2 ASP A 6 20.681 -1.396 1.348 1.00 14.41 O ATOM 0 H ASP A 6 19.305 2.377 -0.500 1.00 52.43 H new ATOM 0 HA ASP A 6 19.328 0.105 -2.386 1.00 64.20 H new ATOM 0 HB2 ASP A 6 21.226 0.206 -0.982 1.00 31.03 H new ATOM 0 HB3 ASP A 6 20.314 0.835 0.376 1.00 31.03 H new ATOM 75 N PHE A 7 17.347 -1.187 -1.527 1.00 70.41 N ATOM 76 CA PHE A 7 16.127 -1.911 -1.164 1.00 31.01 C ATOM 77 C PHE A 7 16.095 -2.408 0.294 1.00 12.22 C ATOM 78 O PHE A 7 15.026 -2.781 0.787 1.00 43.41 O ATOM 79 CB PHE A 7 15.892 -3.087 -2.123 1.00 72.13 C ATOM 80 CG PHE A 7 16.729 -4.316 -1.817 1.00 64.22 C ATOM 81 CD1 PHE A 7 16.239 -5.305 -0.941 1.00 34.21 C ATOM 82 CD2 PHE A 7 18.028 -4.437 -2.339 1.00 65.31 C ATOM 83 CE1 PHE A 7 17.041 -6.405 -0.594 1.00 73.41 C ATOM 84 CE2 PHE A 7 18.828 -5.538 -1.995 1.00 71.21 C ATOM 85 CZ PHE A 7 18.336 -6.523 -1.123 1.00 3.31 C ATOM 0 H PHE A 7 17.836 -1.615 -2.313 1.00 70.41 H new ATOM 0 HA PHE A 7 15.320 -1.184 -1.254 1.00 31.01 H new ATOM 0 HB2 PHE A 7 14.838 -3.362 -2.091 1.00 72.13 H new ATOM 0 HB3 PHE A 7 16.106 -2.760 -3.141 1.00 72.13 H new ATOM 0 HD1 PHE A 7 15.242 -5.217 -0.534 1.00 34.21 H new ATOM 0 HD2 PHE A 7 18.412 -3.680 -3.007 1.00 65.31 H new ATOM 0 HE1 PHE A 7 16.662 -7.159 0.079 1.00 73.41 H new ATOM 0 HE2 PHE A 7 19.824 -5.628 -2.402 1.00 71.21 H new ATOM 0 HZ PHE A 7 18.953 -7.370 -0.860 1.00 3.31 H new ATOM 95 N LYS A 8 17.225 -2.433 0.999 1.00 1.44 N ATOM 96 CA LYS A 8 17.269 -2.605 2.445 1.00 33.14 C ATOM 97 C LYS A 8 17.269 -1.247 3.130 1.00 34.11 C ATOM 98 O LYS A 8 16.315 -0.932 3.836 1.00 54.51 O ATOM 99 CB LYS A 8 18.455 -3.498 2.817 1.00 13.32 C ATOM 100 CG LYS A 8 18.681 -3.548 4.329 1.00 53.20 C ATOM 101 CD LYS A 8 19.613 -4.706 4.701 1.00 50.50 C ATOM 102 CE LYS A 8 19.095 -5.394 5.960 1.00 54.20 C ATOM 103 NZ LYS A 8 19.919 -6.552 6.330 1.00 22.44 N ATOM 0 H LYS A 8 18.147 -2.333 0.573 1.00 1.44 H new ATOM 0 HA LYS A 8 16.376 -3.117 2.804 1.00 33.14 H new ATOM 0 HB2 LYS A 8 18.281 -4.507 2.443 1.00 13.32 H new ATOM 0 HB3 LYS A 8 19.356 -3.127 2.328 1.00 13.32 H new ATOM 0 HG2 LYS A 8 19.111 -2.606 4.668 1.00 53.20 H new ATOM 0 HG3 LYS A 8 17.726 -3.665 4.841 1.00 53.20 H new ATOM 0 HD2 LYS A 8 19.668 -5.421 3.880 1.00 50.50 H new ATOM 0 HD3 LYS A 8 20.624 -4.334 4.867 1.00 50.50 H new ATOM 0 HE2 LYS A 8 19.081 -4.680 6.784 1.00 54.20 H new ATOM 0 HE3 LYS A 8 18.066 -5.717 5.800 1.00 54.20 H new ATOM 0 HZ1 LYS A 8 19.534 -6.992 7.190 1.00 22.44 H new ATOM 0 HZ2 LYS A 8 19.912 -7.245 5.554 1.00 22.44 H new ATOM 0 HZ3 LYS A 8 20.895 -6.241 6.508 1.00 22.44 H new ATOM 117 N THR A 9 18.288 -0.420 2.933 1.00 13.53 N ATOM 118 CA THR A 9 18.426 0.826 3.681 1.00 41.21 C ATOM 119 C THR A 9 17.226 1.779 3.503 1.00 63.11 C ATOM 120 O THR A 9 16.855 2.470 4.455 1.00 21.45 O ATOM 121 CB THR A 9 19.765 1.455 3.289 1.00 63.20 C ATOM 122 OG1 THR A 9 20.783 0.516 3.573 1.00 44.54 O ATOM 123 CG2 THR A 9 20.042 2.745 4.052 1.00 54.12 C ATOM 0 H THR A 9 19.035 -0.590 2.259 1.00 13.53 H new ATOM 0 HA THR A 9 18.423 0.614 4.750 1.00 41.21 H new ATOM 0 HB THR A 9 19.735 1.708 2.229 1.00 63.20 H new ATOM 0 HG1 THR A 9 20.841 -0.135 2.843 1.00 44.54 H new ATOM 0 HG21 THR A 9 21.003 3.153 3.739 1.00 54.12 H new ATOM 0 HG22 THR A 9 19.254 3.469 3.841 1.00 54.12 H new ATOM 0 HG23 THR A 9 20.067 2.537 5.122 1.00 54.12 H new ATOM 131 N PHE A 10 16.564 1.802 2.336 1.00 5.42 N ATOM 132 CA PHE A 10 15.377 2.636 2.121 1.00 31.23 C ATOM 133 C PHE A 10 14.235 2.163 3.024 1.00 23.33 C ATOM 134 O PHE A 10 13.397 2.955 3.456 1.00 33.43 O ATOM 135 CB PHE A 10 14.924 2.635 0.637 1.00 12.55 C ATOM 136 CG PHE A 10 13.816 1.691 0.176 1.00 61.10 C ATOM 137 CD1 PHE A 10 13.908 0.297 0.322 1.00 3.45 C ATOM 138 CD2 PHE A 10 12.667 2.227 -0.432 1.00 12.11 C ATOM 139 CE1 PHE A 10 12.850 -0.540 -0.081 1.00 52.51 C ATOM 140 CE2 PHE A 10 11.619 1.394 -0.861 1.00 10.14 C ATOM 141 CZ PHE A 10 11.699 0.007 -0.669 1.00 54.14 C ATOM 0 H PHE A 10 16.835 1.248 1.524 1.00 5.42 H new ATOM 0 HA PHE A 10 15.644 3.661 2.378 1.00 31.23 H new ATOM 0 HB2 PHE A 10 14.607 3.649 0.395 1.00 12.55 H new ATOM 0 HB3 PHE A 10 15.804 2.422 0.030 1.00 12.55 H new ATOM 0 HD1 PHE A 10 14.800 -0.138 0.748 1.00 3.45 H new ATOM 0 HD2 PHE A 10 12.588 3.295 -0.572 1.00 12.11 H new ATOM 0 HE1 PHE A 10 12.924 -1.608 0.063 1.00 52.51 H new ATOM 0 HE2 PHE A 10 10.751 1.823 -1.339 1.00 10.14 H new ATOM 0 HZ PHE A 10 10.883 -0.633 -0.970 1.00 54.14 H new ATOM 151 N LEU A 11 14.199 0.855 3.277 1.00 62.02 N ATOM 152 CA LEU A 11 13.069 0.135 3.813 1.00 54.33 C ATOM 153 C LEU A 11 12.979 0.368 5.302 1.00 24.02 C ATOM 154 O LEU A 11 11.902 0.678 5.778 1.00 74.22 O ATOM 155 CB LEU A 11 13.228 -1.357 3.502 1.00 50.43 C ATOM 156 CG LEU A 11 11.974 -2.200 3.742 1.00 33.43 C ATOM 157 CD1 LEU A 11 10.788 -1.726 2.898 1.00 70.23 C ATOM 158 CD2 LEU A 11 12.336 -3.641 3.367 1.00 34.35 C ATOM 0 H LEU A 11 15.001 0.250 3.102 1.00 62.02 H new ATOM 0 HA LEU A 11 12.147 0.492 3.354 1.00 54.33 H new ATOM 0 HB2 LEU A 11 13.528 -1.466 2.460 1.00 50.43 H new ATOM 0 HB3 LEU A 11 14.039 -1.756 4.111 1.00 50.43 H new ATOM 0 HG LEU A 11 11.667 -2.113 4.784 1.00 33.43 H new ATOM 0 HD11 LEU A 11 9.921 -2.355 3.103 1.00 70.23 H new ATOM 0 HD12 LEU A 11 10.553 -0.692 3.149 1.00 70.23 H new ATOM 0 HD13 LEU A 11 11.044 -1.794 1.841 1.00 70.23 H new ATOM 0 HD21 LEU A 11 11.471 -4.285 3.521 1.00 34.35 H new ATOM 0 HD22 LEU A 11 12.635 -3.680 2.320 1.00 34.35 H new ATOM 0 HD23 LEU A 11 13.160 -3.984 3.993 1.00 34.35 H new ATOM 170 N GLN A 12 14.116 0.328 6.002 1.00 21.01 N ATOM 171 CA GLN A 12 14.227 0.608 7.433 1.00 53.40 C ATOM 172 C GLN A 12 13.439 1.871 7.791 1.00 44.10 C ATOM 173 O GLN A 12 12.602 1.850 8.687 1.00 30.15 O ATOM 174 CB GLN A 12 15.713 0.762 7.806 1.00 32.04 C ATOM 175 CG GLN A 12 16.477 -0.551 7.592 1.00 50.52 C ATOM 176 CD GLN A 12 17.981 -0.448 7.825 1.00 3.42 C ATOM 177 OE1 GLN A 12 18.576 0.627 7.935 1.00 4.32 O ATOM 178 NE2 GLN A 12 18.631 -1.595 7.889 1.00 13.55 N ATOM 0 H GLN A 12 15.011 0.092 5.574 1.00 21.01 H new ATOM 0 HA GLN A 12 13.804 -0.221 8.001 1.00 53.40 H new ATOM 0 HB2 GLN A 12 16.163 1.550 7.202 1.00 32.04 H new ATOM 0 HB3 GLN A 12 15.799 1.070 8.848 1.00 32.04 H new ATOM 0 HG2 GLN A 12 16.069 -1.308 8.261 1.00 50.52 H new ATOM 0 HG3 GLN A 12 16.302 -0.898 6.574 1.00 50.52 H new ATOM 0 HE21 GLN A 12 18.123 -2.475 7.796 1.00 13.55 H new ATOM 0 HE22 GLN A 12 19.641 -1.602 8.031 1.00 13.55 H new ATOM 187 N LYS A 13 13.689 2.943 7.035 1.00 31.25 N ATOM 188 CA LYS A 13 13.065 4.255 7.155 1.00 2.31 C ATOM 189 C LYS A 13 11.598 4.171 6.746 1.00 71.11 C ATOM 190 O LYS A 13 10.713 4.674 7.436 1.00 61.20 O ATOM 191 CB LYS A 13 13.787 5.239 6.230 1.00 24.01 C ATOM 192 CG LYS A 13 15.322 5.222 6.330 1.00 71.14 C ATOM 193 CD LYS A 13 15.873 5.834 5.049 1.00 54.14 C ATOM 194 CE LYS A 13 17.382 5.649 5.023 1.00 54.42 C ATOM 195 NZ LYS A 13 17.953 6.131 3.755 1.00 64.24 N ATOM 0 H LYS A 13 14.373 2.912 6.279 1.00 31.25 H new ATOM 0 HA LYS A 13 13.132 4.594 8.189 1.00 2.31 H new ATOM 0 HB2 LYS A 13 13.503 5.021 5.200 1.00 24.01 H new ATOM 0 HB3 LYS A 13 13.435 6.247 6.451 1.00 24.01 H new ATOM 0 HG2 LYS A 13 15.655 5.789 7.199 1.00 71.14 H new ATOM 0 HG3 LYS A 13 15.686 4.202 6.455 1.00 71.14 H new ATOM 0 HD2 LYS A 13 15.420 5.358 4.179 1.00 54.14 H new ATOM 0 HD3 LYS A 13 15.622 6.894 5.000 1.00 54.14 H new ATOM 0 HE2 LYS A 13 17.832 6.188 5.856 1.00 54.42 H new ATOM 0 HE3 LYS A 13 17.625 4.595 5.157 1.00 54.42 H new ATOM 0 HZ1 LYS A 13 18.859 5.652 3.578 1.00 64.24 H new ATOM 0 HZ2 LYS A 13 17.294 5.924 2.977 1.00 64.24 H new ATOM 0 HZ3 LYS A 13 18.110 7.158 3.813 1.00 64.24 H new ATOM 209 N PHE A 14 11.336 3.552 5.589 1.00 31.44 N ATOM 210 CA PHE A 14 9.996 3.403 5.047 1.00 13.53 C ATOM 211 C PHE A 14 9.078 2.687 6.031 1.00 4.51 C ATOM 212 O PHE A 14 7.891 3.000 6.039 1.00 22.32 O ATOM 213 CB PHE A 14 10.037 2.688 3.692 1.00 11.44 C ATOM 214 CG PHE A 14 8.751 2.792 2.893 1.00 3.13 C ATOM 215 CD1 PHE A 14 8.378 4.021 2.312 1.00 71.20 C ATOM 216 CD2 PHE A 14 7.920 1.667 2.736 1.00 63.33 C ATOM 217 CE1 PHE A 14 7.211 4.110 1.531 1.00 33.13 C ATOM 218 CE2 PHE A 14 6.739 1.762 1.979 1.00 51.51 C ATOM 219 CZ PHE A 14 6.391 2.979 1.368 1.00 23.02 C ATOM 0 H PHE A 14 12.061 3.139 5.003 1.00 31.44 H new ATOM 0 HA PHE A 14 9.582 4.398 4.887 1.00 13.53 H new ATOM 0 HB2 PHE A 14 10.853 3.102 3.100 1.00 11.44 H new ATOM 0 HB3 PHE A 14 10.265 1.635 3.857 1.00 11.44 H new ATOM 0 HD1 PHE A 14 8.990 4.897 2.467 1.00 71.20 H new ATOM 0 HD2 PHE A 14 8.190 0.729 3.198 1.00 63.33 H new ATOM 0 HE1 PHE A 14 6.946 5.044 1.058 1.00 33.13 H new ATOM 0 HE2 PHE A 14 6.099 0.899 1.867 1.00 51.51 H new ATOM 0 HZ PHE A 14 5.493 3.046 0.772 1.00 23.02 H new ATOM 229 N THR A 15 9.617 1.797 6.865 1.00 12.23 N ATOM 230 CA THR A 15 8.904 1.008 7.849 1.00 65.40 C ATOM 231 C THR A 15 9.249 1.492 9.270 1.00 71.33 C ATOM 232 O THR A 15 9.274 0.688 10.200 1.00 5.53 O ATOM 233 CB THR A 15 9.123 -0.504 7.580 1.00 14.51 C ATOM 234 OG1 THR A 15 10.447 -0.917 7.868 1.00 2.12 O ATOM 235 CG2 THR A 15 8.885 -0.918 6.118 1.00 4.12 C ATOM 0 H THR A 15 10.618 1.603 6.866 1.00 12.23 H new ATOM 0 HA THR A 15 7.827 1.154 7.761 1.00 65.40 H new ATOM 0 HB THR A 15 8.393 -0.977 8.236 1.00 14.51 H new ATOM 0 HG1 THR A 15 11.069 -0.474 7.253 1.00 2.12 H new ATOM 0 HG21 THR A 15 9.058 -1.989 6.010 1.00 4.12 H new ATOM 0 HG22 THR A 15 7.858 -0.686 5.837 1.00 4.12 H new ATOM 0 HG23 THR A 15 9.571 -0.373 5.469 1.00 4.12 H new ATOM 243 N SER A 16 9.552 2.779 9.466 1.00 51.12 N ATOM 244 CA SER A 16 9.650 3.385 10.793 1.00 11.32 C ATOM 245 C SER A 16 9.080 4.780 10.884 1.00 52.11 C ATOM 246 O SER A 16 9.050 5.322 11.984 1.00 50.33 O ATOM 247 CB SER A 16 11.110 3.401 11.258 1.00 41.31 C ATOM 248 OG SER A 16 11.924 4.242 10.445 1.00 21.15 O ATOM 0 H SER A 16 9.737 3.431 8.704 1.00 51.12 H new ATOM 0 HA SER A 16 9.040 2.761 11.446 1.00 11.32 H new ATOM 0 HB2 SER A 16 11.157 3.743 12.292 1.00 41.31 H new ATOM 0 HB3 SER A 16 11.507 2.386 11.239 1.00 41.31 H new ATOM 0 HG SER A 16 11.492 4.374 9.575 1.00 21.15 H new ATOM 254 N SER A 17 8.695 5.384 9.766 1.00 63.23 N ATOM 255 CA SER A 17 8.528 6.807 9.744 1.00 12.14 C ATOM 256 C SER A 17 7.363 7.175 8.833 1.00 32.03 C ATOM 257 O SER A 17 7.476 7.092 7.605 1.00 42.52 O ATOM 258 CB SER A 17 9.870 7.435 9.330 1.00 42.41 C ATOM 259 OG SER A 17 10.869 7.179 10.305 1.00 21.43 O ATOM 0 H SER A 17 8.499 4.909 8.885 1.00 63.23 H new ATOM 0 HA SER A 17 8.269 7.203 10.726 1.00 12.14 H new ATOM 0 HB2 SER A 17 10.184 7.032 8.367 1.00 42.41 H new ATOM 0 HB3 SER A 17 9.749 8.511 9.201 1.00 42.41 H new ATOM 0 HG SER A 17 11.197 6.261 10.204 1.00 21.43 H new ATOM 265 N ALA A 18 6.251 7.608 9.433 1.00 33.05 N ATOM 266 CA ALA A 18 5.050 8.072 8.751 1.00 31.41 C ATOM 267 C ALA A 18 5.370 9.131 7.691 1.00 5.13 C ATOM 268 O ALA A 18 4.995 8.972 6.525 1.00 41.31 O ATOM 269 CB ALA A 18 4.062 8.622 9.781 1.00 23.13 C ATOM 0 H ALA A 18 6.164 7.645 10.449 1.00 33.05 H new ATOM 0 HA ALA A 18 4.602 7.225 8.231 1.00 31.41 H new ATOM 0 HB1 ALA A 18 3.163 8.970 9.273 1.00 23.13 H new ATOM 0 HB2 ALA A 18 3.798 7.836 10.488 1.00 23.13 H new ATOM 0 HB3 ALA A 18 4.520 9.453 10.317 1.00 23.13 H new ATOM 275 N SER A 19 6.076 10.196 8.086 1.00 1.52 N ATOM 276 CA SER A 19 6.415 11.287 7.186 1.00 73.43 C ATOM 277 C SER A 19 7.227 10.768 5.999 1.00 61.04 C ATOM 278 O SER A 19 6.977 11.143 4.857 1.00 63.44 O ATOM 279 CB SER A 19 7.161 12.379 7.963 1.00 52.51 C ATOM 280 OG SER A 19 8.450 11.953 8.378 1.00 64.02 O ATOM 0 H SER A 19 6.424 10.319 9.037 1.00 1.52 H new ATOM 0 HA SER A 19 5.503 11.726 6.780 1.00 73.43 H new ATOM 0 HB2 SER A 19 7.257 13.267 7.338 1.00 52.51 H new ATOM 0 HB3 SER A 19 6.576 12.666 8.837 1.00 52.51 H new ATOM 0 HG SER A 19 8.892 12.678 8.868 1.00 64.02 H new ATOM 286 N PHE A 20 8.231 9.925 6.255 1.00 3.13 N ATOM 287 CA PHE A 20 9.097 9.388 5.218 1.00 33.31 C ATOM 288 C PHE A 20 8.289 8.493 4.276 1.00 63.02 C ATOM 289 O PHE A 20 8.438 8.618 3.061 1.00 65.34 O ATOM 290 CB PHE A 20 10.268 8.643 5.860 1.00 32.22 C ATOM 291 CG PHE A 20 11.267 8.096 4.864 1.00 2.25 C ATOM 292 CD1 PHE A 20 11.035 6.843 4.276 1.00 73.20 C ATOM 293 CD2 PHE A 20 12.434 8.811 4.543 1.00 5.32 C ATOM 294 CE1 PHE A 20 11.980 6.272 3.410 1.00 14.44 C ATOM 295 CE2 PHE A 20 13.377 8.249 3.665 1.00 12.12 C ATOM 296 CZ PHE A 20 13.163 6.972 3.118 1.00 14.24 C ATOM 0 H PHE A 20 8.462 9.598 7.193 1.00 3.13 H new ATOM 0 HA PHE A 20 9.511 10.200 4.620 1.00 33.31 H new ATOM 0 HB2 PHE A 20 10.784 9.317 6.544 1.00 32.22 H new ATOM 0 HB3 PHE A 20 9.878 7.819 6.458 1.00 32.22 H new ATOM 0 HD1 PHE A 20 10.119 6.313 4.492 1.00 73.20 H new ATOM 0 HD2 PHE A 20 12.605 9.788 4.969 1.00 5.32 H new ATOM 0 HE1 PHE A 20 11.799 5.302 2.971 1.00 14.44 H new ATOM 0 HE2 PHE A 20 14.270 8.801 3.410 1.00 12.12 H new ATOM 0 HZ PHE A 20 13.908 6.529 2.473 1.00 14.24 H new ATOM 306 N GLN A 21 7.426 7.618 4.812 1.00 33.03 N ATOM 307 CA GLN A 21 6.523 6.789 4.024 1.00 50.12 C ATOM 308 C GLN A 21 5.785 7.677 3.016 1.00 32.22 C ATOM 309 O GLN A 21 5.917 7.471 1.806 1.00 50.50 O ATOM 310 CB GLN A 21 5.599 5.953 4.930 1.00 1.25 C ATOM 311 CG GLN A 21 4.663 5.058 4.095 1.00 14.24 C ATOM 312 CD GLN A 21 4.286 3.733 4.761 1.00 23.41 C ATOM 313 OE1 GLN A 21 3.109 3.421 4.898 1.00 22.35 O ATOM 314 NE2 GLN A 21 5.263 2.927 5.144 1.00 71.21 N ATOM 0 H GLN A 21 7.340 7.470 5.817 1.00 33.03 H new ATOM 0 HA GLN A 21 7.085 6.052 3.450 1.00 50.12 H new ATOM 0 HB2 GLN A 21 6.201 5.334 5.596 1.00 1.25 H new ATOM 0 HB3 GLN A 21 5.006 6.616 5.560 1.00 1.25 H new ATOM 0 HG2 GLN A 21 3.750 5.613 3.878 1.00 14.24 H new ATOM 0 HG3 GLN A 21 5.142 4.846 3.139 1.00 14.24 H new ATOM 0 HE21 GLN A 21 6.235 3.209 5.019 1.00 71.21 H new ATOM 0 HE22 GLN A 21 5.044 2.024 5.564 1.00 71.21 H new ATOM 323 N TYR A 22 5.075 8.703 3.495 1.00 62.22 N ATOM 324 CA TYR A 22 4.358 9.649 2.644 1.00 42.14 C ATOM 325 C TYR A 22 5.265 10.307 1.609 1.00 52.20 C ATOM 326 O TYR A 22 4.976 10.252 0.411 1.00 73.21 O ATOM 327 CB TYR A 22 3.674 10.717 3.496 1.00 2.31 C ATOM 328 CG TYR A 22 2.416 10.230 4.170 1.00 43.50 C ATOM 329 CD1 TYR A 22 1.363 9.721 3.390 1.00 65.22 C ATOM 330 CD2 TYR A 22 2.271 10.342 5.565 1.00 70.32 C ATOM 331 CE1 TYR A 22 0.191 9.281 4.013 1.00 13.24 C ATOM 332 CE2 TYR A 22 1.088 9.924 6.194 1.00 41.40 C ATOM 333 CZ TYR A 22 0.044 9.381 5.414 1.00 23.11 C ATOM 334 OH TYR A 22 -1.071 8.880 6.008 1.00 43.41 O ATOM 0 H TYR A 22 4.983 8.899 4.492 1.00 62.22 H new ATOM 0 HA TYR A 22 3.605 9.079 2.099 1.00 42.14 H new ATOM 0 HB2 TYR A 22 4.372 11.067 4.256 1.00 2.31 H new ATOM 0 HB3 TYR A 22 3.432 11.573 2.867 1.00 2.31 H new ATOM 0 HD1 TYR A 22 1.459 9.670 2.315 1.00 65.22 H new ATOM 0 HD2 TYR A 22 3.076 10.753 6.156 1.00 70.32 H new ATOM 0 HE1 TYR A 22 -0.607 8.862 3.419 1.00 13.24 H new ATOM 0 HE2 TYR A 22 0.977 10.017 7.264 1.00 41.40 H new ATOM 0 HH TYR A 22 -1.020 9.026 6.976 1.00 43.41 H new ATOM 344 N SER A 23 6.394 10.876 2.026 1.00 41.11 N ATOM 345 CA SER A 23 7.326 11.554 1.138 1.00 63.02 C ATOM 346 C SER A 23 7.932 10.646 0.056 1.00 32.22 C ATOM 347 O SER A 23 8.582 11.153 -0.862 1.00 51.21 O ATOM 348 CB SER A 23 8.426 12.196 1.983 1.00 63.04 C ATOM 349 OG SER A 23 7.873 13.190 2.827 1.00 61.43 O ATOM 0 H SER A 23 6.688 10.877 3.003 1.00 41.11 H new ATOM 0 HA SER A 23 6.763 12.311 0.592 1.00 63.02 H new ATOM 0 HB2 SER A 23 8.925 11.435 2.583 1.00 63.04 H new ATOM 0 HB3 SER A 23 9.182 12.638 1.335 1.00 63.04 H new ATOM 0 HG SER A 23 7.484 12.766 3.620 1.00 61.43 H new ATOM 355 N ARG A 24 7.735 9.324 0.085 1.00 12.23 N ATOM 356 CA ARG A 24 8.222 8.390 -0.915 1.00 30.15 C ATOM 357 C ARG A 24 7.054 7.890 -1.769 1.00 42.13 C ATOM 358 O ARG A 24 7.278 7.084 -2.664 1.00 1.14 O ATOM 359 CB ARG A 24 8.976 7.254 -0.199 1.00 11.13 C ATOM 360 CG ARG A 24 10.467 7.514 0.106 1.00 14.53 C ATOM 361 CD ARG A 24 10.852 8.823 0.818 1.00 74.23 C ATOM 362 NE ARG A 24 11.163 9.934 -0.098 1.00 5.52 N ATOM 363 CZ ARG A 24 12.378 10.242 -0.575 1.00 3.12 C ATOM 364 NH1 ARG A 24 13.417 9.424 -0.404 1.00 24.33 N ATOM 365 NH2 ARG A 24 12.538 11.396 -1.218 1.00 22.25 N ATOM 0 H ARG A 24 7.214 8.867 0.833 1.00 12.23 H new ATOM 0 HA ARG A 24 8.920 8.873 -1.598 1.00 30.15 H new ATOM 0 HB2 ARG A 24 8.466 7.043 0.741 1.00 11.13 H new ATOM 0 HB3 ARG A 24 8.903 6.355 -0.811 1.00 11.13 H new ATOM 0 HG2 ARG A 24 10.830 6.686 0.715 1.00 14.53 H new ATOM 0 HG3 ARG A 24 11.010 7.478 -0.838 1.00 14.53 H new ATOM 0 HD2 ARG A 24 10.033 9.123 1.472 1.00 74.23 H new ATOM 0 HD3 ARG A 24 11.717 8.637 1.455 1.00 74.23 H new ATOM 0 HE ARG A 24 10.384 10.522 -0.396 1.00 5.52 H new ATOM 0 HH11 ARG A 24 13.296 8.544 0.098 1.00 24.33 H new ATOM 0 HH12 ARG A 24 14.333 9.678 -0.775 1.00 24.33 H new ATOM 0 HH21 ARG A 24 11.745 12.026 -1.340 1.00 22.25 H new ATOM 0 HH22 ARG A 24 13.453 11.650 -1.589 1.00 22.25 H new ATOM 379 N ILE A 25 5.818 8.364 -1.602 1.00 61.24 N ATOM 380 CA ILE A 25 4.657 7.860 -2.343 1.00 24.02 C ATOM 381 C ILE A 25 4.192 8.915 -3.357 1.00 45.22 C ATOM 382 O ILE A 25 3.994 10.078 -2.995 1.00 4.21 O ATOM 383 CB ILE A 25 3.591 7.435 -1.312 1.00 74.43 C ATOM 384 CG1 ILE A 25 4.050 6.172 -0.551 1.00 31.23 C ATOM 385 CG2 ILE A 25 2.253 7.141 -1.986 1.00 54.30 C ATOM 386 CD1 ILE A 25 3.301 5.967 0.763 1.00 70.01 C ATOM 0 H ILE A 25 5.592 9.112 -0.946 1.00 61.24 H new ATOM 0 HA ILE A 25 4.893 6.980 -2.941 1.00 24.02 H new ATOM 0 HB ILE A 25 3.465 8.264 -0.616 1.00 74.43 H new ATOM 0 HG12 ILE A 25 3.905 5.298 -1.186 1.00 31.23 H new ATOM 0 HG13 ILE A 25 5.118 6.245 -0.347 1.00 31.23 H new ATOM 0 HG21 ILE A 25 1.523 6.844 -1.232 1.00 54.30 H new ATOM 0 HG22 ILE A 25 1.900 8.035 -2.500 1.00 54.30 H new ATOM 0 HG23 ILE A 25 2.379 6.333 -2.707 1.00 54.30 H new ATOM 0 HD11 ILE A 25 3.666 5.064 1.253 1.00 70.01 H new ATOM 0 HD12 ILE A 25 3.466 6.826 1.414 1.00 70.01 H new ATOM 0 HD13 ILE A 25 2.235 5.864 0.562 1.00 70.01 H new ATOM 398 N LYS A 26 4.099 8.554 -4.651 1.00 50.12 N ATOM 399 CA LYS A 26 3.343 9.340 -5.630 1.00 71.41 C ATOM 400 C LYS A 26 1.872 9.110 -5.360 1.00 65.02 C ATOM 401 O LYS A 26 1.493 8.084 -4.809 1.00 21.23 O ATOM 402 CB LYS A 26 3.596 8.916 -7.094 1.00 53.13 C ATOM 403 CG LYS A 26 4.601 9.810 -7.811 1.00 41.13 C ATOM 404 CD LYS A 26 6.051 9.373 -7.654 1.00 52.23 C ATOM 405 CE LYS A 26 6.934 10.608 -7.770 1.00 70.14 C ATOM 406 NZ LYS A 26 7.386 11.186 -6.487 1.00 44.44 N ATOM 0 H LYS A 26 4.541 7.720 -5.038 1.00 50.12 H new ATOM 0 HA LYS A 26 3.658 10.378 -5.521 1.00 71.41 H new ATOM 0 HB2 LYS A 26 3.957 7.888 -7.111 1.00 53.13 H new ATOM 0 HB3 LYS A 26 2.652 8.931 -7.639 1.00 53.13 H new ATOM 0 HG2 LYS A 26 4.354 9.836 -8.872 1.00 41.13 H new ATOM 0 HG3 LYS A 26 4.498 10.828 -7.435 1.00 41.13 H new ATOM 0 HD2 LYS A 26 6.200 8.888 -6.689 1.00 52.23 H new ATOM 0 HD3 LYS A 26 6.314 8.644 -8.421 1.00 52.23 H new ATOM 0 HE2 LYS A 26 7.812 10.352 -8.363 1.00 70.14 H new ATOM 0 HE3 LYS A 26 6.389 11.373 -8.322 1.00 70.14 H new ATOM 0 HZ1 LYS A 26 7.725 12.157 -6.644 1.00 44.44 H new ATOM 0 HZ2 LYS A 26 6.593 11.201 -5.814 1.00 44.44 H new ATOM 0 HZ3 LYS A 26 8.159 10.608 -6.099 1.00 44.44 H new ATOM 420 N PHE A 27 1.043 10.023 -5.835 1.00 31.22 N ATOM 421 CA PHE A 27 -0.395 9.866 -5.828 1.00 1.55 C ATOM 422 C PHE A 27 -1.013 10.805 -6.872 1.00 31.33 C ATOM 423 O PHE A 27 -0.332 11.716 -7.342 1.00 45.51 O ATOM 424 CB PHE A 27 -0.886 10.163 -4.408 1.00 11.41 C ATOM 425 CG PHE A 27 -0.295 11.363 -3.683 1.00 1.41 C ATOM 426 CD1 PHE A 27 -0.698 12.674 -3.999 1.00 24.21 C ATOM 427 CD2 PHE A 27 0.652 11.159 -2.659 1.00 5.11 C ATOM 428 CE1 PHE A 27 -0.167 13.764 -3.286 1.00 32.01 C ATOM 429 CE2 PHE A 27 1.184 12.249 -1.947 1.00 33.33 C ATOM 430 CZ PHE A 27 0.766 13.555 -2.255 1.00 65.41 C ATOM 0 H PHE A 27 1.357 10.904 -6.241 1.00 31.22 H new ATOM 0 HA PHE A 27 -0.695 8.853 -6.096 1.00 1.55 H new ATOM 0 HB2 PHE A 27 -1.967 10.298 -4.450 1.00 11.41 H new ATOM 0 HB3 PHE A 27 -0.698 9.279 -3.798 1.00 11.41 H new ATOM 0 HD1 PHE A 27 -1.415 12.843 -4.789 1.00 24.21 H new ATOM 0 HD2 PHE A 27 0.972 10.156 -2.419 1.00 5.11 H new ATOM 0 HE1 PHE A 27 -0.478 14.769 -3.532 1.00 32.01 H new ATOM 0 HE2 PHE A 27 1.911 12.083 -1.166 1.00 33.33 H new ATOM 0 HZ PHE A 27 1.160 14.395 -1.702 1.00 65.41 H new ATOM 440 N PRO A 28 -2.284 10.609 -7.258 1.00 24.12 N ATOM 441 CA PRO A 28 -2.962 9.324 -7.236 1.00 21.00 C ATOM 442 C PRO A 28 -2.383 8.395 -8.287 1.00 33.25 C ATOM 443 O PRO A 28 -1.729 8.800 -9.253 1.00 14.55 O ATOM 444 CB PRO A 28 -4.427 9.644 -7.549 1.00 11.24 C ATOM 445 CG PRO A 28 -4.309 10.834 -8.504 1.00 33.04 C ATOM 446 CD PRO A 28 -3.085 11.587 -7.981 1.00 21.23 C ATOM 0 HA PRO A 28 -2.848 8.818 -6.277 1.00 21.00 H new ATOM 0 HB2 PRO A 28 -4.937 8.800 -8.014 1.00 11.24 H new ATOM 0 HB3 PRO A 28 -4.988 9.899 -6.650 1.00 11.24 H new ATOM 0 HG2 PRO A 28 -4.171 10.510 -9.535 1.00 33.04 H new ATOM 0 HG3 PRO A 28 -5.203 11.457 -8.483 1.00 33.04 H new ATOM 0 HD2 PRO A 28 -2.517 12.025 -8.802 1.00 21.23 H new ATOM 0 HD3 PRO A 28 -3.382 12.407 -7.327 1.00 21.23 H new ATOM 454 N LEU A 29 -2.616 7.123 -8.017 1.00 21.04 N ATOM 455 CA LEU A 29 -1.963 6.014 -8.644 1.00 51.22 C ATOM 456 C LEU A 29 -2.598 5.606 -9.965 1.00 14.45 C ATOM 457 O LEU A 29 -3.627 6.135 -10.396 1.00 33.33 O ATOM 458 CB LEU A 29 -2.055 4.884 -7.629 1.00 24.33 C ATOM 459 CG LEU A 29 -1.235 5.139 -6.351 1.00 25.14 C ATOM 460 CD1 LEU A 29 0.094 5.875 -6.454 1.00 11.13 C ATOM 461 CD2 LEU A 29 -2.020 5.656 -5.172 1.00 23.32 C ATOM 0 H LEU A 29 -3.301 6.833 -7.319 1.00 21.04 H new ATOM 0 HA LEU A 29 -0.937 6.273 -8.904 1.00 51.22 H new ATOM 0 HB2 LEU A 29 -3.100 4.735 -7.357 1.00 24.33 H new ATOM 0 HB3 LEU A 29 -1.711 3.960 -8.094 1.00 24.33 H new ATOM 0 HG LEU A 29 -0.952 4.102 -6.169 1.00 25.14 H new ATOM 0 HD11 LEU A 29 0.536 5.968 -5.462 1.00 11.13 H new ATOM 0 HD12 LEU A 29 0.770 5.317 -7.102 1.00 11.13 H new ATOM 0 HD13 LEU A 29 -0.071 6.868 -6.872 1.00 11.13 H new ATOM 0 HD21 LEU A 29 -1.350 5.802 -4.325 1.00 23.32 H new ATOM 0 HD22 LEU A 29 -2.486 6.606 -5.434 1.00 23.32 H new ATOM 0 HD23 LEU A 29 -2.792 4.934 -4.904 1.00 23.32 H new ATOM 473 N LYS A 30 -1.946 4.620 -10.574 1.00 51.30 N ATOM 474 CA LYS A 30 -2.366 3.899 -11.763 1.00 42.13 C ATOM 475 C LYS A 30 -3.582 3.003 -11.506 1.00 74.43 C ATOM 476 O LYS A 30 -4.197 2.519 -12.454 1.00 13.42 O ATOM 477 CB LYS A 30 -1.172 3.092 -12.260 1.00 52.11 C ATOM 478 CG LYS A 30 0.005 4.001 -12.648 1.00 30.13 C ATOM 479 CD LYS A 30 1.130 3.224 -13.329 1.00 43.51 C ATOM 480 CE LYS A 30 2.344 4.152 -13.460 1.00 31.03 C ATOM 481 NZ LYS A 30 3.206 3.753 -14.581 1.00 65.14 N ATOM 0 H LYS A 30 -1.049 4.284 -10.223 1.00 51.30 H new ATOM 0 HA LYS A 30 -2.687 4.611 -12.524 1.00 42.13 H new ATOM 0 HB2 LYS A 30 -0.854 2.396 -11.484 1.00 52.11 H new ATOM 0 HB3 LYS A 30 -1.470 2.494 -13.121 1.00 52.11 H new ATOM 0 HG2 LYS A 30 -0.349 4.786 -13.316 1.00 30.13 H new ATOM 0 HG3 LYS A 30 0.393 4.492 -11.756 1.00 30.13 H new ATOM 0 HD2 LYS A 30 1.389 2.340 -12.746 1.00 43.51 H new ATOM 0 HD3 LYS A 30 0.811 2.875 -14.311 1.00 43.51 H new ATOM 0 HE2 LYS A 30 2.006 5.178 -13.607 1.00 31.03 H new ATOM 0 HE3 LYS A 30 2.918 4.135 -12.534 1.00 31.03 H new ATOM 0 HZ1 LYS A 30 4.018 4.400 -14.642 1.00 65.14 H new ATOM 0 HZ2 LYS A 30 3.548 2.783 -14.428 1.00 65.14 H new ATOM 0 HZ3 LYS A 30 2.664 3.793 -15.467 1.00 65.14 H new ATOM 495 N SER A 31 -3.941 2.775 -10.249 1.00 10.13 N ATOM 496 CA SER A 31 -5.062 1.987 -9.777 1.00 12.55 C ATOM 497 C SER A 31 -6.015 2.975 -9.088 1.00 63.41 C ATOM 498 O SER A 31 -5.900 3.210 -7.882 1.00 33.45 O ATOM 499 CB SER A 31 -4.477 0.902 -8.863 1.00 2.15 C ATOM 500 OG SER A 31 -5.379 -0.031 -8.304 1.00 34.31 O ATOM 0 H SER A 31 -3.409 3.171 -9.474 1.00 10.13 H new ATOM 0 HA SER A 31 -5.635 1.472 -10.548 1.00 12.55 H new ATOM 0 HB2 SER A 31 -3.729 0.349 -9.432 1.00 2.15 H new ATOM 0 HB3 SER A 31 -3.953 1.397 -8.045 1.00 2.15 H new ATOM 0 HG SER A 31 -5.073 -0.285 -7.408 1.00 34.31 H new ATOM 506 N PRO A 32 -6.914 3.645 -9.833 1.00 14.43 N ATOM 507 CA PRO A 32 -8.011 4.370 -9.210 1.00 61.03 C ATOM 508 C PRO A 32 -8.945 3.365 -8.523 1.00 41.30 C ATOM 509 O PRO A 32 -9.051 2.210 -8.935 1.00 1.13 O ATOM 510 CB PRO A 32 -8.693 5.130 -10.348 1.00 11.52 C ATOM 511 CG PRO A 32 -8.431 4.250 -11.569 1.00 41.50 C ATOM 512 CD PRO A 32 -7.050 3.658 -11.284 1.00 4.51 C ATOM 0 HA PRO A 32 -7.690 5.069 -8.438 1.00 61.03 H new ATOM 0 HB2 PRO A 32 -9.760 5.255 -10.165 1.00 11.52 H new ATOM 0 HB3 PRO A 32 -8.272 6.128 -10.474 1.00 11.52 H new ATOM 0 HG2 PRO A 32 -9.188 3.473 -11.675 1.00 41.50 H new ATOM 0 HG3 PRO A 32 -8.438 4.830 -12.492 1.00 41.50 H new ATOM 0 HD2 PRO A 32 -6.964 2.652 -11.694 1.00 4.51 H new ATOM 0 HD3 PRO A 32 -6.265 4.258 -11.745 1.00 4.51 H new ATOM 520 N ILE A 33 -9.636 3.809 -7.475 1.00 72.42 N ATOM 521 CA ILE A 33 -10.517 2.960 -6.682 1.00 74.21 C ATOM 522 C ILE A 33 -11.813 2.836 -7.473 1.00 43.41 C ATOM 523 O ILE A 33 -12.562 3.813 -7.559 1.00 4.12 O ATOM 524 CB ILE A 33 -10.755 3.568 -5.281 1.00 73.00 C ATOM 525 CG1 ILE A 33 -9.427 3.775 -4.531 1.00 73.44 C ATOM 526 CG2 ILE A 33 -11.665 2.661 -4.437 1.00 54.30 C ATOM 527 CD1 ILE A 33 -9.566 4.669 -3.305 1.00 53.32 C ATOM 0 H ILE A 33 -9.599 4.776 -7.151 1.00 72.42 H new ATOM 0 HA ILE A 33 -10.077 1.978 -6.510 1.00 74.21 H new ATOM 0 HB ILE A 33 -11.238 4.534 -5.429 1.00 73.00 H new ATOM 0 HG12 ILE A 33 -9.035 2.805 -4.224 1.00 73.44 H new ATOM 0 HG13 ILE A 33 -8.697 4.213 -5.212 1.00 73.44 H new ATOM 0 HG21 ILE A 33 -11.817 3.110 -3.456 1.00 54.30 H new ATOM 0 HG22 ILE A 33 -12.627 2.545 -4.936 1.00 54.30 H new ATOM 0 HG23 ILE A 33 -11.197 1.684 -4.320 1.00 54.30 H new ATOM 0 HD11 ILE A 33 -8.595 4.776 -2.820 1.00 53.32 H new ATOM 0 HD12 ILE A 33 -9.929 5.650 -3.610 1.00 53.32 H new ATOM 0 HD13 ILE A 33 -10.273 4.221 -2.607 1.00 53.32 H new ATOM 539 N ALA A 34 -12.071 1.680 -8.075 1.00 24.22 N ATOM 540 CA ALA A 34 -13.323 1.361 -8.738 1.00 21.02 C ATOM 541 C ALA A 34 -14.212 0.573 -7.776 1.00 25.24 C ATOM 542 O ALA A 34 -13.841 -0.541 -7.383 1.00 2.31 O ATOM 543 CB ALA A 34 -13.041 0.572 -10.022 1.00 42.51 C ATOM 0 H ALA A 34 -11.393 0.919 -8.114 1.00 24.22 H new ATOM 0 HA ALA A 34 -13.847 2.275 -9.018 1.00 21.02 H new ATOM 0 HB1 ALA A 34 -13.982 0.334 -10.517 1.00 42.51 H new ATOM 0 HB2 ALA A 34 -12.422 1.172 -10.689 1.00 42.51 H new ATOM 0 HB3 ALA A 34 -12.518 -0.352 -9.774 1.00 42.51 H new ATOM 549 N LEU A 35 -15.341 1.158 -7.358 1.00 24.13 N ATOM 550 CA LEU A 35 -16.374 0.473 -6.581 1.00 13.52 C ATOM 551 C LEU A 35 -17.549 0.084 -7.498 1.00 34.33 C ATOM 552 O LEU A 35 -17.458 0.272 -8.715 1.00 54.32 O ATOM 553 CB LEU A 35 -16.800 1.411 -5.435 1.00 13.41 C ATOM 554 CG LEU A 35 -15.781 1.640 -4.309 1.00 25.05 C ATOM 555 CD1 LEU A 35 -14.726 0.543 -4.097 1.00 11.54 C ATOM 556 CD2 LEU A 35 -15.172 3.035 -4.319 1.00 33.01 C ATOM 0 H LEU A 35 -15.563 2.134 -7.554 1.00 24.13 H new ATOM 0 HA LEU A 35 -15.999 -0.455 -6.150 1.00 13.52 H new ATOM 0 HB2 LEU A 35 -17.053 2.380 -5.866 1.00 13.41 H new ATOM 0 HB3 LEU A 35 -17.712 1.012 -4.991 1.00 13.41 H new ATOM 0 HG LEU A 35 -16.406 1.561 -3.420 1.00 25.05 H new ATOM 0 HD11 LEU A 35 -14.068 0.825 -3.275 1.00 11.54 H new ATOM 0 HD12 LEU A 35 -15.222 -0.398 -3.859 1.00 11.54 H new ATOM 0 HD13 LEU A 35 -14.138 0.423 -5.007 1.00 11.54 H new ATOM 0 HD21 LEU A 35 -14.462 3.128 -3.498 1.00 33.01 H new ATOM 0 HD22 LEU A 35 -14.656 3.200 -5.265 1.00 33.01 H new ATOM 0 HD23 LEU A 35 -15.961 3.777 -4.202 1.00 33.01 H new ATOM 568 N LEU A 36 -18.655 -0.420 -6.927 1.00 70.43 N ATOM 569 CA LEU A 36 -19.962 -0.571 -7.577 1.00 10.41 C ATOM 570 C LEU A 36 -20.957 0.429 -6.981 1.00 12.14 C ATOM 571 O LEU A 36 -21.036 0.566 -5.758 1.00 30.12 O ATOM 572 CB LEU A 36 -20.516 -1.991 -7.410 1.00 50.52 C ATOM 573 CG LEU A 36 -19.738 -3.086 -8.154 1.00 64.40 C ATOM 574 CD1 LEU A 36 -20.452 -4.430 -7.981 1.00 10.32 C ATOM 575 CD2 LEU A 36 -19.553 -2.802 -9.651 1.00 63.30 C ATOM 0 H LEU A 36 -18.661 -0.746 -5.960 1.00 70.43 H new ATOM 0 HA LEU A 36 -19.826 -0.379 -8.641 1.00 10.41 H new ATOM 0 HB2 LEU A 36 -20.531 -2.236 -6.348 1.00 50.52 H new ATOM 0 HB3 LEU A 36 -21.550 -2.004 -7.755 1.00 50.52 H new ATOM 0 HG LEU A 36 -18.742 -3.110 -7.712 1.00 64.40 H new ATOM 0 HD11 LEU A 36 -19.899 -5.206 -8.509 1.00 10.32 H new ATOM 0 HD12 LEU A 36 -20.505 -4.680 -6.921 1.00 10.32 H new ATOM 0 HD13 LEU A 36 -21.460 -4.361 -8.389 1.00 10.32 H new ATOM 0 HD21 LEU A 36 -18.995 -3.618 -10.110 1.00 63.30 H new ATOM 0 HD22 LEU A 36 -20.529 -2.716 -10.128 1.00 63.30 H new ATOM 0 HD23 LEU A 36 -19.003 -1.870 -9.779 1.00 63.30 H new ATOM 587 N LYS A 37 -21.662 1.183 -7.832 1.00 25.25 N ATOM 588 CA LYS A 37 -22.752 2.086 -7.486 1.00 11.53 C ATOM 589 C LYS A 37 -24.044 1.303 -7.223 1.00 62.42 C ATOM 590 O LYS A 37 -24.107 0.072 -7.235 1.00 4.32 O ATOM 591 CB LYS A 37 -22.966 3.100 -8.636 1.00 71.43 C ATOM 592 CG LYS A 37 -21.831 4.100 -8.857 1.00 43.33 C ATOM 593 CD LYS A 37 -21.756 4.598 -10.304 1.00 11.42 C ATOM 594 CE LYS A 37 -21.262 6.037 -10.438 1.00 70.21 C ATOM 595 NZ LYS A 37 -20.873 6.299 -11.842 1.00 42.34 N ATOM 0 H LYS A 37 -21.472 1.175 -8.834 1.00 25.25 H new ATOM 0 HA LYS A 37 -22.490 2.622 -6.574 1.00 11.53 H new ATOM 0 HB2 LYS A 37 -23.122 2.545 -9.561 1.00 71.43 H new ATOM 0 HB3 LYS A 37 -23.883 3.656 -8.440 1.00 71.43 H new ATOM 0 HG2 LYS A 37 -21.968 4.952 -8.190 1.00 43.33 H new ATOM 0 HG3 LYS A 37 -20.883 3.633 -8.588 1.00 43.33 H new ATOM 0 HD2 LYS A 37 -21.094 3.943 -10.870 1.00 11.42 H new ATOM 0 HD3 LYS A 37 -22.745 4.520 -10.757 1.00 11.42 H new ATOM 0 HE2 LYS A 37 -22.045 6.731 -10.131 1.00 70.21 H new ATOM 0 HE3 LYS A 37 -20.411 6.203 -9.777 1.00 70.21 H new ATOM 0 HZ1 LYS A 37 -20.280 7.153 -11.885 1.00 42.34 H new ATOM 0 HZ2 LYS A 37 -20.338 5.487 -12.211 1.00 42.34 H new ATOM 0 HZ3 LYS A 37 -21.727 6.442 -12.418 1.00 42.34 H new ATOM 609 N ASP A 38 -25.092 2.082 -7.010 1.00 11.21 N ATOM 610 CA ASP A 38 -26.490 1.767 -6.776 1.00 42.34 C ATOM 611 C ASP A 38 -27.249 1.168 -7.970 1.00 23.30 C ATOM 612 O ASP A 38 -28.456 0.969 -7.833 1.00 22.20 O ATOM 613 CB ASP A 38 -27.171 3.063 -6.283 1.00 2.13 C ATOM 614 CG ASP A 38 -27.029 4.218 -7.284 1.00 23.23 C ATOM 615 OD1 ASP A 38 -25.931 4.840 -7.322 1.00 22.31 O ATOM 616 OD2 ASP A 38 -27.960 4.485 -8.065 1.00 23.10 O ATOM 0 H ASP A 38 -24.960 3.093 -6.996 1.00 11.21 H new ATOM 0 HA ASP A 38 -26.523 0.969 -6.034 1.00 42.34 H new ATOM 0 HB2 ASP A 38 -28.229 2.869 -6.105 1.00 2.13 H new ATOM 0 HB3 ASP A 38 -26.736 3.358 -5.328 1.00 2.13 H new ATOM 621 N ASP A 39 -26.615 0.784 -9.088 1.00 41.12 N ATOM 622 CA ASP A 39 -27.236 -0.142 -10.036 1.00 61.13 C ATOM 623 C ASP A 39 -26.255 -1.246 -10.383 1.00 44.53 C ATOM 624 O ASP A 39 -25.716 -1.293 -11.492 1.00 51.14 O ATOM 625 CB ASP A 39 -27.825 0.517 -11.281 1.00 31.13 C ATOM 626 CG ASP A 39 -28.456 -0.546 -12.190 1.00 5.31 C ATOM 627 OD1 ASP A 39 -29.077 -1.499 -11.641 1.00 44.53 O ATOM 628 OD2 ASP A 39 -28.303 -0.428 -13.426 1.00 23.32 O ATOM 0 H ASP A 39 -25.682 1.099 -9.353 1.00 41.12 H new ATOM 0 HA ASP A 39 -28.104 -0.569 -9.534 1.00 61.13 H new ATOM 0 HB2 ASP A 39 -28.576 1.252 -10.992 1.00 31.13 H new ATOM 0 HB3 ASP A 39 -27.045 1.053 -11.822 1.00 31.13 H new ATOM 633 N GLY A 40 -25.994 -2.094 -9.391 1.00 31.12 N ATOM 634 CA GLY A 40 -25.319 -3.367 -9.565 1.00 64.44 C ATOM 635 C GLY A 40 -23.954 -3.198 -10.214 1.00 13.34 C ATOM 636 O GLY A 40 -23.041 -2.692 -9.565 1.00 52.22 O ATOM 0 H GLY A 40 -26.254 -1.906 -8.423 1.00 31.12 H new ATOM 0 HA2 GLY A 40 -25.203 -3.853 -8.596 1.00 64.44 H new ATOM 0 HA3 GLY A 40 -25.935 -4.024 -10.179 1.00 64.44 H new ATOM 640 N GLU A 41 -23.830 -3.581 -11.484 1.00 21.11 N ATOM 641 CA GLU A 41 -22.580 -3.675 -12.241 1.00 33.45 C ATOM 642 C GLU A 41 -22.251 -2.339 -12.926 1.00 32.13 C ATOM 643 O GLU A 41 -21.861 -2.270 -14.099 1.00 52.33 O ATOM 644 CB GLU A 41 -22.655 -4.812 -13.270 1.00 25.21 C ATOM 645 CG GLU A 41 -22.753 -6.221 -12.659 1.00 22.31 C ATOM 646 CD GLU A 41 -22.549 -7.346 -13.689 1.00 30.34 C ATOM 647 OE1 GLU A 41 -21.909 -7.138 -14.748 1.00 70.10 O ATOM 648 OE2 GLU A 41 -23.046 -8.477 -13.478 1.00 13.34 O ATOM 0 H GLU A 41 -24.640 -3.848 -12.043 1.00 21.11 H new ATOM 0 HA GLU A 41 -21.775 -3.900 -11.541 1.00 33.45 H new ATOM 0 HB2 GLU A 41 -23.520 -4.647 -13.912 1.00 25.21 H new ATOM 0 HB3 GLU A 41 -21.772 -4.767 -13.907 1.00 25.21 H new ATOM 0 HG2 GLU A 41 -22.007 -6.320 -11.870 1.00 22.31 H new ATOM 0 HG3 GLU A 41 -23.730 -6.339 -12.191 1.00 22.31 H new ATOM 655 N THR A 42 -22.496 -1.245 -12.221 1.00 61.41 N ATOM 656 CA THR A 42 -22.201 0.109 -12.665 1.00 64.14 C ATOM 657 C THR A 42 -20.694 0.363 -12.580 1.00 73.00 C ATOM 658 O THR A 42 -20.010 -0.215 -11.733 1.00 61.31 O ATOM 659 CB THR A 42 -22.962 1.121 -11.790 1.00 21.35 C ATOM 660 OG1 THR A 42 -23.829 0.526 -10.836 1.00 1.41 O ATOM 661 CG2 THR A 42 -23.792 2.095 -12.619 1.00 10.22 C ATOM 0 H THR A 42 -22.920 -1.276 -11.294 1.00 61.41 H new ATOM 0 HA THR A 42 -22.521 0.228 -13.700 1.00 64.14 H new ATOM 0 HB THR A 42 -22.168 1.647 -11.261 1.00 21.35 H new ATOM 0 HG1 THR A 42 -24.484 -0.039 -11.297 1.00 1.41 H new ATOM 0 HG21 THR A 42 -24.309 2.788 -11.956 1.00 10.22 H new ATOM 0 HG22 THR A 42 -23.137 2.653 -13.288 1.00 10.22 H new ATOM 0 HG23 THR A 42 -24.524 1.541 -13.207 1.00 10.22 H new ATOM 669 N GLU A 43 -20.185 1.307 -13.370 1.00 23.13 N ATOM 670 CA GLU A 43 -18.788 1.714 -13.343 1.00 10.43 C ATOM 671 C GLU A 43 -18.650 3.012 -12.541 1.00 11.24 C ATOM 672 O GLU A 43 -19.408 3.972 -12.732 1.00 33.03 O ATOM 673 CB GLU A 43 -18.289 1.892 -14.780 1.00 14.32 C ATOM 674 CG GLU A 43 -18.204 0.547 -15.515 1.00 61.03 C ATOM 675 CD GLU A 43 -17.462 0.667 -16.847 1.00 14.41 C ATOM 676 OE1 GLU A 43 -17.877 1.474 -17.710 1.00 52.21 O ATOM 677 OE2 GLU A 43 -16.449 -0.038 -17.053 1.00 22.02 O ATOM 0 H GLU A 43 -20.743 1.816 -14.056 1.00 23.13 H new ATOM 0 HA GLU A 43 -18.180 0.950 -12.859 1.00 10.43 H new ATOM 0 HB2 GLU A 43 -18.960 2.561 -15.319 1.00 14.32 H new ATOM 0 HB3 GLU A 43 -17.307 2.365 -14.770 1.00 14.32 H new ATOM 0 HG2 GLU A 43 -17.696 -0.181 -14.882 1.00 61.03 H new ATOM 0 HG3 GLU A 43 -19.210 0.167 -15.693 1.00 61.03 H new ATOM 684 N GLN A 44 -17.684 3.058 -11.620 1.00 31.43 N ATOM 685 CA GLN A 44 -17.205 4.288 -11.014 1.00 10.14 C ATOM 686 C GLN A 44 -15.694 4.169 -10.829 1.00 3.43 C ATOM 687 O GLN A 44 -15.188 3.058 -10.694 1.00 32.15 O ATOM 688 CB GLN A 44 -17.883 4.493 -9.648 1.00 65.02 C ATOM 689 CG GLN A 44 -17.823 5.964 -9.275 1.00 13.44 C ATOM 690 CD GLN A 44 -18.301 6.374 -7.909 1.00 10.50 C ATOM 691 OE1 GLN A 44 -19.270 7.117 -7.790 1.00 24.20 O ATOM 692 NE2 GLN A 44 -17.523 6.027 -6.908 1.00 14.24 N ATOM 0 H GLN A 44 -17.210 2.224 -11.274 1.00 31.43 H new ATOM 0 HA GLN A 44 -17.441 5.140 -11.651 1.00 10.14 H new ATOM 0 HB2 GLN A 44 -18.920 4.158 -9.689 1.00 65.02 H new ATOM 0 HB3 GLN A 44 -17.384 3.892 -8.887 1.00 65.02 H new ATOM 0 HG2 GLN A 44 -16.788 6.291 -9.377 1.00 13.44 H new ATOM 0 HG3 GLN A 44 -18.406 6.518 -10.011 1.00 13.44 H new ATOM 0 HE21 GLN A 44 -16.731 5.405 -7.070 1.00 14.24 H new ATOM 0 HE22 GLN A 44 -17.711 6.380 -5.970 1.00 14.24 H new ATOM 701 N THR A 45 -14.992 5.299 -10.739 1.00 50.15 N ATOM 702 CA THR A 45 -13.630 5.403 -10.251 1.00 2.32 C ATOM 703 C THR A 45 -13.452 6.657 -9.414 1.00 41.15 C ATOM 704 O THR A 45 -14.151 7.644 -9.644 1.00 45.25 O ATOM 705 CB THR A 45 -12.645 5.403 -11.424 1.00 65.43 C ATOM 706 OG1 THR A 45 -13.070 6.308 -12.426 1.00 10.23 O ATOM 707 CG2 THR A 45 -12.511 4.016 -12.031 1.00 41.12 C ATOM 0 H THR A 45 -15.379 6.200 -11.018 1.00 50.15 H new ATOM 0 HA THR A 45 -13.425 4.538 -9.620 1.00 2.32 H new ATOM 0 HB THR A 45 -11.675 5.713 -11.037 1.00 65.43 H new ATOM 0 HG1 THR A 45 -12.430 6.298 -13.168 1.00 10.23 H new ATOM 0 HG21 THR A 45 -11.805 4.049 -12.861 1.00 41.12 H new ATOM 0 HG22 THR A 45 -12.149 3.321 -11.274 1.00 41.12 H new ATOM 0 HG23 THR A 45 -13.483 3.682 -12.394 1.00 41.12 H new ATOM 715 N PHE A 46 -12.496 6.611 -8.482 1.00 32.33 N ATOM 716 CA PHE A 46 -12.050 7.701 -7.624 1.00 41.31 C ATOM 717 C PHE A 46 -10.519 7.759 -7.698 1.00 5.41 C ATOM 718 O PHE A 46 -9.888 6.695 -7.725 1.00 2.20 O ATOM 719 CB PHE A 46 -12.500 7.416 -6.170 1.00 5.12 C ATOM 720 CG PHE A 46 -13.633 8.286 -5.666 1.00 54.15 C ATOM 721 CD1 PHE A 46 -14.697 8.632 -6.516 1.00 34.30 C ATOM 722 CD2 PHE A 46 -13.609 8.785 -4.351 1.00 1.21 C ATOM 723 CE1 PHE A 46 -15.634 9.597 -6.110 1.00 74.41 C ATOM 724 CE2 PHE A 46 -14.582 9.702 -3.922 1.00 44.22 C ATOM 725 CZ PHE A 46 -15.570 10.144 -4.816 1.00 22.43 C ATOM 0 H PHE A 46 -11.981 5.750 -8.298 1.00 32.33 H new ATOM 0 HA PHE A 46 -12.477 8.651 -7.945 1.00 41.31 H new ATOM 0 HB2 PHE A 46 -12.805 6.372 -6.098 1.00 5.12 H new ATOM 0 HB3 PHE A 46 -11.643 7.544 -5.509 1.00 5.12 H new ATOM 0 HD1 PHE A 46 -14.794 8.156 -7.481 1.00 34.30 H new ATOM 0 HD2 PHE A 46 -12.838 8.461 -3.668 1.00 1.21 H new ATOM 0 HE1 PHE A 46 -16.405 9.920 -6.793 1.00 74.41 H new ATOM 0 HE2 PHE A 46 -14.570 10.067 -2.906 1.00 44.22 H new ATOM 0 HZ PHE A 46 -16.278 10.901 -4.511 1.00 22.43 H new ATOM 735 N PRO A 47 -9.889 8.947 -7.661 1.00 65.22 N ATOM 736 CA PRO A 47 -8.441 9.064 -7.615 1.00 42.23 C ATOM 737 C PRO A 47 -7.939 8.611 -6.239 1.00 41.55 C ATOM 738 O PRO A 47 -8.343 9.126 -5.188 1.00 74.31 O ATOM 739 CB PRO A 47 -8.139 10.534 -7.925 1.00 71.34 C ATOM 740 CG PRO A 47 -9.385 11.268 -7.437 1.00 4.50 C ATOM 741 CD PRO A 47 -10.496 10.268 -7.751 1.00 1.24 C ATOM 0 HA PRO A 47 -7.928 8.429 -8.337 1.00 42.23 H new ATOM 0 HB2 PRO A 47 -7.243 10.877 -7.407 1.00 71.34 H new ATOM 0 HB3 PRO A 47 -7.972 10.693 -8.990 1.00 71.34 H new ATOM 0 HG2 PRO A 47 -9.332 11.496 -6.372 1.00 4.50 H new ATOM 0 HG3 PRO A 47 -9.530 12.214 -7.959 1.00 4.50 H new ATOM 0 HD2 PRO A 47 -11.320 10.367 -7.045 1.00 1.24 H new ATOM 0 HD3 PRO A 47 -10.906 10.441 -8.746 1.00 1.24 H new ATOM 749 N PHE A 48 -7.042 7.625 -6.225 1.00 73.20 N ATOM 750 CA PHE A 48 -6.478 7.126 -4.982 1.00 13.23 C ATOM 751 C PHE A 48 -5.412 8.119 -4.482 1.00 42.14 C ATOM 752 O PHE A 48 -4.221 7.893 -4.679 1.00 10.44 O ATOM 753 CB PHE A 48 -5.972 5.686 -5.168 1.00 65.43 C ATOM 754 CG PHE A 48 -5.825 4.867 -3.887 1.00 41.33 C ATOM 755 CD1 PHE A 48 -5.309 5.416 -2.691 1.00 14.54 C ATOM 756 CD2 PHE A 48 -6.255 3.525 -3.886 1.00 4.14 C ATOM 757 CE1 PHE A 48 -5.281 4.654 -1.509 1.00 52.50 C ATOM 758 CE2 PHE A 48 -6.231 2.766 -2.703 1.00 42.14 C ATOM 759 CZ PHE A 48 -5.754 3.333 -1.511 1.00 33.01 C ATOM 0 H PHE A 48 -6.694 7.159 -7.063 1.00 73.20 H new ATOM 0 HA PHE A 48 -7.236 7.064 -4.201 1.00 13.23 H new ATOM 0 HB2 PHE A 48 -6.657 5.163 -5.836 1.00 65.43 H new ATOM 0 HB3 PHE A 48 -5.004 5.722 -5.668 1.00 65.43 H new ATOM 0 HD1 PHE A 48 -4.933 6.429 -2.685 1.00 14.54 H new ATOM 0 HD2 PHE A 48 -6.606 3.075 -4.803 1.00 4.14 H new ATOM 0 HE1 PHE A 48 -4.895 5.087 -0.598 1.00 52.50 H new ATOM 0 HE2 PHE A 48 -6.580 1.744 -2.711 1.00 42.14 H new ATOM 0 HZ PHE A 48 -5.751 2.755 -0.599 1.00 33.01 H new ATOM 769 N THR A 49 -5.810 9.261 -3.916 1.00 22.41 N ATOM 770 CA THR A 49 -4.883 10.299 -3.462 1.00 65.12 C ATOM 771 C THR A 49 -4.266 9.942 -2.092 1.00 44.22 C ATOM 772 O THR A 49 -4.538 8.871 -1.546 1.00 50.43 O ATOM 773 CB THR A 49 -5.566 11.680 -3.517 1.00 65.31 C ATOM 774 OG1 THR A 49 -6.731 11.762 -2.720 1.00 11.12 O ATOM 775 CG2 THR A 49 -5.964 12.050 -4.948 1.00 42.52 C ATOM 0 H THR A 49 -6.791 9.492 -3.759 1.00 22.41 H new ATOM 0 HA THR A 49 -4.033 10.355 -4.142 1.00 65.12 H new ATOM 0 HB THR A 49 -4.821 12.373 -3.127 1.00 65.31 H new ATOM 0 HG1 THR A 49 -7.116 12.660 -2.795 1.00 11.12 H new ATOM 0 HG21 THR A 49 -6.443 13.029 -4.951 1.00 42.52 H new ATOM 0 HG22 THR A 49 -5.074 12.079 -5.577 1.00 42.52 H new ATOM 0 HG23 THR A 49 -6.659 11.305 -5.337 1.00 42.52 H new ATOM 783 N ARG A 50 -3.421 10.815 -1.519 1.00 34.30 N ATOM 784 CA ARG A 50 -2.852 10.606 -0.180 1.00 5.20 C ATOM 785 C ARG A 50 -3.937 10.616 0.892 1.00 65.11 C ATOM 786 O ARG A 50 -3.783 9.966 1.922 1.00 13.43 O ATOM 787 CB ARG A 50 -1.784 11.679 0.109 1.00 62.24 C ATOM 788 CG ARG A 50 -1.282 11.705 1.562 1.00 13.53 C ATOM 789 CD ARG A 50 -0.117 12.687 1.712 1.00 31.03 C ATOM 790 NE ARG A 50 0.252 12.905 3.123 1.00 64.34 N ATOM 791 CZ ARG A 50 1.401 13.446 3.549 1.00 3.41 C ATOM 792 NH1 ARG A 50 2.279 13.922 2.667 1.00 31.14 N ATOM 793 NH2 ARG A 50 1.693 13.498 4.842 1.00 45.15 N ATOM 0 H ARG A 50 -3.116 11.679 -1.968 1.00 34.30 H new ATOM 0 HA ARG A 50 -2.380 9.624 -0.156 1.00 5.20 H new ATOM 0 HB2 ARG A 50 -0.934 11.514 -0.553 1.00 62.24 H new ATOM 0 HB3 ARG A 50 -2.195 12.658 -0.138 1.00 62.24 H new ATOM 0 HG2 ARG A 50 -2.095 11.993 2.228 1.00 13.53 H new ATOM 0 HG3 ARG A 50 -0.964 10.706 1.860 1.00 13.53 H new ATOM 0 HD2 ARG A 50 0.747 12.308 1.167 1.00 31.03 H new ATOM 0 HD3 ARG A 50 -0.387 13.640 1.258 1.00 31.03 H new ATOM 0 HE ARG A 50 -0.423 12.621 3.833 1.00 64.34 H new ATOM 0 HH11 ARG A 50 2.076 13.874 1.669 1.00 31.14 H new ATOM 0 HH12 ARG A 50 3.154 14.334 2.990 1.00 31.14 H new ATOM 0 HH21 ARG A 50 1.038 13.123 5.528 1.00 45.15 H new ATOM 0 HH22 ARG A 50 2.572 13.913 5.150 1.00 45.15 H new ATOM 807 N GLU A 51 -5.027 11.339 0.658 1.00 42.15 N ATOM 808 CA GLU A 51 -6.114 11.654 1.590 1.00 52.42 C ATOM 809 C GLU A 51 -7.001 10.440 1.947 1.00 71.44 C ATOM 810 O GLU A 51 -8.212 10.577 2.093 1.00 53.42 O ATOM 811 CB GLU A 51 -6.908 12.821 0.959 1.00 62.23 C ATOM 812 CG GLU A 51 -7.599 13.760 1.973 1.00 61.04 C ATOM 813 CD GLU A 51 -7.303 15.254 1.740 1.00 54.21 C ATOM 814 OE1 GLU A 51 -6.247 15.598 1.150 1.00 54.51 O ATOM 815 OE2 GLU A 51 -8.088 16.120 2.174 1.00 52.24 O ATOM 0 H GLU A 51 -5.190 11.754 -0.259 1.00 42.15 H new ATOM 0 HA GLU A 51 -5.703 11.946 2.556 1.00 52.42 H new ATOM 0 HB2 GLU A 51 -6.230 13.411 0.343 1.00 62.23 H new ATOM 0 HB3 GLU A 51 -7.666 12.408 0.293 1.00 62.23 H new ATOM 0 HG2 GLU A 51 -8.676 13.601 1.925 1.00 61.04 H new ATOM 0 HG3 GLU A 51 -7.281 13.489 2.980 1.00 61.04 H new ATOM 822 N LYS A 52 -6.420 9.238 2.004 1.00 22.11 N ATOM 823 CA LYS A 52 -7.007 7.909 2.166 1.00 63.03 C ATOM 824 C LYS A 52 -5.899 6.839 2.295 1.00 23.32 C ATOM 825 O LYS A 52 -6.202 5.656 2.439 1.00 65.14 O ATOM 826 CB LYS A 52 -7.930 7.609 0.979 1.00 13.54 C ATOM 827 CG LYS A 52 -7.334 7.860 -0.405 1.00 10.44 C ATOM 828 CD LYS A 52 -8.202 7.175 -1.456 1.00 10.54 C ATOM 829 CE LYS A 52 -9.568 7.815 -1.735 1.00 72.31 C ATOM 830 NZ LYS A 52 -9.484 9.128 -2.404 1.00 43.15 N ATOM 0 H LYS A 52 -5.405 9.168 1.928 1.00 22.11 H new ATOM 0 HA LYS A 52 -7.597 7.885 3.082 1.00 63.03 H new ATOM 0 HB2 LYS A 52 -8.239 6.565 1.037 1.00 13.54 H new ATOM 0 HB3 LYS A 52 -8.831 8.214 1.081 1.00 13.54 H new ATOM 0 HG2 LYS A 52 -7.280 8.931 -0.602 1.00 10.44 H new ATOM 0 HG3 LYS A 52 -6.315 7.476 -0.451 1.00 10.44 H new ATOM 0 HD2 LYS A 52 -7.643 7.141 -2.391 1.00 10.54 H new ATOM 0 HD3 LYS A 52 -8.365 6.143 -1.145 1.00 10.54 H new ATOM 0 HE2 LYS A 52 -10.156 7.138 -2.355 1.00 72.31 H new ATOM 0 HE3 LYS A 52 -10.104 7.931 -0.793 1.00 72.31 H new ATOM 0 HZ1 LYS A 52 -10.436 9.538 -2.484 1.00 43.15 H new ATOM 0 HZ2 LYS A 52 -8.879 9.764 -1.846 1.00 43.15 H new ATOM 0 HZ3 LYS A 52 -9.077 9.008 -3.354 1.00 43.15 H new ATOM 844 N TRP A 53 -4.610 7.199 2.195 1.00 53.13 N ATOM 845 CA TRP A 53 -3.511 6.257 2.390 1.00 25.24 C ATOM 846 C TRP A 53 -3.367 5.953 3.890 1.00 71.30 C ATOM 847 O TRP A 53 -3.855 6.717 4.727 1.00 42.20 O ATOM 848 CB TRP A 53 -2.207 6.834 1.809 1.00 71.42 C ATOM 849 CG TRP A 53 -0.989 5.964 1.986 1.00 11.12 C ATOM 850 CD1 TRP A 53 -0.139 5.965 3.046 1.00 13.53 C ATOM 851 CD2 TRP A 53 -0.547 4.861 1.141 1.00 53.43 C ATOM 852 NE1 TRP A 53 0.740 4.903 2.943 1.00 1.24 N ATOM 853 CE2 TRP A 53 0.539 4.198 1.778 1.00 22.04 C ATOM 854 CE3 TRP A 53 -1.006 4.310 -0.073 1.00 14.41 C ATOM 855 CZ2 TRP A 53 1.147 3.064 1.220 1.00 63.33 C ATOM 856 CZ3 TRP A 53 -0.415 3.164 -0.630 1.00 23.31 C ATOM 857 CH2 TRP A 53 0.694 2.566 -0.016 1.00 5.52 C ATOM 0 H TRP A 53 -4.307 8.148 1.977 1.00 53.13 H new ATOM 0 HA TRP A 53 -3.724 5.327 1.864 1.00 25.24 H new ATOM 0 HB2 TRP A 53 -2.352 7.018 0.744 1.00 71.42 H new ATOM 0 HB3 TRP A 53 -2.015 7.800 2.276 1.00 71.42 H new ATOM 0 HD1 TRP A 53 -0.149 6.687 3.849 1.00 13.53 H new ATOM 0 HE1 TRP A 53 1.447 4.672 3.641 1.00 1.24 H new ATOM 0 HE3 TRP A 53 -1.831 4.780 -0.587 1.00 14.41 H new ATOM 0 HZ2 TRP A 53 1.960 2.575 1.737 1.00 63.33 H new ATOM 0 HZ3 TRP A 53 -0.818 2.741 -1.538 1.00 23.31 H new ATOM 0 HH2 TRP A 53 1.195 1.733 -0.486 1.00 5.52 H new ATOM 868 N ALA A 54 -2.675 4.864 4.222 1.00 50.23 N ATOM 869 CA ALA A 54 -2.479 4.339 5.561 1.00 14.54 C ATOM 870 C ALA A 54 -1.199 3.575 5.683 1.00 50.33 C ATOM 871 O ALA A 54 -0.656 3.056 4.708 1.00 25.35 O ATOM 872 CB ALA A 54 -3.563 3.280 5.744 1.00 23.11 C ATOM 0 H ALA A 54 -2.210 4.294 3.515 1.00 50.23 H new ATOM 0 HA ALA A 54 -2.489 5.167 6.269 1.00 14.54 H new ATOM 0 HB1 ALA A 54 -3.476 2.838 6.737 1.00 23.11 H new ATOM 0 HB2 ALA A 54 -4.545 3.742 5.637 1.00 23.11 H new ATOM 0 HB3 ALA A 54 -3.443 2.503 4.989 1.00 23.11 H new ATOM 878 N LEU A 55 -0.722 3.612 6.912 1.00 2.52 N ATOM 879 CA LEU A 55 0.661 3.371 7.202 1.00 61.12 C ATOM 880 C LEU A 55 0.863 1.965 7.676 1.00 12.51 C ATOM 881 O LEU A 55 -0.014 1.405 8.329 1.00 65.33 O ATOM 882 CB LEU A 55 1.139 4.365 8.237 1.00 45.23 C ATOM 883 CG LEU A 55 0.782 5.810 7.893 1.00 31.01 C ATOM 884 CD1 LEU A 55 0.749 6.209 6.426 1.00 22.14 C ATOM 885 CD2 LEU A 55 -0.389 6.352 8.691 1.00 30.21 C ATOM 0 H LEU A 55 -1.292 3.812 7.734 1.00 2.52 H new ATOM 0 HA LEU A 55 1.247 3.501 6.292 1.00 61.12 H new ATOM 0 HB2 LEU A 55 0.705 4.110 9.204 1.00 45.23 H new ATOM 0 HB3 LEU A 55 2.221 4.280 8.341 1.00 45.23 H new ATOM 0 HG LEU A 55 1.676 6.331 8.234 1.00 31.01 H new ATOM 0 HD11 LEU A 55 0.481 7.262 6.341 1.00 22.14 H new ATOM 0 HD12 LEU A 55 1.732 6.048 5.983 1.00 22.14 H new ATOM 0 HD13 LEU A 55 0.011 5.603 5.901 1.00 22.14 H new ATOM 0 HD21 LEU A 55 -0.586 7.382 8.394 1.00 30.21 H new ATOM 0 HD22 LEU A 55 -1.273 5.744 8.499 1.00 30.21 H new ATOM 0 HD23 LEU A 55 -0.151 6.320 9.754 1.00 30.21 H new ATOM 897 N LEU A 56 2.019 1.429 7.308 1.00 51.20 N ATOM 898 CA LEU A 56 2.260 0.003 7.399 1.00 73.20 C ATOM 899 C LEU A 56 3.470 -0.274 8.291 1.00 54.42 C ATOM 900 O LEU A 56 4.191 0.640 8.705 1.00 12.54 O ATOM 901 CB LEU A 56 2.422 -0.543 5.969 1.00 33.13 C ATOM 902 CG LEU A 56 1.328 -0.116 4.960 1.00 52.42 C ATOM 903 CD1 LEU A 56 1.685 -0.601 3.564 1.00 70.20 C ATOM 904 CD2 LEU A 56 -0.069 -0.634 5.329 1.00 45.42 C ATOM 0 H LEU A 56 2.805 1.967 6.943 1.00 51.20 H new ATOM 0 HA LEU A 56 1.421 -0.512 7.868 1.00 73.20 H new ATOM 0 HB2 LEU A 56 3.390 -0.222 5.585 1.00 33.13 H new ATOM 0 HB3 LEU A 56 2.443 -1.632 6.016 1.00 33.13 H new ATOM 0 HG LEU A 56 1.291 0.973 4.991 1.00 52.42 H new ATOM 0 HD11 LEU A 56 0.909 -0.295 2.863 1.00 70.20 H new ATOM 0 HD12 LEU A 56 2.638 -0.168 3.261 1.00 70.20 H new ATOM 0 HD13 LEU A 56 1.764 -1.688 3.566 1.00 70.20 H new ATOM 0 HD21 LEU A 56 -0.790 -0.300 4.583 1.00 45.42 H new ATOM 0 HD22 LEU A 56 -0.057 -1.723 5.360 1.00 45.42 H new ATOM 0 HD23 LEU A 56 -0.354 -0.247 6.307 1.00 45.42 H new ATOM 916 N ASP A 57 3.795 -1.544 8.512 1.00 53.41 N ATOM 917 CA ASP A 57 4.855 -1.987 9.416 1.00 70.20 C ATOM 918 C ASP A 57 6.034 -2.483 8.596 1.00 45.21 C ATOM 919 O ASP A 57 5.974 -2.524 7.363 1.00 70.30 O ATOM 920 CB ASP A 57 4.369 -3.148 10.290 1.00 70.12 C ATOM 921 CG ASP A 57 3.291 -2.788 11.302 1.00 32.12 C ATOM 922 OD1 ASP A 57 2.113 -2.683 10.903 1.00 31.43 O ATOM 923 OD2 ASP A 57 3.600 -2.703 12.510 1.00 14.13 O ATOM 0 H ASP A 57 3.314 -2.318 8.054 1.00 53.41 H new ATOM 0 HA ASP A 57 5.141 -1.147 10.048 1.00 70.20 H new ATOM 0 HB2 ASP A 57 3.987 -3.936 9.641 1.00 70.12 H new ATOM 0 HB3 ASP A 57 5.224 -3.562 10.825 1.00 70.12 H new ATOM 928 N GLU A 58 7.101 -2.900 9.278 1.00 33.33 N ATOM 929 CA GLU A 58 8.131 -3.724 8.678 1.00 5.22 C ATOM 930 C GLU A 58 7.575 -5.051 8.171 1.00 71.02 C ATOM 931 O GLU A 58 7.889 -5.417 7.040 1.00 30.45 O ATOM 932 CB GLU A 58 9.386 -3.835 9.535 1.00 4.23 C ATOM 933 CG GLU A 58 9.218 -4.382 10.944 1.00 52.22 C ATOM 934 CD GLU A 58 10.557 -4.499 11.701 1.00 74.01 C ATOM 935 OE1 GLU A 58 11.614 -4.020 11.217 1.00 4.42 O ATOM 936 OE2 GLU A 58 10.605 -5.148 12.772 1.00 62.31 O ATOM 0 H GLU A 58 7.268 -2.673 10.258 1.00 33.33 H new ATOM 0 HA GLU A 58 8.480 -3.205 7.785 1.00 5.22 H new ATOM 0 HB2 GLU A 58 10.099 -4.469 9.009 1.00 4.23 H new ATOM 0 HB3 GLU A 58 9.834 -2.844 9.608 1.00 4.23 H new ATOM 0 HG2 GLU A 58 8.545 -3.733 11.503 1.00 52.22 H new ATOM 0 HG3 GLU A 58 8.746 -5.363 10.894 1.00 52.22 H new ATOM 943 N GLU A 59 6.720 -5.733 8.939 1.00 12.45 N ATOM 944 CA GLU A 59 6.154 -7.031 8.551 1.00 71.14 C ATOM 945 C GLU A 59 5.367 -7.005 7.240 1.00 51.52 C ATOM 946 O GLU A 59 5.380 -7.990 6.504 1.00 74.44 O ATOM 947 CB GLU A 59 5.354 -7.682 9.689 1.00 5.42 C ATOM 948 CG GLU A 59 3.991 -7.061 10.035 1.00 63.12 C ATOM 949 CD GLU A 59 3.336 -7.772 11.229 1.00 50.53 C ATOM 950 OE1 GLU A 59 3.246 -9.019 11.198 1.00 72.13 O ATOM 951 OE2 GLU A 59 2.933 -7.085 12.200 1.00 43.42 O ATOM 0 H GLU A 59 6.400 -5.401 9.849 1.00 12.45 H new ATOM 0 HA GLU A 59 7.018 -7.665 8.354 1.00 71.14 H new ATOM 0 HB2 GLU A 59 5.193 -8.729 9.432 1.00 5.42 H new ATOM 0 HB3 GLU A 59 5.971 -7.665 10.588 1.00 5.42 H new ATOM 0 HG2 GLU A 59 4.120 -6.003 10.266 1.00 63.12 H new ATOM 0 HG3 GLU A 59 3.332 -7.120 9.169 1.00 63.12 H new ATOM 958 N THR A 60 4.740 -5.879 6.913 1.00 41.11 N ATOM 959 CA THR A 60 3.937 -5.740 5.708 1.00 34.15 C ATOM 960 C THR A 60 4.795 -5.471 4.463 1.00 73.11 C ATOM 961 O THR A 60 4.344 -5.715 3.344 1.00 5.33 O ATOM 962 CB THR A 60 2.914 -4.627 5.976 1.00 21.04 C ATOM 963 OG1 THR A 60 1.991 -5.084 6.943 1.00 13.33 O ATOM 964 CG2 THR A 60 2.153 -4.229 4.724 1.00 23.11 C ATOM 0 H THR A 60 4.777 -5.033 7.482 1.00 41.11 H new ATOM 0 HA THR A 60 3.421 -6.674 5.485 1.00 34.15 H new ATOM 0 HB THR A 60 3.458 -3.750 6.327 1.00 21.04 H new ATOM 0 HG1 THR A 60 1.333 -4.381 7.125 1.00 13.33 H new ATOM 0 HG21 THR A 60 1.442 -3.439 4.966 1.00 23.11 H new ATOM 0 HG22 THR A 60 2.854 -3.868 3.971 1.00 23.11 H new ATOM 0 HG23 THR A 60 1.616 -5.094 4.334 1.00 23.11 H new ATOM 972 N LEU A 61 6.022 -4.974 4.624 1.00 12.35 N ATOM 973 CA LEU A 61 6.907 -4.692 3.487 1.00 51.31 C ATOM 974 C LEU A 61 8.131 -5.590 3.583 1.00 5.21 C ATOM 975 O LEU A 61 9.261 -5.100 3.564 1.00 44.44 O ATOM 976 CB LEU A 61 7.321 -3.209 3.374 1.00 42.32 C ATOM 977 CG LEU A 61 6.319 -2.132 2.947 1.00 71.24 C ATOM 978 CD1 LEU A 61 5.608 -2.490 1.644 1.00 70.23 C ATOM 979 CD2 LEU A 61 5.339 -1.778 4.054 1.00 64.41 C ATOM 0 H LEU A 61 6.429 -4.757 5.534 1.00 12.35 H new ATOM 0 HA LEU A 61 6.347 -4.904 2.576 1.00 51.31 H new ATOM 0 HB2 LEU A 61 7.710 -2.913 4.348 1.00 42.32 H new ATOM 0 HB3 LEU A 61 8.154 -3.164 2.672 1.00 42.32 H new ATOM 0 HG LEU A 61 6.902 -1.232 2.751 1.00 71.24 H new ATOM 0 HD11 LEU A 61 4.908 -1.697 1.382 1.00 70.23 H new ATOM 0 HD12 LEU A 61 6.343 -2.603 0.847 1.00 70.23 H new ATOM 0 HD13 LEU A 61 5.065 -3.426 1.771 1.00 70.23 H new ATOM 0 HD21 LEU A 61 4.651 -1.010 3.699 1.00 64.41 H new ATOM 0 HD22 LEU A 61 4.776 -2.666 4.339 1.00 64.41 H new ATOM 0 HD23 LEU A 61 5.887 -1.403 4.919 1.00 64.41 H new ATOM 991 N LYS A 62 7.940 -6.893 3.747 1.00 11.14 N ATOM 992 CA LYS A 62 8.985 -7.836 4.097 1.00 73.10 C ATOM 993 C LYS A 62 8.771 -9.160 3.379 1.00 51.23 C ATOM 994 O LYS A 62 7.645 -9.546 3.094 1.00 45.20 O ATOM 995 CB LYS A 62 8.918 -7.899 5.619 1.00 34.13 C ATOM 996 CG LYS A 62 9.391 -9.169 6.268 1.00 30.01 C ATOM 997 CD LYS A 62 9.628 -8.994 7.772 1.00 65.14 C ATOM 998 CE LYS A 62 9.437 -10.333 8.486 1.00 44.12 C ATOM 999 NZ LYS A 62 10.704 -11.071 8.594 1.00 24.22 N ATOM 0 H LYS A 62 7.026 -7.332 3.636 1.00 11.14 H new ATOM 0 HA LYS A 62 9.987 -7.546 3.781 1.00 73.10 H new ATOM 0 HB2 LYS A 62 9.507 -7.074 6.019 1.00 34.13 H new ATOM 0 HB3 LYS A 62 7.885 -7.728 5.920 1.00 34.13 H new ATOM 0 HG2 LYS A 62 8.653 -9.955 6.107 1.00 30.01 H new ATOM 0 HG3 LYS A 62 10.315 -9.497 5.792 1.00 30.01 H new ATOM 0 HD2 LYS A 62 10.635 -8.617 7.949 1.00 65.14 H new ATOM 0 HD3 LYS A 62 8.936 -8.255 8.175 1.00 65.14 H new ATOM 0 HE2 LYS A 62 9.029 -10.161 9.482 1.00 44.12 H new ATOM 0 HE3 LYS A 62 8.709 -10.936 7.943 1.00 44.12 H new ATOM 0 HZ1 LYS A 62 10.539 -11.974 9.083 1.00 24.22 H new ATOM 0 HZ2 LYS A 62 11.080 -11.256 7.642 1.00 24.22 H new ATOM 0 HZ3 LYS A 62 11.390 -10.506 9.133 1.00 24.22 H new ATOM 1013 N GLU A 63 9.872 -9.837 3.064 1.00 30.05 N ATOM 1014 CA GLU A 63 9.868 -11.013 2.194 1.00 30.13 C ATOM 1015 C GLU A 63 9.745 -12.250 3.079 1.00 63.01 C ATOM 1016 O GLU A 63 10.733 -12.713 3.660 1.00 22.02 O ATOM 1017 CB GLU A 63 11.112 -11.139 1.282 1.00 22.45 C ATOM 1018 CG GLU A 63 11.623 -9.865 0.608 1.00 51.10 C ATOM 1019 CD GLU A 63 13.154 -9.877 0.446 1.00 13.51 C ATOM 1020 OE1 GLU A 63 13.885 -9.933 1.468 1.00 3.23 O ATOM 1021 OE2 GLU A 63 13.678 -9.713 -0.674 1.00 70.24 O ATOM 0 H GLU A 63 10.799 -9.585 3.407 1.00 30.05 H new ATOM 0 HA GLU A 63 9.023 -10.910 1.513 1.00 30.13 H new ATOM 0 HB2 GLU A 63 11.925 -11.554 1.877 1.00 22.45 H new ATOM 0 HB3 GLU A 63 10.885 -11.865 0.501 1.00 22.45 H new ATOM 0 HG2 GLU A 63 11.155 -9.759 -0.371 1.00 51.10 H new ATOM 0 HG3 GLU A 63 11.327 -8.998 1.198 1.00 51.10 H new ATOM 1028 N GLY A 64 8.544 -12.799 3.180 1.00 54.11 N ATOM 1029 CA GLY A 64 8.295 -14.020 3.918 1.00 51.10 C ATOM 1030 C GLY A 64 6.801 -14.250 4.070 1.00 25.35 C ATOM 1031 O GLY A 64 5.984 -13.402 3.709 1.00 32.44 O ATOM 0 H GLY A 64 7.710 -12.403 2.747 1.00 54.11 H new ATOM 0 HA2 GLY A 64 8.749 -14.865 3.400 1.00 51.10 H new ATOM 0 HA3 GLY A 64 8.762 -13.960 4.901 1.00 51.10 H new ATOM 1035 N ARG A 65 6.438 -15.387 4.661 1.00 41.51 N ATOM 1036 CA ARG A 65 5.082 -15.622 5.143 1.00 3.15 C ATOM 1037 C ARG A 65 4.896 -15.048 6.551 1.00 64.24 C ATOM 1038 O ARG A 65 5.894 -14.836 7.249 1.00 33.35 O ATOM 1039 CB ARG A 65 4.743 -17.117 5.030 1.00 62.40 C ATOM 1040 CG ARG A 65 5.573 -17.985 5.981 1.00 50.40 C ATOM 1041 CD ARG A 65 5.281 -19.477 5.810 1.00 34.35 C ATOM 1042 NE ARG A 65 5.670 -20.181 7.039 1.00 32.22 N ATOM 1043 CZ ARG A 65 5.418 -21.446 7.373 1.00 45.13 C ATOM 1044 NH1 ARG A 65 4.898 -22.305 6.509 1.00 30.05 N ATOM 1045 NH2 ARG A 65 5.713 -21.848 8.602 1.00 24.32 N ATOM 0 H ARG A 65 7.075 -16.168 4.818 1.00 41.51 H new ATOM 0 HA ARG A 65 4.366 -15.090 4.516 1.00 3.15 H new ATOM 0 HB2 ARG A 65 3.684 -17.262 5.243 1.00 62.40 H new ATOM 0 HB3 ARG A 65 4.910 -17.447 4.005 1.00 62.40 H new ATOM 0 HG2 ARG A 65 6.633 -17.802 5.804 1.00 50.40 H new ATOM 0 HG3 ARG A 65 5.366 -17.692 7.010 1.00 50.40 H new ATOM 0 HD2 ARG A 65 4.222 -19.633 5.605 1.00 34.35 H new ATOM 0 HD3 ARG A 65 5.832 -19.874 4.958 1.00 34.35 H new ATOM 0 HE ARG A 65 6.198 -19.635 7.720 1.00 32.22 H new ATOM 0 HH11 ARG A 65 4.680 -22.004 5.559 1.00 30.05 H new ATOM 0 HH12 ARG A 65 4.716 -23.267 6.794 1.00 30.05 H new ATOM 0 HH21 ARG A 65 6.124 -21.193 9.268 1.00 24.32 H new ATOM 0 HH22 ARG A 65 5.529 -22.812 8.881 1.00 24.32 H new ATOM 1059 N THR A 66 3.651 -14.884 6.990 1.00 4.25 N ATOM 1060 CA THR A 66 3.280 -14.476 8.342 1.00 42.54 C ATOM 1061 C THR A 66 2.516 -15.624 9.020 1.00 14.14 C ATOM 1062 O THR A 66 2.450 -16.739 8.488 1.00 64.01 O ATOM 1063 CB THR A 66 2.516 -13.132 8.300 1.00 1.12 C ATOM 1064 OG1 THR A 66 2.706 -12.511 9.554 1.00 50.54 O ATOM 1065 CG2 THR A 66 1.014 -13.270 8.037 1.00 42.30 C ATOM 0 H THR A 66 2.841 -15.038 6.390 1.00 4.25 H new ATOM 0 HA THR A 66 4.162 -14.288 8.954 1.00 42.54 H new ATOM 0 HB THR A 66 2.911 -12.550 7.467 1.00 1.12 H new ATOM 0 HG1 THR A 66 2.236 -11.651 9.568 1.00 50.54 H new ATOM 0 HG21 THR A 66 0.555 -12.282 8.023 1.00 42.30 H new ATOM 0 HG22 THR A 66 0.856 -13.757 7.074 1.00 42.30 H new ATOM 0 HG23 THR A 66 0.560 -13.870 8.826 1.00 42.30 H new ATOM 1146 N THR A 73 -1.956 -18.414 6.079 1.00 32.15 N ATOM 1147 CA THR A 73 -0.570 -18.159 5.739 1.00 72.02 C ATOM 1148 C THR A 73 -0.581 -17.048 4.701 1.00 2.45 C ATOM 1149 O THR A 73 -0.738 -17.315 3.513 1.00 74.11 O ATOM 1150 CB THR A 73 0.092 -19.464 5.264 1.00 11.33 C ATOM 1151 OG1 THR A 73 -0.122 -20.512 6.199 1.00 42.22 O ATOM 1152 CG2 THR A 73 1.593 -19.263 5.107 1.00 45.54 C ATOM 0 HA THR A 73 0.028 -17.830 6.589 1.00 72.02 H new ATOM 0 HB THR A 73 -0.356 -19.733 4.308 1.00 11.33 H new ATOM 0 HG1 THR A 73 -0.942 -20.335 6.706 1.00 42.22 H new ATOM 0 HG21 THR A 73 2.051 -20.193 4.770 1.00 45.54 H new ATOM 0 HG22 THR A 73 1.780 -18.480 4.373 1.00 45.54 H new ATOM 0 HG23 THR A 73 2.023 -18.972 6.065 1.00 45.54 H new ATOM 1160 N TYR A 74 -0.514 -15.795 5.156 1.00 42.50 N ATOM 1161 CA TYR A 74 -0.260 -14.666 4.266 1.00 3.11 C ATOM 1162 C TYR A 74 1.192 -14.816 3.832 1.00 5.54 C ATOM 1163 O TYR A 74 2.038 -15.125 4.677 1.00 51.43 O ATOM 1164 CB TYR A 74 -0.465 -13.316 4.993 1.00 23.32 C ATOM 1165 CG TYR A 74 -1.096 -12.154 4.233 1.00 74.11 C ATOM 1166 CD1 TYR A 74 -2.049 -12.332 3.210 1.00 14.51 C ATOM 1167 CD2 TYR A 74 -0.723 -10.845 4.587 1.00 73.11 C ATOM 1168 CE1 TYR A 74 -2.606 -11.222 2.544 1.00 42.14 C ATOM 1169 CE2 TYR A 74 -1.217 -9.737 3.883 1.00 33.43 C ATOM 1170 CZ TYR A 74 -2.189 -9.915 2.881 1.00 53.10 C ATOM 1171 OH TYR A 74 -2.721 -8.819 2.273 1.00 65.40 O ATOM 0 H TYR A 74 -0.632 -15.539 6.136 1.00 42.50 H new ATOM 0 HA TYR A 74 -0.948 -14.667 3.421 1.00 3.11 H new ATOM 0 HB2 TYR A 74 -1.080 -13.506 5.873 1.00 23.32 H new ATOM 0 HB3 TYR A 74 0.509 -12.984 5.351 1.00 23.32 H new ATOM 0 HD1 TYR A 74 -2.356 -13.330 2.933 1.00 14.51 H new ATOM 0 HD2 TYR A 74 -0.046 -10.691 5.414 1.00 73.11 H new ATOM 0 HE1 TYR A 74 -3.351 -11.370 1.776 1.00 42.14 H new ATOM 0 HE2 TYR A 74 -0.851 -8.747 4.110 1.00 33.43 H new ATOM 0 HH TYR A 74 -2.308 -8.009 2.639 1.00 65.40 H new ATOM 1181 N ILE A 75 1.492 -14.621 2.556 1.00 41.22 N ATOM 1182 CA ILE A 75 2.823 -14.402 2.031 1.00 10.42 C ATOM 1183 C ILE A 75 2.908 -12.928 1.639 1.00 4.55 C ATOM 1184 O ILE A 75 1.891 -12.293 1.356 1.00 11.25 O ATOM 1185 CB ILE A 75 3.062 -15.405 0.883 1.00 54.31 C ATOM 1186 CG1 ILE A 75 2.898 -16.843 1.437 1.00 44.20 C ATOM 1187 CG2 ILE A 75 4.461 -15.248 0.261 1.00 25.31 C ATOM 1188 CD1 ILE A 75 1.616 -17.551 1.004 1.00 45.33 C ATOM 0 H ILE A 75 0.777 -14.612 1.828 1.00 41.22 H new ATOM 0 HA ILE A 75 3.622 -14.586 2.750 1.00 10.42 H new ATOM 0 HB ILE A 75 2.332 -15.207 0.098 1.00 54.31 H new ATOM 0 HG12 ILE A 75 3.752 -17.440 1.118 1.00 44.20 H new ATOM 0 HG13 ILE A 75 2.925 -16.804 2.526 1.00 44.20 H new ATOM 0 HG21 ILE A 75 4.585 -15.974 -0.543 1.00 25.31 H new ATOM 0 HG22 ILE A 75 4.570 -14.240 -0.140 1.00 25.31 H new ATOM 0 HG23 ILE A 75 5.220 -15.419 1.025 1.00 25.31 H new ATOM 0 HD11 ILE A 75 1.587 -18.550 1.439 1.00 45.33 H new ATOM 0 HD12 ILE A 75 0.752 -16.981 1.347 1.00 45.33 H new ATOM 0 HD13 ILE A 75 1.592 -17.628 -0.083 1.00 45.33 H new ATOM 1200 N SER A 76 4.114 -12.370 1.663 1.00 50.21 N ATOM 1201 CA SER A 76 4.473 -11.112 1.038 1.00 33.35 C ATOM 1202 C SER A 76 5.853 -11.336 0.439 1.00 31.35 C ATOM 1203 O SER A 76 6.729 -11.912 1.096 1.00 21.14 O ATOM 1204 CB SER A 76 4.505 -9.965 2.060 1.00 41.53 C ATOM 1205 OG SER A 76 3.525 -9.009 1.742 1.00 54.11 O ATOM 0 H SER A 76 4.901 -12.807 2.143 1.00 50.21 H new ATOM 0 HA SER A 76 3.742 -10.823 0.283 1.00 33.35 H new ATOM 0 HB2 SER A 76 4.332 -10.356 3.063 1.00 41.53 H new ATOM 0 HB3 SER A 76 5.491 -9.499 2.065 1.00 41.53 H new ATOM 0 HG SER A 76 2.895 -8.926 2.488 1.00 54.11 H new ATOM 1211 N HIS A 77 6.067 -10.911 -0.800 1.00 53.42 N ATOM 1212 CA HIS A 77 7.394 -10.787 -1.377 1.00 42.40 C ATOM 1213 C HIS A 77 7.347 -9.796 -2.535 1.00 23.41 C ATOM 1214 O HIS A 77 6.278 -9.386 -2.986 1.00 10.23 O ATOM 1215 CB HIS A 77 7.979 -12.162 -1.775 1.00 21.34 C ATOM 1216 CG HIS A 77 7.319 -12.951 -2.887 1.00 32.15 C ATOM 1217 ND1 HIS A 77 7.824 -14.137 -3.390 1.00 42.24 N ATOM 1218 CD2 HIS A 77 6.173 -12.657 -3.589 1.00 10.35 C ATOM 1219 CE1 HIS A 77 7.040 -14.513 -4.413 1.00 25.11 C ATOM 1220 NE2 HIS A 77 6.029 -13.646 -4.569 1.00 10.53 N ATOM 0 H HIS A 77 5.316 -10.641 -1.436 1.00 53.42 H new ATOM 0 HA HIS A 77 8.080 -10.394 -0.627 1.00 42.40 H new ATOM 0 HB2 HIS A 77 9.021 -12.007 -2.056 1.00 21.34 H new ATOM 0 HB3 HIS A 77 7.980 -12.789 -0.883 1.00 21.34 H new ATOM 0 HD2 HIS A 77 5.510 -11.822 -3.417 1.00 10.35 H new ATOM 0 HE1 HIS A 77 7.201 -15.389 -5.024 1.00 25.11 H new ATOM 0 HE2 HIS A 77 5.292 -13.698 -5.272 1.00 10.53 H new ATOM 1228 N PHE A 78 8.514 -9.424 -3.051 1.00 25.43 N ATOM 1229 CA PHE A 78 8.582 -8.728 -4.325 1.00 51.51 C ATOM 1230 C PHE A 78 8.473 -9.780 -5.433 1.00 33.23 C ATOM 1231 O PHE A 78 8.890 -10.920 -5.220 1.00 24.12 O ATOM 1232 CB PHE A 78 9.881 -7.915 -4.405 1.00 71.01 C ATOM 1233 CG PHE A 78 11.103 -8.796 -4.530 1.00 71.04 C ATOM 1234 CD1 PHE A 78 11.618 -9.477 -3.416 1.00 45.30 C ATOM 1235 CD2 PHE A 78 11.609 -9.067 -5.806 1.00 62.32 C ATOM 1236 CE1 PHE A 78 12.599 -10.467 -3.590 1.00 72.13 C ATOM 1237 CE2 PHE A 78 12.610 -10.036 -5.980 1.00 62.34 C ATOM 1238 CZ PHE A 78 13.097 -10.748 -4.872 1.00 73.00 C ATOM 0 H PHE A 78 9.417 -9.592 -2.608 1.00 25.43 H new ATOM 0 HA PHE A 78 7.765 -8.015 -4.438 1.00 51.51 H new ATOM 0 HB2 PHE A 78 9.833 -7.241 -5.260 1.00 71.01 H new ATOM 0 HB3 PHE A 78 9.973 -7.294 -3.514 1.00 71.01 H new ATOM 0 HD1 PHE A 78 11.260 -9.240 -2.425 1.00 45.30 H new ATOM 0 HD2 PHE A 78 11.228 -8.528 -6.661 1.00 62.32 H new ATOM 0 HE1 PHE A 78 12.971 -11.013 -2.736 1.00 72.13 H new ATOM 0 HE2 PHE A 78 13.005 -10.234 -6.965 1.00 62.34 H new ATOM 0 HZ PHE A 78 13.852 -11.509 -5.006 1.00 73.00 H new ATOM 1248 N THR A 79 7.973 -9.417 -6.607 1.00 61.04 N ATOM 1249 CA THR A 79 7.634 -10.358 -7.682 1.00 13.33 C ATOM 1250 C THR A 79 8.513 -10.175 -8.930 1.00 44.52 C ATOM 1251 O THR A 79 8.309 -10.852 -9.937 1.00 65.02 O ATOM 1252 CB THR A 79 6.119 -10.237 -7.966 1.00 2.25 C ATOM 1253 OG1 THR A 79 5.684 -8.896 -7.814 1.00 62.24 O ATOM 1254 CG2 THR A 79 5.335 -11.103 -6.973 1.00 31.13 C ATOM 0 H THR A 79 7.786 -8.444 -6.849 1.00 61.04 H new ATOM 0 HA THR A 79 7.850 -11.377 -7.362 1.00 13.33 H new ATOM 0 HB THR A 79 5.943 -10.567 -8.990 1.00 2.25 H new ATOM 0 HG1 THR A 79 4.834 -8.773 -8.285 1.00 62.24 H new ATOM 0 HG21 THR A 79 4.268 -11.015 -7.177 1.00 31.13 H new ATOM 0 HG22 THR A 79 5.640 -12.144 -7.079 1.00 31.13 H new ATOM 0 HG23 THR A 79 5.539 -10.767 -5.957 1.00 31.13 H new ATOM 1262 N VAL A 80 9.510 -9.288 -8.870 1.00 70.02 N ATOM 1263 CA VAL A 80 10.274 -8.781 -10.016 1.00 1.13 C ATOM 1264 C VAL A 80 11.637 -8.256 -9.535 1.00 43.51 C ATOM 1265 O VAL A 80 11.699 -7.468 -8.592 1.00 34.34 O ATOM 1266 CB VAL A 80 9.414 -7.719 -10.755 1.00 11.31 C ATOM 1267 CG1 VAL A 80 8.729 -6.763 -9.783 1.00 61.00 C ATOM 1268 CG2 VAL A 80 10.259 -6.874 -11.718 1.00 22.34 C ATOM 0 H VAL A 80 9.821 -8.886 -7.985 1.00 70.02 H new ATOM 0 HA VAL A 80 10.492 -9.571 -10.734 1.00 1.13 H new ATOM 0 HB VAL A 80 8.665 -8.283 -11.310 1.00 11.31 H new ATOM 0 HG11 VAL A 80 8.138 -6.037 -10.342 1.00 61.00 H new ATOM 0 HG12 VAL A 80 8.076 -7.327 -9.117 1.00 61.00 H new ATOM 0 HG13 VAL A 80 9.483 -6.241 -9.194 1.00 61.00 H new ATOM 0 HG21 VAL A 80 9.622 -6.143 -12.216 1.00 22.34 H new ATOM 0 HG22 VAL A 80 11.038 -6.356 -11.159 1.00 22.34 H new ATOM 0 HG23 VAL A 80 10.718 -7.523 -12.464 1.00 22.34 H new ATOM 1278 N ASN A 81 12.745 -8.687 -10.148 1.00 43.11 N ATOM 1279 CA ASN A 81 14.102 -8.275 -9.774 1.00 2.42 C ATOM 1280 C ASN A 81 14.707 -7.443 -10.904 1.00 42.33 C ATOM 1281 O ASN A 81 15.468 -7.951 -11.725 1.00 50.54 O ATOM 1282 CB ASN A 81 14.970 -9.497 -9.411 1.00 74.43 C ATOM 1283 CG ASN A 81 16.412 -9.109 -9.107 1.00 74.00 C ATOM 1284 OD1 ASN A 81 17.344 -9.501 -9.808 1.00 22.32 O ATOM 1285 ND2 ASN A 81 16.632 -8.322 -8.070 1.00 34.01 N ATOM 0 H ASN A 81 12.724 -9.342 -10.930 1.00 43.11 H new ATOM 0 HA ASN A 81 14.063 -7.652 -8.880 1.00 2.42 H new ATOM 0 HB2 ASN A 81 14.541 -10.001 -8.545 1.00 74.43 H new ATOM 0 HB3 ASN A 81 14.953 -10.210 -10.235 1.00 74.43 H new ATOM 0 HD21 ASN A 81 17.583 -8.032 -7.842 1.00 34.01 H new ATOM 0 HD22 ASN A 81 15.851 -8.004 -7.497 1.00 34.01 H new ATOM 1292 N GLU A 82 14.356 -6.162 -10.982 1.00 34.01 N ATOM 1293 CA GLU A 82 15.022 -5.202 -11.874 1.00 62.42 C ATOM 1294 C GLU A 82 16.108 -4.463 -11.083 1.00 74.33 C ATOM 1295 O GLU A 82 16.037 -4.437 -9.849 1.00 24.32 O ATOM 1296 CB GLU A 82 14.039 -4.137 -12.379 1.00 42.53 C ATOM 1297 CG GLU A 82 12.874 -4.657 -13.226 1.00 65.43 C ATOM 1298 CD GLU A 82 13.323 -4.953 -14.648 1.00 33.32 C ATOM 1299 OE1 GLU A 82 13.433 -3.999 -15.455 1.00 31.35 O ATOM 1300 OE2 GLU A 82 13.592 -6.139 -14.950 1.00 43.42 O ATOM 0 H GLU A 82 13.601 -5.755 -10.430 1.00 34.01 H new ATOM 0 HA GLU A 82 15.432 -5.758 -12.718 1.00 62.42 H new ATOM 0 HB2 GLU A 82 13.630 -3.609 -11.518 1.00 42.53 H new ATOM 0 HB3 GLU A 82 14.594 -3.406 -12.967 1.00 42.53 H new ATOM 0 HG2 GLU A 82 12.466 -5.561 -12.774 1.00 65.43 H new ATOM 0 HG3 GLU A 82 12.072 -3.919 -13.240 1.00 65.43 H new ATOM 1307 N PRO A 83 17.034 -3.752 -11.753 1.00 13.13 N ATOM 1308 CA PRO A 83 17.888 -2.776 -11.089 1.00 1.45 C ATOM 1309 C PRO A 83 17.094 -1.660 -10.391 1.00 42.33 C ATOM 1310 O PRO A 83 17.511 -1.225 -9.316 1.00 4.23 O ATOM 1311 CB PRO A 83 18.808 -2.215 -12.178 1.00 50.12 C ATOM 1312 CG PRO A 83 18.050 -2.477 -13.477 1.00 1.31 C ATOM 1313 CD PRO A 83 17.331 -3.790 -13.181 1.00 52.22 C ATOM 0 HA PRO A 83 18.453 -3.251 -10.287 1.00 1.45 H new ATOM 0 HB2 PRO A 83 18.995 -1.151 -12.033 1.00 50.12 H new ATOM 0 HB3 PRO A 83 19.778 -2.712 -12.175 1.00 50.12 H new ATOM 0 HG2 PRO A 83 17.350 -1.674 -13.707 1.00 1.31 H new ATOM 0 HG3 PRO A 83 18.724 -2.566 -14.329 1.00 1.31 H new ATOM 0 HD2 PRO A 83 16.419 -3.880 -13.770 1.00 52.22 H new ATOM 0 HD3 PRO A 83 17.958 -4.647 -13.430 1.00 52.22 H new ATOM 1321 N ALA A 84 15.952 -1.208 -10.933 1.00 34.05 N ATOM 1322 CA ALA A 84 15.309 0.031 -10.481 1.00 13.15 C ATOM 1323 C ALA A 84 13.779 -0.020 -10.343 1.00 65.00 C ATOM 1324 O ALA A 84 13.180 0.986 -9.981 1.00 34.32 O ATOM 1325 CB ALA A 84 15.723 1.152 -11.444 1.00 2.53 C ATOM 0 H ALA A 84 15.456 -1.685 -11.686 1.00 34.05 H new ATOM 0 HA ALA A 84 15.655 0.208 -9.463 1.00 13.15 H new ATOM 0 HB1 ALA A 84 15.259 2.088 -11.133 1.00 2.53 H new ATOM 0 HB2 ALA A 84 16.807 1.262 -11.430 1.00 2.53 H new ATOM 0 HB3 ALA A 84 15.397 0.903 -12.454 1.00 2.53 H new ATOM 1331 N HIS A 85 13.116 -1.141 -10.616 1.00 70.21 N ATOM 1332 CA HIS A 85 11.658 -1.194 -10.649 1.00 32.23 C ATOM 1333 C HIS A 85 11.201 -2.525 -10.073 1.00 34.33 C ATOM 1334 O HIS A 85 11.572 -3.571 -10.595 1.00 14.44 O ATOM 1335 CB HIS A 85 11.187 -0.994 -12.093 1.00 4.12 C ATOM 1336 CG HIS A 85 9.695 -1.050 -12.263 1.00 10.51 C ATOM 1337 ND1 HIS A 85 8.757 -0.521 -11.404 1.00 23.04 N ATOM 1338 CD2 HIS A 85 9.038 -1.558 -13.350 1.00 4.31 C ATOM 1339 CE1 HIS A 85 7.560 -0.664 -11.986 1.00 70.24 C ATOM 1340 NE2 HIS A 85 7.680 -1.282 -13.173 1.00 13.41 N ATOM 0 H HIS A 85 13.570 -2.031 -10.819 1.00 70.21 H new ATOM 0 HA HIS A 85 11.220 -0.401 -10.043 1.00 32.23 H new ATOM 0 HB2 HIS A 85 11.547 -0.030 -12.451 1.00 4.12 H new ATOM 0 HB3 HIS A 85 11.643 -1.758 -12.722 1.00 4.12 H new ATOM 0 HD1 HIS A 85 8.940 -0.099 -10.494 1.00 23.04 H new ATOM 0 HD2 HIS A 85 9.485 -2.075 -14.187 1.00 4.31 H new ATOM 0 HE1 HIS A 85 6.626 -0.329 -11.560 1.00 70.24 H new ATOM 1348 N LYS A 86 10.454 -2.526 -8.969 1.00 10.43 N ATOM 1349 CA LYS A 86 9.948 -3.774 -8.407 1.00 34.15 C ATOM 1350 C LYS A 86 8.465 -3.598 -8.106 1.00 30.41 C ATOM 1351 O LYS A 86 7.975 -2.475 -8.012 1.00 24.14 O ATOM 1352 CB LYS A 86 10.784 -4.248 -7.194 1.00 11.25 C ATOM 1353 CG LYS A 86 12.281 -4.373 -7.543 1.00 22.12 C ATOM 1354 CD LYS A 86 13.150 -5.086 -6.493 1.00 5.31 C ATOM 1355 CE LYS A 86 13.947 -4.121 -5.600 1.00 61.12 C ATOM 1356 NZ LYS A 86 13.145 -3.537 -4.506 1.00 50.20 N ATOM 0 H LYS A 86 10.189 -1.687 -8.453 1.00 10.43 H new ATOM 0 HA LYS A 86 10.053 -4.581 -9.132 1.00 34.15 H new ATOM 0 HB2 LYS A 86 10.660 -3.545 -6.370 1.00 11.25 H new ATOM 0 HB3 LYS A 86 10.410 -5.212 -6.849 1.00 11.25 H new ATOM 0 HG2 LYS A 86 12.372 -4.908 -8.488 1.00 22.12 H new ATOM 0 HG3 LYS A 86 12.683 -3.373 -7.703 1.00 22.12 H new ATOM 0 HD2 LYS A 86 12.511 -5.706 -5.865 1.00 5.31 H new ATOM 0 HD3 LYS A 86 13.844 -5.756 -7.001 1.00 5.31 H new ATOM 0 HE2 LYS A 86 14.798 -4.652 -5.173 1.00 61.12 H new ATOM 0 HE3 LYS A 86 14.349 -3.316 -6.215 1.00 61.12 H new ATOM 0 HZ1 LYS A 86 13.740 -2.897 -3.943 1.00 50.20 H new ATOM 0 HZ2 LYS A 86 12.347 -3.004 -4.907 1.00 50.20 H new ATOM 0 HZ3 LYS A 86 12.782 -4.298 -3.897 1.00 50.20 H new ATOM 1370 N GLU A 87 7.759 -4.697 -7.897 1.00 53.34 N ATOM 1371 CA GLU A 87 6.395 -4.728 -7.408 1.00 25.35 C ATOM 1372 C GLU A 87 6.440 -5.657 -6.205 1.00 42.31 C ATOM 1373 O GLU A 87 7.333 -6.506 -6.102 1.00 65.12 O ATOM 1374 CB GLU A 87 5.355 -5.201 -8.447 1.00 51.44 C ATOM 1375 CG GLU A 87 5.654 -4.922 -9.933 1.00 61.11 C ATOM 1376 CD GLU A 87 4.384 -4.675 -10.752 1.00 32.14 C ATOM 1377 OE1 GLU A 87 3.459 -5.519 -10.695 1.00 44.24 O ATOM 1378 OE2 GLU A 87 4.295 -3.647 -11.461 1.00 63.32 O ATOM 0 H GLU A 87 8.138 -5.628 -8.071 1.00 53.34 H new ATOM 0 HA GLU A 87 6.061 -3.720 -7.162 1.00 25.35 H new ATOM 0 HB2 GLU A 87 5.225 -6.276 -8.327 1.00 51.44 H new ATOM 0 HB3 GLU A 87 4.400 -4.735 -8.203 1.00 51.44 H new ATOM 0 HG2 GLU A 87 6.307 -4.053 -10.012 1.00 61.11 H new ATOM 0 HG3 GLU A 87 6.196 -5.768 -10.356 1.00 61.11 H new ATOM 1385 N PHE A 88 5.508 -5.461 -5.283 1.00 63.12 N ATOM 1386 CA PHE A 88 5.503 -6.067 -3.974 1.00 44.21 C ATOM 1387 C PHE A 88 4.083 -6.542 -3.695 1.00 2.55 C ATOM 1388 O PHE A 88 3.151 -5.739 -3.617 1.00 31.34 O ATOM 1389 CB PHE A 88 6.076 -5.074 -2.958 1.00 32.25 C ATOM 1390 CG PHE A 88 6.345 -5.724 -1.626 1.00 10.43 C ATOM 1391 CD1 PHE A 88 5.276 -5.890 -0.739 1.00 11.33 C ATOM 1392 CD2 PHE A 88 7.618 -6.231 -1.303 1.00 63.23 C ATOM 1393 CE1 PHE A 88 5.442 -6.623 0.439 1.00 45.13 C ATOM 1394 CE2 PHE A 88 7.805 -6.930 -0.098 1.00 32.15 C ATOM 1395 CZ PHE A 88 6.703 -7.158 0.748 1.00 41.33 C ATOM 0 H PHE A 88 4.706 -4.850 -5.440 1.00 63.12 H new ATOM 0 HA PHE A 88 6.146 -6.944 -3.903 1.00 44.21 H new ATOM 0 HB2 PHE A 88 7.001 -4.649 -3.348 1.00 32.25 H new ATOM 0 HB3 PHE A 88 5.377 -4.248 -2.824 1.00 32.25 H new ATOM 0 HD1 PHE A 88 4.317 -5.449 -0.966 1.00 11.33 H new ATOM 0 HD2 PHE A 88 8.448 -6.083 -1.978 1.00 63.23 H new ATOM 0 HE1 PHE A 88 4.607 -6.777 1.107 1.00 45.13 H new ATOM 0 HE2 PHE A 88 8.786 -7.289 0.177 1.00 32.15 H new ATOM 0 HZ PHE A 88 6.829 -7.750 1.643 1.00 41.33 H new ATOM 1405 N GLU A 89 3.899 -7.853 -3.614 1.00 4.13 N ATOM 1406 CA GLU A 89 2.623 -8.549 -3.665 1.00 53.34 C ATOM 1407 C GLU A 89 2.451 -9.333 -2.370 1.00 3.35 C ATOM 1408 O GLU A 89 3.408 -9.944 -1.888 1.00 44.24 O ATOM 1409 CB GLU A 89 2.624 -9.466 -4.907 1.00 30.12 C ATOM 1410 CG GLU A 89 1.926 -8.766 -6.084 1.00 42.32 C ATOM 1411 CD GLU A 89 2.183 -9.383 -7.462 1.00 50.22 C ATOM 1412 OE1 GLU A 89 1.380 -10.239 -7.909 1.00 33.24 O ATOM 1413 OE2 GLU A 89 3.084 -8.909 -8.184 1.00 73.43 O ATOM 0 H GLU A 89 4.684 -8.496 -3.505 1.00 4.13 H new ATOM 0 HA GLU A 89 1.784 -7.858 -3.753 1.00 53.34 H new ATOM 0 HB2 GLU A 89 3.648 -9.719 -5.181 1.00 30.12 H new ATOM 0 HB3 GLU A 89 2.115 -10.402 -4.677 1.00 30.12 H new ATOM 0 HG2 GLU A 89 0.852 -8.766 -5.899 1.00 42.32 H new ATOM 0 HG3 GLU A 89 2.245 -7.724 -6.106 1.00 42.32 H new ATOM 1420 N ALA A 90 1.230 -9.309 -1.828 1.00 21.14 N ATOM 1421 CA ALA A 90 0.815 -10.069 -0.660 1.00 72.00 C ATOM 1422 C ALA A 90 -0.548 -10.695 -0.918 1.00 3.11 C ATOM 1423 O ALA A 90 -1.432 -10.071 -1.523 1.00 30.31 O ATOM 1424 CB ALA A 90 0.720 -9.195 0.599 1.00 65.02 C ATOM 0 H ALA A 90 0.479 -8.735 -2.211 1.00 21.14 H new ATOM 0 HA ALA A 90 1.571 -10.835 -0.488 1.00 72.00 H new ATOM 0 HB1 ALA A 90 0.407 -9.808 1.444 1.00 65.02 H new ATOM 0 HB2 ALA A 90 1.695 -8.755 0.811 1.00 65.02 H new ATOM 0 HB3 ALA A 90 -0.009 -8.401 0.436 1.00 65.02 H new ATOM 1430 N GLY A 91 -0.724 -11.902 -0.396 1.00 5.11 N ATOM 1431 CA GLY A 91 -1.939 -12.688 -0.472 1.00 73.10 C ATOM 1432 C GLY A 91 -1.730 -14.003 0.259 1.00 63.04 C ATOM 1433 O GLY A 91 -0.608 -14.340 0.645 1.00 64.12 O ATOM 0 H GLY A 91 0.017 -12.379 0.117 1.00 5.11 H new ATOM 0 HA2 GLY A 91 -2.770 -12.139 -0.028 1.00 73.10 H new ATOM 0 HA3 GLY A 91 -2.201 -12.875 -1.513 1.00 73.10 H new ATOM 1437 N TYR A 92 -2.816 -14.732 0.495 1.00 25.15 N ATOM 1438 CA TYR A 92 -2.744 -15.980 1.238 1.00 62.10 C ATOM 1439 C TYR A 92 -2.285 -17.135 0.338 1.00 42.30 C ATOM 1440 O TYR A 92 -2.427 -17.111 -0.890 1.00 24.42 O ATOM 1441 CB TYR A 92 -4.085 -16.242 1.953 1.00 24.04 C ATOM 1442 CG TYR A 92 -4.326 -15.282 3.109 1.00 33.12 C ATOM 1443 CD1 TYR A 92 -3.733 -15.537 4.359 1.00 41.13 C ATOM 1444 CD2 TYR A 92 -5.061 -14.093 2.928 1.00 70.34 C ATOM 1445 CE1 TYR A 92 -3.803 -14.587 5.394 1.00 71.21 C ATOM 1446 CE2 TYR A 92 -5.148 -13.146 3.965 1.00 14.35 C ATOM 1447 CZ TYR A 92 -4.501 -13.374 5.201 1.00 52.13 C ATOM 1448 OH TYR A 92 -4.560 -12.451 6.200 1.00 43.22 O ATOM 0 H TYR A 92 -3.753 -14.479 0.182 1.00 25.15 H new ATOM 0 HA TYR A 92 -1.984 -15.901 2.015 1.00 62.10 H new ATOM 0 HB2 TYR A 92 -4.900 -16.152 1.235 1.00 24.04 H new ATOM 0 HB3 TYR A 92 -4.100 -17.266 2.326 1.00 24.04 H new ATOM 0 HD1 TYR A 92 -3.219 -16.472 4.526 1.00 41.13 H new ATOM 0 HD2 TYR A 92 -5.560 -13.908 1.988 1.00 70.34 H new ATOM 0 HE1 TYR A 92 -3.321 -14.786 6.340 1.00 71.21 H new ATOM 0 HE2 TYR A 92 -5.713 -12.238 3.816 1.00 14.35 H new ATOM 0 HH TYR A 92 -5.078 -11.676 5.899 1.00 43.22 H new ATOM 1458 N ASP A 93 -1.768 -18.181 0.977 1.00 62.34 N ATOM 1459 CA ASP A 93 -1.611 -19.529 0.435 1.00 25.31 C ATOM 1460 C ASP A 93 -2.950 -19.984 -0.151 1.00 42.12 C ATOM 1461 O ASP A 93 -4.001 -19.596 0.361 1.00 24.23 O ATOM 1462 CB ASP A 93 -1.150 -20.430 1.587 1.00 4.21 C ATOM 1463 CG ASP A 93 -1.090 -21.922 1.258 1.00 13.12 C ATOM 1464 OD1 ASP A 93 -0.449 -22.304 0.253 1.00 24.12 O ATOM 1465 OD2 ASP A 93 -1.547 -22.721 2.104 1.00 4.32 O ATOM 0 H ASP A 93 -1.430 -18.108 1.936 1.00 62.34 H new ATOM 0 HA ASP A 93 -0.873 -19.570 -0.366 1.00 25.31 H new ATOM 0 HB2 ASP A 93 -0.161 -20.105 1.909 1.00 4.21 H new ATOM 0 HB3 ASP A 93 -1.823 -20.287 2.432 1.00 4.21 H new ATOM 1470 N GLU A 94 -2.928 -20.750 -1.243 1.00 62.44 N ATOM 1471 CA GLU A 94 -4.077 -21.136 -2.073 1.00 63.14 C ATOM 1472 C GLU A 94 -4.870 -19.969 -2.704 1.00 21.25 C ATOM 1473 O GLU A 94 -5.806 -20.223 -3.468 1.00 30.24 O ATOM 1474 CB GLU A 94 -5.008 -22.082 -1.297 1.00 63.04 C ATOM 1475 CG GLU A 94 -4.603 -23.556 -1.364 1.00 2.33 C ATOM 1476 CD GLU A 94 -5.731 -24.412 -0.793 1.00 62.20 C ATOM 1477 OE1 GLU A 94 -6.008 -24.342 0.430 1.00 50.22 O ATOM 1478 OE2 GLU A 94 -6.414 -25.101 -1.583 1.00 13.32 O ATOM 0 H GLU A 94 -2.055 -21.143 -1.596 1.00 62.44 H new ATOM 0 HA GLU A 94 -3.643 -21.656 -2.927 1.00 63.14 H new ATOM 0 HB2 GLU A 94 -5.034 -21.771 -0.253 1.00 63.04 H new ATOM 0 HB3 GLU A 94 -6.021 -21.977 -1.686 1.00 63.04 H new ATOM 0 HG2 GLU A 94 -4.399 -23.843 -2.395 1.00 2.33 H new ATOM 0 HG3 GLU A 94 -3.685 -23.719 -0.800 1.00 2.33 H new ATOM 1485 N SER A 95 -4.533 -18.704 -2.447 1.00 23.15 N ATOM 1486 CA SER A 95 -5.358 -17.546 -2.781 1.00 14.43 C ATOM 1487 C SER A 95 -4.807 -16.805 -4.007 1.00 5.54 C ATOM 1488 O SER A 95 -4.047 -17.365 -4.803 1.00 10.54 O ATOM 1489 CB SER A 95 -5.447 -16.657 -1.533 1.00 63.03 C ATOM 1490 OG SER A 95 -6.689 -15.975 -1.454 1.00 21.43 O ATOM 0 H SER A 95 -3.657 -18.452 -1.989 1.00 23.15 H new ATOM 0 HA SER A 95 -6.363 -17.858 -3.063 1.00 14.43 H new ATOM 0 HB2 SER A 95 -5.312 -17.269 -0.641 1.00 63.03 H new ATOM 0 HB3 SER A 95 -4.635 -15.930 -1.547 1.00 63.03 H new ATOM 0 HG SER A 95 -6.707 -15.421 -0.646 1.00 21.43 H new ATOM 1496 N GLU A 96 -5.229 -15.556 -4.188 1.00 71.00 N ATOM 1497 CA GLU A 96 -4.676 -14.555 -5.089 1.00 12.25 C ATOM 1498 C GLU A 96 -4.343 -13.316 -4.227 1.00 34.43 C ATOM 1499 O GLU A 96 -4.822 -13.237 -3.087 1.00 42.41 O ATOM 1500 CB GLU A 96 -5.724 -14.257 -6.175 1.00 13.21 C ATOM 1501 CG GLU A 96 -5.736 -15.324 -7.285 1.00 23.35 C ATOM 1502 CD GLU A 96 -6.640 -14.962 -8.473 1.00 41.12 C ATOM 1503 OE1 GLU A 96 -6.385 -13.931 -9.131 1.00 45.14 O ATOM 1504 OE2 GLU A 96 -7.558 -15.754 -8.815 1.00 2.33 O ATOM 0 H GLU A 96 -6.027 -15.192 -3.668 1.00 71.00 H new ATOM 0 HA GLU A 96 -3.768 -14.885 -5.594 1.00 12.25 H new ATOM 0 HB2 GLU A 96 -6.712 -14.201 -5.718 1.00 13.21 H new ATOM 0 HB3 GLU A 96 -5.520 -13.281 -6.615 1.00 13.21 H new ATOM 0 HG2 GLU A 96 -4.718 -15.473 -7.645 1.00 23.35 H new ATOM 0 HG3 GLU A 96 -6.067 -16.273 -6.863 1.00 23.35 H new ATOM 1511 N PRO A 97 -3.522 -12.360 -4.697 1.00 10.11 N ATOM 1512 CA PRO A 97 -3.146 -11.209 -3.888 1.00 21.43 C ATOM 1513 C PRO A 97 -4.301 -10.216 -3.716 1.00 53.50 C ATOM 1514 O PRO A 97 -5.260 -10.202 -4.494 1.00 65.14 O ATOM 1515 CB PRO A 97 -1.930 -10.589 -4.586 1.00 51.13 C ATOM 1516 CG PRO A 97 -2.140 -10.962 -6.049 1.00 50.22 C ATOM 1517 CD PRO A 97 -2.798 -12.344 -5.959 1.00 1.42 C ATOM 0 HA PRO A 97 -2.898 -11.506 -2.869 1.00 21.43 H new ATOM 0 HB2 PRO A 97 -1.894 -9.508 -4.447 1.00 51.13 H new ATOM 0 HB3 PRO A 97 -0.994 -10.992 -4.198 1.00 51.13 H new ATOM 0 HG2 PRO A 97 -2.779 -10.243 -6.562 1.00 50.22 H new ATOM 0 HG3 PRO A 97 -1.198 -10.998 -6.596 1.00 50.22 H new ATOM 0 HD2 PRO A 97 -3.473 -12.511 -6.799 1.00 1.42 H new ATOM 0 HD3 PRO A 97 -2.049 -13.136 -5.990 1.00 1.42 H new ATOM 1525 N SER A 98 -4.174 -9.355 -2.707 1.00 42.10 N ATOM 1526 CA SER A 98 -5.075 -8.227 -2.452 1.00 30.01 C ATOM 1527 C SER A 98 -4.313 -6.971 -2.013 1.00 74.42 C ATOM 1528 O SER A 98 -4.870 -5.874 -2.047 1.00 24.25 O ATOM 1529 CB SER A 98 -6.093 -8.604 -1.376 1.00 1.54 C ATOM 1530 OG SER A 98 -6.925 -9.648 -1.838 1.00 42.24 O ATOM 0 H SER A 98 -3.420 -9.423 -2.023 1.00 42.10 H new ATOM 0 HA SER A 98 -5.586 -8.001 -3.388 1.00 30.01 H new ATOM 0 HB2 SER A 98 -5.576 -8.916 -0.469 1.00 1.54 H new ATOM 0 HB3 SER A 98 -6.697 -7.735 -1.116 1.00 1.54 H new ATOM 0 HG SER A 98 -7.572 -9.883 -1.141 1.00 42.24 H new ATOM 1536 N LEU A 99 -3.033 -7.097 -1.661 1.00 5.41 N ATOM 1537 CA LEU A 99 -2.167 -5.974 -1.340 1.00 64.01 C ATOM 1538 C LEU A 99 -1.069 -5.989 -2.393 1.00 13.41 C ATOM 1539 O LEU A 99 -0.299 -6.952 -2.473 1.00 13.53 O ATOM 1540 CB LEU A 99 -1.609 -6.116 0.085 1.00 22.05 C ATOM 1541 CG LEU A 99 -0.853 -4.865 0.571 1.00 12.32 C ATOM 1542 CD1 LEU A 99 -1.820 -3.770 1.038 1.00 74.41 C ATOM 1543 CD2 LEU A 99 0.066 -5.242 1.732 1.00 54.10 C ATOM 0 H LEU A 99 -2.566 -8.001 -1.591 1.00 5.41 H new ATOM 0 HA LEU A 99 -2.699 -5.023 -1.356 1.00 64.01 H new ATOM 0 HB2 LEU A 99 -2.431 -6.325 0.770 1.00 22.05 H new ATOM 0 HB3 LEU A 99 -0.938 -6.974 0.121 1.00 22.05 H new ATOM 0 HG LEU A 99 -0.272 -4.479 -0.266 1.00 12.32 H new ATOM 0 HD11 LEU A 99 -1.252 -2.902 1.374 1.00 74.41 H new ATOM 0 HD12 LEU A 99 -2.469 -3.481 0.211 1.00 74.41 H new ATOM 0 HD13 LEU A 99 -2.427 -4.147 1.861 1.00 74.41 H new ATOM 0 HD21 LEU A 99 0.601 -4.356 2.075 1.00 54.10 H new ATOM 0 HD22 LEU A 99 -0.529 -5.647 2.551 1.00 54.10 H new ATOM 0 HD23 LEU A 99 0.783 -5.992 1.399 1.00 54.10 H new ATOM 1555 N ARG A 100 -1.007 -4.948 -3.217 1.00 41.34 N ATOM 1556 CA ARG A 100 -0.001 -4.814 -4.271 1.00 24.45 C ATOM 1557 C ARG A 100 0.570 -3.413 -4.199 1.00 32.11 C ATOM 1558 O ARG A 100 -0.176 -2.455 -4.015 1.00 70.41 O ATOM 1559 CB ARG A 100 -0.631 -5.120 -5.636 1.00 41.54 C ATOM 1560 CG ARG A 100 0.352 -5.120 -6.819 1.00 10.15 C ATOM 1561 CD ARG A 100 -0.333 -5.631 -8.095 1.00 62.31 C ATOM 1562 NE ARG A 100 -0.305 -7.099 -8.209 1.00 51.24 N ATOM 1563 CZ ARG A 100 -1.080 -7.838 -9.016 1.00 3.15 C ATOM 1564 NH1 ARG A 100 -2.058 -7.292 -9.732 1.00 13.34 N ATOM 1565 NH2 ARG A 100 -0.860 -9.143 -9.109 1.00 1.11 N ATOM 0 H ARG A 100 -1.659 -4.165 -3.173 1.00 41.34 H new ATOM 0 HA ARG A 100 0.811 -5.528 -4.134 1.00 24.45 H new ATOM 0 HB2 ARG A 100 -1.116 -6.095 -5.586 1.00 41.54 H new ATOM 0 HB3 ARG A 100 -1.412 -4.386 -5.832 1.00 41.54 H new ATOM 0 HG2 ARG A 100 0.731 -4.111 -6.983 1.00 10.15 H new ATOM 0 HG3 ARG A 100 1.211 -5.749 -6.585 1.00 10.15 H new ATOM 0 HD2 ARG A 100 -1.368 -5.290 -8.108 1.00 62.31 H new ATOM 0 HD3 ARG A 100 0.157 -5.194 -8.965 1.00 62.31 H new ATOM 0 HE ARG A 100 0.363 -7.598 -7.622 1.00 51.24 H new ATOM 0 HH11 ARG A 100 -2.233 -6.289 -9.675 1.00 13.34 H new ATOM 0 HH12 ARG A 100 -2.633 -7.876 -10.339 1.00 13.34 H new ATOM 0 HH21 ARG A 100 -0.108 -9.573 -8.570 1.00 1.11 H new ATOM 0 HH22 ARG A 100 -1.443 -9.716 -9.719 1.00 1.11 H new ATOM 1579 N VAL A 101 1.882 -3.283 -4.331 1.00 2.52 N ATOM 1580 CA VAL A 101 2.583 -2.021 -4.169 1.00 54.50 C ATOM 1581 C VAL A 101 3.683 -1.995 -5.210 1.00 23.11 C ATOM 1582 O VAL A 101 4.580 -2.838 -5.191 1.00 41.34 O ATOM 1583 CB VAL A 101 3.158 -1.881 -2.748 1.00 41.54 C ATOM 1584 CG1 VAL A 101 3.600 -0.426 -2.519 1.00 21.03 C ATOM 1585 CG2 VAL A 101 2.144 -2.242 -1.665 1.00 43.51 C ATOM 0 H VAL A 101 2.497 -4.064 -4.557 1.00 2.52 H new ATOM 0 HA VAL A 101 1.902 -1.181 -4.306 1.00 54.50 H new ATOM 0 HB VAL A 101 3.997 -2.573 -2.675 1.00 41.54 H new ATOM 0 HG11 VAL A 101 4.008 -0.324 -1.513 1.00 21.03 H new ATOM 0 HG12 VAL A 101 4.364 -0.159 -3.249 1.00 21.03 H new ATOM 0 HG13 VAL A 101 2.742 0.237 -2.632 1.00 21.03 H new ATOM 0 HG21 VAL A 101 2.603 -2.125 -0.683 1.00 43.51 H new ATOM 0 HG22 VAL A 101 1.279 -1.583 -1.742 1.00 43.51 H new ATOM 0 HG23 VAL A 101 1.825 -3.276 -1.796 1.00 43.51 H new ATOM 1595 N VAL A 102 3.609 -1.064 -6.146 1.00 4.11 N ATOM 1596 CA VAL A 102 4.654 -0.906 -7.151 1.00 61.04 C ATOM 1597 C VAL A 102 5.684 0.089 -6.609 1.00 44.43 C ATOM 1598 O VAL A 102 5.337 0.987 -5.837 1.00 71.01 O ATOM 1599 CB VAL A 102 4.006 -0.514 -8.489 1.00 53.20 C ATOM 1600 CG1 VAL A 102 5.024 -0.362 -9.620 1.00 52.13 C ATOM 1601 CG2 VAL A 102 3.017 -1.609 -8.923 1.00 11.32 C ATOM 0 H VAL A 102 2.836 -0.404 -6.233 1.00 4.11 H new ATOM 0 HA VAL A 102 5.194 -1.831 -7.352 1.00 61.04 H new ATOM 0 HB VAL A 102 3.515 0.445 -8.322 1.00 53.20 H new ATOM 0 HG11 VAL A 102 4.508 -0.085 -10.539 1.00 52.13 H new ATOM 0 HG12 VAL A 102 5.744 0.414 -9.360 1.00 52.13 H new ATOM 0 HG13 VAL A 102 5.547 -1.307 -9.768 1.00 52.13 H new ATOM 0 HG21 VAL A 102 2.558 -1.330 -9.872 1.00 11.32 H new ATOM 0 HG22 VAL A 102 3.548 -2.553 -9.041 1.00 11.32 H new ATOM 0 HG23 VAL A 102 2.242 -1.721 -8.164 1.00 11.32 H new ATOM 1611 N PHE A 103 6.951 -0.081 -6.997 1.00 70.33 N ATOM 1612 CA PHE A 103 8.080 0.750 -6.604 1.00 22.15 C ATOM 1613 C PHE A 103 8.936 1.058 -7.837 1.00 12.44 C ATOM 1614 O PHE A 103 9.241 0.181 -8.645 1.00 22.32 O ATOM 1615 CB PHE A 103 8.916 0.025 -5.552 1.00 12.41 C ATOM 1616 CG PHE A 103 8.290 -0.095 -4.174 1.00 62.03 C ATOM 1617 CD1 PHE A 103 7.431 -1.170 -3.877 1.00 23.22 C ATOM 1618 CD2 PHE A 103 8.603 0.846 -3.173 1.00 44.40 C ATOM 1619 CE1 PHE A 103 6.889 -1.298 -2.587 1.00 73.13 C ATOM 1620 CE2 PHE A 103 8.065 0.711 -1.880 1.00 74.42 C ATOM 1621 CZ PHE A 103 7.203 -0.360 -1.589 1.00 64.32 C ATOM 0 H PHE A 103 7.225 -0.839 -7.623 1.00 70.33 H new ATOM 0 HA PHE A 103 7.714 1.684 -6.178 1.00 22.15 H new ATOM 0 HB2 PHE A 103 9.136 -0.978 -5.918 1.00 12.41 H new ATOM 0 HB3 PHE A 103 9.869 0.544 -5.453 1.00 12.41 H new ATOM 0 HD1 PHE A 103 7.189 -1.895 -4.640 1.00 23.22 H new ATOM 0 HD2 PHE A 103 9.258 1.674 -3.399 1.00 44.40 H new ATOM 0 HE1 PHE A 103 6.228 -2.122 -2.361 1.00 73.13 H new ATOM 0 HE2 PHE A 103 8.314 1.429 -1.113 1.00 74.42 H new ATOM 0 HZ PHE A 103 6.782 -0.462 -0.600 1.00 64.32 H new ATOM 1631 N GLU A 104 9.335 2.315 -7.995 1.00 61.04 N ATOM 1632 CA GLU A 104 10.049 2.870 -9.139 1.00 72.34 C ATOM 1633 C GLU A 104 11.119 3.806 -8.582 1.00 70.03 C ATOM 1634 O GLU A 104 10.812 4.853 -8.006 1.00 50.41 O ATOM 1635 CB GLU A 104 9.072 3.645 -10.038 1.00 45.40 C ATOM 1636 CG GLU A 104 8.251 2.761 -10.989 1.00 42.32 C ATOM 1637 CD GLU A 104 7.123 3.532 -11.697 1.00 13.31 C ATOM 1638 OE1 GLU A 104 7.083 4.782 -11.689 1.00 1.35 O ATOM 1639 OE2 GLU A 104 6.188 2.875 -12.217 1.00 13.31 O ATOM 0 H GLU A 104 9.156 3.020 -7.280 1.00 61.04 H new ATOM 0 HA GLU A 104 10.502 2.083 -9.742 1.00 72.34 H new ATOM 0 HB2 GLU A 104 8.388 4.212 -9.407 1.00 45.40 H new ATOM 0 HB3 GLU A 104 9.635 4.368 -10.628 1.00 45.40 H new ATOM 0 HG2 GLU A 104 8.914 2.328 -11.738 1.00 42.32 H new ATOM 0 HG3 GLU A 104 7.821 1.932 -10.427 1.00 42.32 H new ATOM 1646 N LEU A 105 12.374 3.389 -8.695 1.00 33.24 N ATOM 1647 CA LEU A 105 13.560 4.155 -8.366 1.00 13.54 C ATOM 1648 C LEU A 105 13.833 5.127 -9.508 1.00 62.02 C ATOM 1649 O LEU A 105 14.133 4.693 -10.618 1.00 71.31 O ATOM 1650 CB LEU A 105 14.720 3.166 -8.208 1.00 52.22 C ATOM 1651 CG LEU A 105 16.079 3.797 -7.907 1.00 53.20 C ATOM 1652 CD1 LEU A 105 16.095 4.415 -6.517 1.00 2.55 C ATOM 1653 CD2 LEU A 105 17.152 2.717 -8.016 1.00 54.13 C ATOM 0 H LEU A 105 12.599 2.455 -9.038 1.00 33.24 H new ATOM 0 HA LEU A 105 13.435 4.722 -7.443 1.00 13.54 H new ATOM 0 HB2 LEU A 105 14.475 2.470 -7.406 1.00 52.22 H new ATOM 0 HB3 LEU A 105 14.804 2.581 -9.124 1.00 52.22 H new ATOM 0 HG LEU A 105 16.275 4.593 -8.626 1.00 53.20 H new ATOM 0 HD11 LEU A 105 17.073 4.857 -6.327 1.00 2.55 H new ATOM 0 HD12 LEU A 105 15.329 5.187 -6.453 1.00 2.55 H new ATOM 0 HD13 LEU A 105 15.895 3.643 -5.773 1.00 2.55 H new ATOM 0 HD21 LEU A 105 18.129 3.152 -7.804 1.00 54.13 H new ATOM 0 HD22 LEU A 105 16.944 1.924 -7.298 1.00 54.13 H new ATOM 0 HD23 LEU A 105 17.150 2.303 -9.024 1.00 54.13 H new ATOM 1665 N THR A 106 13.756 6.429 -9.254 1.00 22.31 N ATOM 1666 CA THR A 106 14.118 7.464 -10.217 1.00 41.14 C ATOM 1667 C THR A 106 15.051 8.432 -9.493 1.00 34.05 C ATOM 1668 O THR A 106 14.815 8.718 -8.323 1.00 10.32 O ATOM 1669 CB THR A 106 12.828 8.126 -10.730 1.00 74.12 C ATOM 1670 OG1 THR A 106 12.004 7.127 -11.305 1.00 62.30 O ATOM 1671 CG2 THR A 106 13.072 9.198 -11.795 1.00 30.03 C ATOM 0 H THR A 106 13.436 6.801 -8.360 1.00 22.31 H new ATOM 0 HA THR A 106 14.638 7.076 -11.092 1.00 41.14 H new ATOM 0 HB THR A 106 12.363 8.612 -9.872 1.00 74.12 H new ATOM 0 HG1 THR A 106 11.177 7.535 -11.635 1.00 62.30 H new ATOM 0 HG21 THR A 106 12.118 9.621 -12.110 1.00 30.03 H new ATOM 0 HG22 THR A 106 13.700 9.987 -11.380 1.00 30.03 H new ATOM 0 HG23 THR A 106 13.572 8.750 -12.654 1.00 30.03 H new ATOM 1679 N ASP A 107 16.120 8.904 -10.144 1.00 44.12 N ATOM 1680 CA ASP A 107 17.072 9.883 -9.581 1.00 34.02 C ATOM 1681 C ASP A 107 17.727 9.399 -8.275 1.00 62.40 C ATOM 1682 O ASP A 107 18.215 10.198 -7.479 1.00 4.24 O ATOM 1683 CB ASP A 107 16.363 11.240 -9.418 1.00 14.22 C ATOM 1684 CG ASP A 107 17.276 12.455 -9.185 1.00 54.11 C ATOM 1685 OD1 ASP A 107 18.455 12.481 -9.615 1.00 12.33 O ATOM 1686 OD2 ASP A 107 16.753 13.451 -8.623 1.00 3.43 O ATOM 0 H ASP A 107 16.357 8.615 -11.093 1.00 44.12 H new ATOM 0 HA ASP A 107 17.900 10.000 -10.280 1.00 34.02 H new ATOM 0 HB2 ASP A 107 15.766 11.425 -10.311 1.00 14.22 H new ATOM 0 HB3 ASP A 107 15.669 11.166 -8.581 1.00 14.22 H new ATOM 1691 N GLY A 108 17.735 8.082 -8.025 1.00 71.42 N ATOM 1692 CA GLY A 108 18.249 7.506 -6.793 1.00 12.55 C ATOM 1693 C GLY A 108 17.243 7.507 -5.646 1.00 61.23 C ATOM 1694 O GLY A 108 17.619 7.188 -4.518 1.00 64.23 O ATOM 0 H GLY A 108 17.380 7.388 -8.683 1.00 71.42 H new ATOM 0 HA2 GLY A 108 18.565 6.481 -6.986 1.00 12.55 H new ATOM 0 HA3 GLY A 108 19.136 8.060 -6.486 1.00 12.55 H new ATOM 1698 N LYS A 109 15.983 7.860 -5.906 1.00 62.21 N ATOM 1699 CA LYS A 109 14.939 8.069 -4.910 1.00 44.44 C ATOM 1700 C LYS A 109 13.836 7.049 -5.194 1.00 43.53 C ATOM 1701 O LYS A 109 13.217 7.070 -6.257 1.00 52.33 O ATOM 1702 CB LYS A 109 14.461 9.532 -5.037 1.00 33.35 C ATOM 1703 CG LYS A 109 15.586 10.556 -4.794 1.00 33.15 C ATOM 1704 CD LYS A 109 15.284 11.913 -5.437 1.00 31.25 C ATOM 1705 CE LYS A 109 16.550 12.763 -5.308 1.00 53.34 C ATOM 1706 NZ LYS A 109 16.428 14.079 -5.953 1.00 23.24 N ATOM 0 H LYS A 109 15.651 8.014 -6.858 1.00 62.21 H new ATOM 0 HA LYS A 109 15.278 7.921 -3.885 1.00 44.44 H new ATOM 0 HB2 LYS A 109 14.045 9.687 -6.032 1.00 33.35 H new ATOM 0 HB3 LYS A 109 13.656 9.709 -4.324 1.00 33.35 H new ATOM 0 HG2 LYS A 109 15.729 10.688 -3.722 1.00 33.15 H new ATOM 0 HG3 LYS A 109 16.522 10.167 -5.195 1.00 33.15 H new ATOM 0 HD2 LYS A 109 15.007 11.790 -6.484 1.00 31.25 H new ATOM 0 HD3 LYS A 109 14.443 12.396 -4.940 1.00 31.25 H new ATOM 0 HE2 LYS A 109 16.781 12.902 -4.252 1.00 53.34 H new ATOM 0 HE3 LYS A 109 17.389 12.225 -5.749 1.00 53.34 H new ATOM 0 HZ1 LYS A 109 17.009 14.772 -5.440 1.00 23.24 H new ATOM 0 HZ2 LYS A 109 16.755 14.014 -6.938 1.00 23.24 H new ATOM 0 HZ3 LYS A 109 15.433 14.382 -5.938 1.00 23.24 H new ATOM 1720 N TRP A 110 13.641 6.085 -4.292 1.00 53.41 N ATOM 1721 CA TRP A 110 12.605 5.060 -4.428 1.00 70.31 C ATOM 1722 C TRP A 110 11.234 5.683 -4.213 1.00 52.11 C ATOM 1723 O TRP A 110 10.964 6.179 -3.116 1.00 74.31 O ATOM 1724 CB TRP A 110 12.817 3.940 -3.403 1.00 4.45 C ATOM 1725 CG TRP A 110 13.777 2.879 -3.823 1.00 44.40 C ATOM 1726 CD1 TRP A 110 15.038 2.720 -3.368 1.00 72.44 C ATOM 1727 CD2 TRP A 110 13.577 1.837 -4.823 1.00 64.43 C ATOM 1728 NE1 TRP A 110 15.634 1.675 -4.040 1.00 52.33 N ATOM 1729 CE2 TRP A 110 14.779 1.078 -4.936 1.00 21.41 C ATOM 1730 CE3 TRP A 110 12.508 1.471 -5.666 1.00 31.23 C ATOM 1731 CZ2 TRP A 110 14.905 -0.007 -5.817 1.00 11.24 C ATOM 1732 CZ3 TRP A 110 12.625 0.393 -6.565 1.00 45.30 C ATOM 1733 CH2 TRP A 110 13.817 -0.349 -6.636 1.00 61.32 C ATOM 0 H TRP A 110 14.200 5.993 -3.443 1.00 53.41 H new ATOM 0 HA TRP A 110 12.666 4.639 -5.431 1.00 70.31 H new ATOM 0 HB2 TRP A 110 13.171 4.382 -2.471 1.00 4.45 H new ATOM 0 HB3 TRP A 110 11.854 3.475 -3.190 1.00 4.45 H new ATOM 0 HD1 TRP A 110 15.506 3.317 -2.599 1.00 72.44 H new ATOM 0 HE1 TRP A 110 16.598 1.379 -3.890 1.00 52.33 H new ATOM 0 HE3 TRP A 110 11.583 2.027 -5.622 1.00 31.23 H new ATOM 0 HZ2 TRP A 110 15.825 -0.571 -5.864 1.00 11.24 H new ATOM 0 HZ3 TRP A 110 11.794 0.135 -7.204 1.00 45.30 H new ATOM 0 HH2 TRP A 110 13.896 -1.181 -7.320 1.00 61.32 H new ATOM 1744 N TYR A 111 10.371 5.656 -5.223 1.00 44.20 N ATOM 1745 CA TYR A 111 9.022 6.186 -5.144 1.00 14.31 C ATOM 1746 C TYR A 111 8.018 5.031 -5.289 1.00 32.41 C ATOM 1747 O TYR A 111 8.249 4.170 -6.134 1.00 72.00 O ATOM 1748 CB TYR A 111 8.852 7.238 -6.252 1.00 34.01 C ATOM 1749 CG TYR A 111 9.667 8.529 -6.147 1.00 53.44 C ATOM 1750 CD1 TYR A 111 9.809 9.217 -4.926 1.00 4.33 C ATOM 1751 CD2 TYR A 111 10.236 9.093 -7.305 1.00 65.22 C ATOM 1752 CE1 TYR A 111 10.483 10.451 -4.857 1.00 64.14 C ATOM 1753 CE2 TYR A 111 10.943 10.309 -7.243 1.00 62.30 C ATOM 1754 CZ TYR A 111 11.069 11.000 -6.018 1.00 3.45 C ATOM 1755 OH TYR A 111 11.733 12.189 -5.963 1.00 4.33 O ATOM 0 H TYR A 111 10.597 5.257 -6.134 1.00 44.20 H new ATOM 0 HA TYR A 111 8.839 6.664 -4.182 1.00 14.31 H new ATOM 0 HB2 TYR A 111 9.097 6.765 -7.203 1.00 34.01 H new ATOM 0 HB3 TYR A 111 7.798 7.511 -6.294 1.00 34.01 H new ATOM 0 HD1 TYR A 111 9.393 8.790 -4.026 1.00 4.33 H new ATOM 0 HD2 TYR A 111 10.129 8.586 -8.253 1.00 65.22 H new ATOM 0 HE1 TYR A 111 10.552 10.977 -3.916 1.00 64.14 H new ATOM 0 HE2 TYR A 111 11.391 10.716 -8.137 1.00 62.30 H new ATOM 0 HH TYR A 111 12.073 12.415 -6.854 1.00 4.33 H new ATOM 1765 N VAL A 112 6.919 4.976 -4.515 1.00 21.14 N ATOM 1766 CA VAL A 112 5.767 4.122 -4.875 1.00 51.43 C ATOM 1767 C VAL A 112 4.952 4.854 -5.953 1.00 53.12 C ATOM 1768 O VAL A 112 4.807 6.073 -5.820 1.00 72.13 O ATOM 1769 CB VAL A 112 4.920 3.850 -3.609 1.00 61.13 C ATOM 1770 CG1 VAL A 112 3.544 3.200 -3.844 1.00 25.31 C ATOM 1771 CG2 VAL A 112 5.702 2.974 -2.621 1.00 10.42 C ATOM 0 H VAL A 112 6.802 5.503 -3.649 1.00 21.14 H new ATOM 0 HA VAL A 112 6.094 3.160 -5.270 1.00 51.43 H new ATOM 0 HB VAL A 112 4.721 4.845 -3.211 1.00 61.13 H new ATOM 0 HG11 VAL A 112 3.041 3.057 -2.888 1.00 25.31 H new ATOM 0 HG12 VAL A 112 2.939 3.848 -4.479 1.00 25.31 H new ATOM 0 HG13 VAL A 112 3.676 2.234 -4.332 1.00 25.31 H new ATOM 0 HG21 VAL A 112 5.093 2.791 -1.736 1.00 10.42 H new ATOM 0 HG22 VAL A 112 5.949 2.023 -3.094 1.00 10.42 H new ATOM 0 HG23 VAL A 112 6.621 3.484 -2.331 1.00 10.42 H new ATOM 1781 N THR A 113 4.395 4.163 -6.962 1.00 62.34 N ATOM 1782 CA THR A 113 3.582 4.768 -8.035 1.00 31.15 C ATOM 1783 C THR A 113 2.325 3.989 -8.430 1.00 21.35 C ATOM 1784 O THR A 113 1.558 4.483 -9.263 1.00 31.42 O ATOM 1785 CB THR A 113 4.404 5.004 -9.308 1.00 63.33 C ATOM 1786 OG1 THR A 113 4.789 3.774 -9.882 1.00 1.31 O ATOM 1787 CG2 THR A 113 5.626 5.879 -9.051 1.00 72.30 C ATOM 0 H THR A 113 4.498 3.153 -7.058 1.00 62.34 H new ATOM 0 HA THR A 113 3.255 5.708 -7.591 1.00 31.15 H new ATOM 0 HB THR A 113 3.765 5.540 -10.010 1.00 63.33 H new ATOM 0 HG1 THR A 113 4.562 3.773 -10.835 1.00 1.31 H new ATOM 0 HG21 THR A 113 6.176 6.018 -9.982 1.00 72.30 H new ATOM 0 HG22 THR A 113 5.306 6.849 -8.671 1.00 72.30 H new ATOM 0 HG23 THR A 113 6.271 5.397 -8.317 1.00 72.30 H new ATOM 1795 N ASP A 114 2.059 2.834 -7.820 1.00 52.11 N ATOM 1796 CA ASP A 114 0.740 2.217 -7.910 1.00 61.01 C ATOM 1797 C ASP A 114 0.436 1.485 -6.614 1.00 30.43 C ATOM 1798 O ASP A 114 1.373 1.072 -5.915 1.00 51.11 O ATOM 1799 CB ASP A 114 0.637 1.255 -9.101 1.00 53.14 C ATOM 1800 CG ASP A 114 -0.800 0.766 -9.258 1.00 14.23 C ATOM 1801 OD1 ASP A 114 -1.675 1.645 -9.084 1.00 71.44 O ATOM 1802 OD2 ASP A 114 -1.027 -0.440 -9.513 1.00 4.14 O ATOM 0 H ASP A 114 2.735 2.312 -7.263 1.00 52.11 H new ATOM 0 HA ASP A 114 0.006 3.007 -8.070 1.00 61.01 H new ATOM 0 HB2 ASP A 114 0.960 1.757 -10.013 1.00 53.14 H new ATOM 0 HB3 ASP A 114 1.304 0.406 -8.951 1.00 53.14 H new ATOM 1807 N CYS A 115 -0.849 1.345 -6.279 1.00 74.24 N ATOM 1808 CA CYS A 115 -1.279 0.723 -5.046 1.00 52.50 C ATOM 1809 C CYS A 115 -2.496 -0.177 -5.273 1.00 23.24 C ATOM 1810 O CYS A 115 -3.392 0.132 -6.058 1.00 34.32 O ATOM 1811 CB CYS A 115 -1.589 1.837 -4.035 1.00 64.12 C ATOM 1812 SG CYS A 115 -3.111 2.721 -4.458 1.00 41.13 S ATOM 0 H CYS A 115 -1.618 1.666 -6.867 1.00 74.24 H new ATOM 0 HA CYS A 115 -0.488 0.081 -4.659 1.00 52.50 H new ATOM 0 HB2 CYS A 115 -1.683 1.407 -3.038 1.00 64.12 H new ATOM 0 HB3 CYS A 115 -0.757 2.540 -4.002 1.00 64.12 H new ATOM 0 HG CYS A 115 -4.020 2.473 -3.563 1.00 41.13 H new ATOM 1818 N TYR A 116 -2.602 -1.217 -4.466 1.00 64.40 N ATOM 1819 CA TYR A 116 -3.811 -1.952 -4.187 1.00 70.02 C ATOM 1820 C TYR A 116 -3.778 -2.102 -2.674 1.00 24.11 C ATOM 1821 O TYR A 116 -2.838 -2.706 -2.150 1.00 21.42 O ATOM 1822 CB TYR A 116 -3.774 -3.276 -4.954 1.00 73.24 C ATOM 1823 CG TYR A 116 -5.081 -3.697 -5.574 1.00 23.33 C ATOM 1824 CD1 TYR A 116 -6.100 -4.245 -4.779 1.00 5.21 C ATOM 1825 CD2 TYR A 116 -5.242 -3.595 -6.966 1.00 32.33 C ATOM 1826 CE1 TYR A 116 -7.292 -4.692 -5.382 1.00 31.13 C ATOM 1827 CE2 TYR A 116 -6.421 -4.052 -7.571 1.00 52.54 C ATOM 1828 CZ TYR A 116 -7.453 -4.603 -6.785 1.00 25.34 C ATOM 1829 OH TYR A 116 -8.579 -5.058 -7.398 1.00 52.23 O ATOM 0 H TYR A 116 -1.797 -1.588 -3.961 1.00 64.40 H new ATOM 0 HA TYR A 116 -4.739 -1.475 -4.502 1.00 70.02 H new ATOM 0 HB2 TYR A 116 -3.025 -3.200 -5.742 1.00 73.24 H new ATOM 0 HB3 TYR A 116 -3.443 -4.062 -4.275 1.00 73.24 H new ATOM 0 HD1 TYR A 116 -5.971 -4.324 -3.710 1.00 5.21 H new ATOM 0 HD2 TYR A 116 -4.457 -3.164 -7.570 1.00 32.33 H new ATOM 0 HE1 TYR A 116 -8.084 -5.103 -4.773 1.00 31.13 H new ATOM 0 HE2 TYR A 116 -6.539 -3.982 -8.642 1.00 52.54 H new ATOM 0 HH TYR A 116 -8.508 -4.910 -8.364 1.00 52.23 H new ATOM 1839 N ASN A 117 -4.682 -1.431 -1.959 1.00 41.44 N ATOM 1840 CA ASN A 117 -4.958 -1.711 -0.547 1.00 4.42 C ATOM 1841 C ASN A 117 -6.262 -2.488 -0.502 1.00 54.10 C ATOM 1842 O ASN A 117 -7.022 -2.498 -1.479 1.00 62.42 O ATOM 1843 CB ASN A 117 -5.071 -0.427 0.306 1.00 31.23 C ATOM 1844 CG ASN A 117 -3.723 0.043 0.853 1.00 42.34 C ATOM 1845 OD1 ASN A 117 -2.951 0.665 0.126 1.00 13.32 O ATOM 1846 ND2 ASN A 117 -3.369 -0.210 2.105 1.00 14.33 N ATOM 0 H ASN A 117 -5.247 -0.674 -2.344 1.00 41.44 H new ATOM 0 HA ASN A 117 -4.130 -2.279 -0.122 1.00 4.42 H new ATOM 0 HB2 ASN A 117 -5.509 0.367 -0.298 1.00 31.23 H new ATOM 0 HB3 ASN A 117 -5.752 -0.608 1.138 1.00 31.23 H new ATOM 0 HD21 ASN A 117 -2.466 0.110 2.454 1.00 14.33 H new ATOM 0 HD22 ASN A 117 -4.000 -0.725 2.719 1.00 14.33 H new ATOM 1853 N ASP A 118 -6.559 -3.086 0.642 1.00 65.43 N ATOM 1854 CA ASP A 118 -7.811 -3.783 0.896 1.00 63.14 C ATOM 1855 C ASP A 118 -8.893 -2.853 1.443 1.00 10.31 C ATOM 1856 O ASP A 118 -10.069 -3.120 1.187 1.00 63.40 O ATOM 1857 CB ASP A 118 -7.548 -4.971 1.832 1.00 65.21 C ATOM 1858 CG ASP A 118 -6.921 -4.511 3.147 1.00 10.55 C ATOM 1859 OD1 ASP A 118 -5.671 -4.398 3.216 1.00 33.34 O ATOM 1860 OD2 ASP A 118 -7.687 -4.139 4.054 1.00 53.22 O ATOM 0 H ASP A 118 -5.921 -3.100 1.438 1.00 65.43 H new ATOM 0 HA ASP A 118 -8.198 -4.158 -0.052 1.00 63.14 H new ATOM 0 HB2 ASP A 118 -8.484 -5.491 2.035 1.00 65.21 H new ATOM 0 HB3 ASP A 118 -6.887 -5.685 1.341 1.00 65.21 H new ATOM 1865 N TRP A 119 -8.522 -1.711 2.040 1.00 51.44 N ATOM 1866 CA TRP A 119 -9.444 -0.727 2.616 1.00 12.53 C ATOM 1867 C TRP A 119 -10.603 -0.297 1.705 1.00 73.33 C ATOM 1868 O TRP A 119 -11.678 0.018 2.214 1.00 30.12 O ATOM 1869 CB TRP A 119 -8.666 0.526 3.060 1.00 13.24 C ATOM 1870 CG TRP A 119 -8.103 0.496 4.450 1.00 44.30 C ATOM 1871 CD1 TRP A 119 -6.798 0.404 4.801 1.00 5.51 C ATOM 1872 CD2 TRP A 119 -8.839 0.648 5.708 1.00 74.13 C ATOM 1873 NE1 TRP A 119 -6.687 0.468 6.171 1.00 51.53 N ATOM 1874 CE2 TRP A 119 -7.905 0.613 6.786 1.00 31.03 C ATOM 1875 CE3 TRP A 119 -10.194 0.872 6.051 1.00 4.32 C ATOM 1876 CZ2 TRP A 119 -8.284 0.767 8.129 1.00 43.54 C ATOM 1877 CZ3 TRP A 119 -10.587 1.029 7.397 1.00 42.23 C ATOM 1878 CH2 TRP A 119 -9.636 0.976 8.432 1.00 62.23 C ATOM 0 H TRP A 119 -7.543 -1.441 2.137 1.00 51.44 H new ATOM 0 HA TRP A 119 -9.903 -1.239 3.462 1.00 12.53 H new ATOM 0 HB2 TRP A 119 -7.845 0.686 2.361 1.00 13.24 H new ATOM 0 HB3 TRP A 119 -9.328 1.388 2.977 1.00 13.24 H new ATOM 0 HD1 TRP A 119 -5.973 0.297 4.113 1.00 5.51 H new ATOM 0 HE1 TRP A 119 -5.800 0.414 6.672 1.00 51.53 H new ATOM 0 HE3 TRP A 119 -10.939 0.924 5.270 1.00 4.32 H new ATOM 0 HZ2 TRP A 119 -7.545 0.725 8.916 1.00 43.54 H new ATOM 0 HZ3 TRP A 119 -11.628 1.191 7.635 1.00 42.23 H new ATOM 0 HH2 TRP A 119 -9.948 1.096 9.459 1.00 62.23 H new ATOM 1889 N TYR A 120 -10.429 -0.283 0.381 1.00 14.51 N ATOM 1890 CA TYR A 120 -11.435 0.227 -0.550 1.00 62.00 C ATOM 1891 C TYR A 120 -11.630 -0.822 -1.660 1.00 3.35 C ATOM 1892 O TYR A 120 -11.624 -0.514 -2.853 1.00 5.52 O ATOM 1893 CB TYR A 120 -11.057 1.646 -1.050 1.00 72.43 C ATOM 1894 CG TYR A 120 -10.574 2.673 -0.017 1.00 30.25 C ATOM 1895 CD1 TYR A 120 -9.229 2.640 0.411 1.00 73.11 C ATOM 1896 CD2 TYR A 120 -11.421 3.696 0.476 1.00 21.25 C ATOM 1897 CE1 TYR A 120 -8.755 3.534 1.388 1.00 74.04 C ATOM 1898 CE2 TYR A 120 -10.935 4.614 1.437 1.00 32.33 C ATOM 1899 CZ TYR A 120 -9.625 4.507 1.921 1.00 5.22 C ATOM 1900 OH TYR A 120 -9.223 5.391 2.871 1.00 10.51 O ATOM 0 H TYR A 120 -9.584 -0.626 -0.075 1.00 14.51 H new ATOM 0 HA TYR A 120 -12.400 0.365 -0.062 1.00 62.00 H new ATOM 0 HB2 TYR A 120 -10.276 1.537 -1.802 1.00 72.43 H new ATOM 0 HB3 TYR A 120 -11.928 2.065 -1.554 1.00 72.43 H new ATOM 0 HD1 TYR A 120 -8.553 1.916 -0.019 1.00 73.11 H new ATOM 0 HD2 TYR A 120 -12.437 3.775 0.119 1.00 21.25 H new ATOM 0 HE1 TYR A 120 -7.731 3.475 1.728 1.00 74.04 H new ATOM 0 HE2 TYR A 120 -11.578 5.402 1.800 1.00 32.33 H new ATOM 0 HH TYR A 120 -8.252 5.513 2.815 1.00 10.51 H new ATOM 1910 N ASN A 121 -11.719 -2.105 -1.281 1.00 71.30 N ATOM 1911 CA ASN A 121 -12.143 -3.185 -2.184 1.00 41.51 C ATOM 1912 C ASN A 121 -13.659 -3.130 -2.448 1.00 3.23 C ATOM 1913 O ASN A 121 -14.350 -2.286 -1.881 1.00 24.33 O ATOM 1914 CB ASN A 121 -11.676 -4.558 -1.659 1.00 43.11 C ATOM 1915 CG ASN A 121 -12.573 -5.127 -0.568 1.00 34.42 C ATOM 1916 OD1 ASN A 121 -13.629 -5.668 -0.868 1.00 54.44 O ATOM 1917 ND2 ASN A 121 -12.181 -5.007 0.687 1.00 32.12 N ATOM 0 H ASN A 121 -11.499 -2.424 -0.338 1.00 71.30 H new ATOM 0 HA ASN A 121 -11.658 -3.037 -3.149 1.00 41.51 H new ATOM 0 HB2 ASN A 121 -11.637 -5.262 -2.490 1.00 43.11 H new ATOM 0 HB3 ASN A 121 -10.661 -4.464 -1.272 1.00 43.11 H new ATOM 0 HD21 ASN A 121 -12.764 -5.371 1.441 1.00 32.12 H new ATOM 0 HD22 ASN A 121 -11.295 -4.551 0.903 1.00 32.12 H new ATOM 1924 N PHE A 122 -14.170 -4.032 -3.296 1.00 42.50 N ATOM 1925 CA PHE A 122 -15.552 -4.133 -3.777 1.00 1.45 C ATOM 1926 C PHE A 122 -16.618 -4.065 -2.677 1.00 45.54 C ATOM 1927 O PHE A 122 -17.735 -3.625 -2.952 1.00 23.33 O ATOM 1928 CB PHE A 122 -15.696 -5.440 -4.568 1.00 52.10 C ATOM 1929 CG PHE A 122 -15.484 -5.264 -6.055 1.00 10.55 C ATOM 1930 CD1 PHE A 122 -16.554 -4.820 -6.849 1.00 23.34 C ATOM 1931 CD2 PHE A 122 -14.231 -5.505 -6.641 1.00 72.13 C ATOM 1932 CE1 PHE A 122 -16.380 -4.641 -8.232 1.00 70.34 C ATOM 1933 CE2 PHE A 122 -14.047 -5.277 -8.017 1.00 4.54 C ATOM 1934 CZ PHE A 122 -15.122 -4.857 -8.816 1.00 13.25 C ATOM 0 H PHE A 122 -13.583 -4.765 -3.693 1.00 42.50 H new ATOM 0 HA PHE A 122 -15.733 -3.260 -4.404 1.00 1.45 H new ATOM 0 HB2 PHE A 122 -14.978 -6.167 -4.189 1.00 52.10 H new ATOM 0 HB3 PHE A 122 -16.690 -5.854 -4.396 1.00 52.10 H new ATOM 0 HD1 PHE A 122 -17.513 -4.616 -6.396 1.00 23.34 H new ATOM 0 HD2 PHE A 122 -13.411 -5.864 -6.037 1.00 72.13 H new ATOM 0 HE1 PHE A 122 -17.215 -4.337 -8.846 1.00 70.34 H new ATOM 0 HE2 PHE A 122 -13.074 -5.426 -8.461 1.00 4.54 H new ATOM 0 HZ PHE A 122 -14.982 -4.701 -9.875 1.00 13.25 H new ATOM 1944 N ASP A 123 -16.279 -4.443 -1.449 1.00 21.25 N ATOM 1945 CA ASP A 123 -17.120 -4.407 -0.256 1.00 54.20 C ATOM 1946 C ASP A 123 -17.099 -2.989 0.344 1.00 43.20 C ATOM 1947 O ASP A 123 -16.870 -2.806 1.535 1.00 31.41 O ATOM 1948 CB ASP A 123 -16.619 -5.491 0.724 1.00 72.33 C ATOM 1949 CG ASP A 123 -17.709 -6.010 1.657 1.00 73.03 C ATOM 1950 OD1 ASP A 123 -18.257 -5.258 2.501 1.00 1.52 O ATOM 1951 OD2 ASP A 123 -18.047 -7.211 1.554 1.00 45.33 O ATOM 0 H ASP A 123 -15.348 -4.807 -1.246 1.00 21.25 H new ATOM 0 HA ASP A 123 -18.161 -4.629 -0.492 1.00 54.20 H new ATOM 0 HB2 ASP A 123 -16.210 -6.325 0.154 1.00 72.33 H new ATOM 0 HB3 ASP A 123 -15.803 -5.083 1.321 1.00 72.33 H new ATOM 1956 N LEU A 124 -17.170 -1.952 -0.494 1.00 50.24 N ATOM 1957 CA LEU A 124 -17.124 -0.536 -0.148 1.00 53.53 C ATOM 1958 C LEU A 124 -18.137 0.198 -1.022 1.00 1.45 C ATOM 1959 O LEU A 124 -17.826 0.433 -2.188 1.00 51.40 O ATOM 1960 CB LEU A 124 -15.708 0.065 -0.256 1.00 41.24 C ATOM 1961 CG LEU A 124 -15.537 1.506 0.260 1.00 11.34 C ATOM 1962 CD1 LEU A 124 -15.928 2.588 -0.733 1.00 65.01 C ATOM 1963 CD2 LEU A 124 -16.269 1.759 1.578 1.00 71.34 C ATOM 0 H LEU A 124 -17.268 -2.093 -1.499 1.00 50.24 H new ATOM 0 HA LEU A 124 -17.390 -0.416 0.902 1.00 53.53 H new ATOM 0 HB2 LEU A 124 -15.020 -0.579 0.293 1.00 41.24 H new ATOM 0 HB3 LEU A 124 -15.404 0.038 -1.302 1.00 41.24 H new ATOM 0 HG LEU A 124 -14.461 1.580 0.420 1.00 11.34 H new ATOM 0 HD11 LEU A 124 -15.774 3.568 -0.282 1.00 65.01 H new ATOM 0 HD12 LEU A 124 -15.313 2.500 -1.628 1.00 65.01 H new ATOM 0 HD13 LEU A 124 -16.978 2.473 -1.002 1.00 65.01 H new ATOM 0 HD21 LEU A 124 -16.111 2.791 1.890 1.00 71.34 H new ATOM 0 HD22 LEU A 124 -17.336 1.581 1.442 1.00 71.34 H new ATOM 0 HD23 LEU A 124 -15.883 1.086 2.343 1.00 71.34 H new ATOM 1975 N PRO A 125 -19.410 0.361 -0.653 1.00 71.40 N ATOM 1976 CA PRO A 125 -20.292 1.222 -1.422 1.00 4.31 C ATOM 1977 C PRO A 125 -19.864 2.690 -1.272 1.00 1.23 C ATOM 1978 O PRO A 125 -19.337 3.101 -0.235 1.00 61.32 O ATOM 1979 CB PRO A 125 -21.662 0.983 -0.812 1.00 74.22 C ATOM 1980 CG PRO A 125 -21.349 0.748 0.664 1.00 70.01 C ATOM 1981 CD PRO A 125 -20.034 -0.026 0.597 1.00 30.34 C ATOM 0 HA PRO A 125 -20.275 1.009 -2.491 1.00 4.31 H new ATOM 0 HB2 PRO A 125 -22.321 1.840 -0.953 1.00 74.22 H new ATOM 0 HB3 PRO A 125 -22.158 0.122 -1.261 1.00 74.22 H new ATOM 0 HG2 PRO A 125 -21.243 1.684 1.212 1.00 70.01 H new ATOM 0 HG3 PRO A 125 -22.133 0.176 1.160 1.00 70.01 H new ATOM 0 HD2 PRO A 125 -19.394 0.217 1.445 1.00 30.34 H new ATOM 0 HD3 PRO A 125 -20.211 -1.101 0.629 1.00 30.34 H new ATOM 1989 N ILE A 126 -20.179 3.522 -2.269 1.00 61.43 N ATOM 1990 CA ILE A 126 -19.930 4.966 -2.205 1.00 3.40 C ATOM 1991 C ILE A 126 -20.608 5.566 -0.952 1.00 23.32 C ATOM 1992 O ILE A 126 -20.083 6.508 -0.349 1.00 3.20 O ATOM 1993 CB ILE A 126 -20.449 5.662 -3.487 1.00 62.33 C ATOM 1994 CG1 ILE A 126 -19.698 5.207 -4.759 1.00 23.32 C ATOM 1995 CG2 ILE A 126 -20.371 7.196 -3.394 1.00 52.11 C ATOM 1996 CD1 ILE A 126 -20.586 4.516 -5.777 1.00 45.21 C ATOM 0 H ILE A 126 -20.612 3.216 -3.140 1.00 61.43 H new ATOM 0 HA ILE A 126 -18.855 5.133 -2.135 1.00 3.40 H new ATOM 0 HB ILE A 126 -21.493 5.359 -3.565 1.00 62.33 H new ATOM 0 HG12 ILE A 126 -19.233 6.075 -5.226 1.00 23.32 H new ATOM 0 HG13 ILE A 126 -18.893 4.530 -4.473 1.00 23.32 H new ATOM 0 HG21 ILE A 126 -20.747 7.636 -4.318 1.00 52.11 H new ATOM 0 HG22 ILE A 126 -20.976 7.541 -2.556 1.00 52.11 H new ATOM 0 HG23 ILE A 126 -19.335 7.499 -3.243 1.00 52.11 H new ATOM 0 HD11 ILE A 126 -19.990 4.225 -6.642 1.00 45.21 H new ATOM 0 HD12 ILE A 126 -21.031 3.628 -5.328 1.00 45.21 H new ATOM 0 HD13 ILE A 126 -21.376 5.198 -6.093 1.00 45.21 H new ATOM 2008 N ASN A 127 -21.778 5.031 -0.570 1.00 21.43 N ATOM 2009 CA ASN A 127 -22.632 5.544 0.504 1.00 32.41 C ATOM 2010 C ASN A 127 -22.030 5.525 1.904 1.00 22.42 C ATOM 2011 O ASN A 127 -22.580 6.169 2.795 1.00 21.14 O ATOM 2012 CB ASN A 127 -24.009 4.871 0.473 1.00 11.44 C ATOM 2013 CG ASN A 127 -24.116 3.419 0.929 1.00 1.21 C ATOM 2014 OD1 ASN A 127 -23.978 3.129 2.205 1.00 30.23 O flip ATOM 2015 ND2 ASN A 127 -24.387 2.532 0.129 1.00 51.54 N flip ATOM 0 H ASN A 127 -22.166 4.201 -1.018 1.00 21.43 H new ATOM 0 HA ASN A 127 -22.738 6.607 0.285 1.00 32.41 H new ATOM 0 HB2 ASN A 127 -24.683 5.464 1.092 1.00 11.44 H new ATOM 0 HB3 ASN A 127 -24.383 4.927 -0.549 1.00 11.44 H new ATOM 0 HD21 ASN A 127 -24.495 2.753 -0.861 1.00 51.54 H new ATOM 0 HD22 ASN A 127 -24.505 1.572 0.453 1.00 51.54 H new ATOM 2022 N GLU A 128 -20.921 4.822 2.100 1.00 64.13 N ATOM 2023 CA GLU A 128 -20.175 4.790 3.370 1.00 3.24 C ATOM 2024 C GLU A 128 -18.744 5.325 3.212 1.00 52.14 C ATOM 2025 O GLU A 128 -18.010 5.443 4.187 1.00 33.43 O ATOM 2026 CB GLU A 128 -20.175 3.362 3.942 1.00 74.14 C ATOM 2027 CG GLU A 128 -21.590 2.902 4.333 1.00 70.34 C ATOM 2028 CD GLU A 128 -21.825 2.781 5.834 1.00 11.30 C ATOM 2029 OE1 GLU A 128 -21.802 3.819 6.534 1.00 54.54 O ATOM 2030 OE2 GLU A 128 -22.192 1.681 6.297 1.00 12.33 O ATOM 0 H GLU A 128 -20.500 4.244 1.372 1.00 64.13 H new ATOM 0 HA GLU A 128 -20.680 5.452 4.074 1.00 3.24 H new ATOM 0 HB2 GLU A 128 -19.761 2.675 3.204 1.00 74.14 H new ATOM 0 HB3 GLU A 128 -19.525 3.321 4.816 1.00 74.14 H new ATOM 0 HG2 GLU A 128 -22.313 3.605 3.921 1.00 70.34 H new ATOM 0 HG3 GLU A 128 -21.785 1.935 3.869 1.00 70.34 H new ATOM 2037 N LEU A 129 -18.337 5.696 1.996 1.00 54.12 N ATOM 2038 CA LEU A 129 -16.952 5.971 1.628 1.00 23.31 C ATOM 2039 C LEU A 129 -16.348 7.073 2.488 1.00 34.02 C ATOM 2040 O LEU A 129 -15.240 6.907 2.992 1.00 41.45 O ATOM 2041 CB LEU A 129 -16.917 6.276 0.129 1.00 73.12 C ATOM 2042 CG LEU A 129 -15.511 6.244 -0.485 1.00 25.11 C ATOM 2043 CD1 LEU A 129 -15.643 6.025 -1.994 1.00 34.21 C ATOM 2044 CD2 LEU A 129 -14.726 7.520 -0.280 1.00 23.42 C ATOM 0 H LEU A 129 -18.985 5.816 1.218 1.00 54.12 H new ATOM 0 HA LEU A 129 -16.325 5.101 1.821 1.00 23.31 H new ATOM 0 HB2 LEU A 129 -17.546 5.554 -0.392 1.00 73.12 H new ATOM 0 HB3 LEU A 129 -17.353 7.260 -0.041 1.00 73.12 H new ATOM 0 HG LEU A 129 -14.972 5.440 0.017 1.00 25.11 H new ATOM 0 HD11 LEU A 129 -14.652 6.000 -2.446 1.00 34.21 H new ATOM 0 HD12 LEU A 129 -16.151 5.079 -2.181 1.00 34.21 H new ATOM 0 HD13 LEU A 129 -16.220 6.840 -2.431 1.00 34.21 H new ATOM 0 HD21 LEU A 129 -13.744 7.421 -0.742 1.00 23.42 H new ATOM 0 HD22 LEU A 129 -15.260 8.353 -0.738 1.00 23.42 H new ATOM 0 HD23 LEU A 129 -14.608 7.707 0.787 1.00 23.42 H new ATOM 2056 N GLU A 130 -17.078 8.174 2.666 1.00 52.13 N ATOM 2057 CA GLU A 130 -16.684 9.287 3.529 1.00 12.34 C ATOM 2058 C GLU A 130 -16.305 8.783 4.934 1.00 71.14 C ATOM 2059 O GLU A 130 -15.279 9.190 5.480 1.00 1.12 O ATOM 2060 CB GLU A 130 -17.805 10.354 3.559 1.00 4.53 C ATOM 2061 CG GLU A 130 -17.957 11.030 2.183 1.00 61.14 C ATOM 2062 CD GLU A 130 -18.880 12.263 2.123 1.00 65.35 C ATOM 2063 OE1 GLU A 130 -18.491 13.353 2.609 1.00 3.53 O ATOM 2064 OE2 GLU A 130 -19.904 12.207 1.402 1.00 44.43 O ATOM 0 H GLU A 130 -17.976 8.320 2.206 1.00 52.13 H new ATOM 0 HA GLU A 130 -15.792 9.763 3.121 1.00 12.34 H new ATOM 0 HB2 GLU A 130 -18.748 9.889 3.846 1.00 4.53 H new ATOM 0 HB3 GLU A 130 -17.577 11.106 4.315 1.00 4.53 H new ATOM 0 HG2 GLU A 130 -16.967 11.327 1.837 1.00 61.14 H new ATOM 0 HG3 GLU A 130 -18.332 10.288 1.478 1.00 61.14 H new ATOM 2071 N GLU A 131 -17.073 7.845 5.494 1.00 70.23 N ATOM 2072 CA GLU A 131 -16.826 7.276 6.812 1.00 22.34 C ATOM 2073 C GLU A 131 -15.631 6.305 6.797 1.00 73.45 C ATOM 2074 O GLU A 131 -14.909 6.200 7.790 1.00 12.52 O ATOM 2075 CB GLU A 131 -18.107 6.576 7.307 1.00 64.25 C ATOM 2076 CG GLU A 131 -18.261 6.672 8.829 1.00 54.34 C ATOM 2077 CD GLU A 131 -19.357 5.741 9.361 1.00 72.14 C ATOM 2078 OE1 GLU A 131 -20.560 6.036 9.170 1.00 51.32 O ATOM 2079 OE2 GLU A 131 -19.020 4.716 9.986 1.00 44.45 O ATOM 0 H GLU A 131 -17.896 7.456 5.033 1.00 70.23 H new ATOM 0 HA GLU A 131 -16.566 8.081 7.500 1.00 22.34 H new ATOM 0 HB2 GLU A 131 -18.975 7.026 6.825 1.00 64.25 H new ATOM 0 HB3 GLU A 131 -18.085 5.527 7.010 1.00 64.25 H new ATOM 0 HG2 GLU A 131 -17.313 6.423 9.305 1.00 54.34 H new ATOM 0 HG3 GLU A 131 -18.495 7.700 9.104 1.00 54.34 H new ATOM 2086 N THR A 132 -15.380 5.614 5.681 1.00 23.03 N ATOM 2087 CA THR A 132 -14.277 4.669 5.541 1.00 10.23 C ATOM 2088 C THR A 132 -12.952 5.416 5.401 1.00 11.44 C ATOM 2089 O THR A 132 -11.956 5.005 5.996 1.00 13.43 O ATOM 2090 CB THR A 132 -14.559 3.743 4.349 1.00 32.42 C ATOM 2091 OG1 THR A 132 -15.723 2.992 4.618 1.00 11.55 O ATOM 2092 CG2 THR A 132 -13.421 2.775 4.011 1.00 5.53 C ATOM 0 H THR A 132 -15.949 5.700 4.838 1.00 23.03 H new ATOM 0 HA THR A 132 -14.193 4.051 6.435 1.00 10.23 H new ATOM 0 HB THR A 132 -14.677 4.394 3.483 1.00 32.42 H new ATOM 0 HG1 THR A 132 -16.511 3.569 4.537 1.00 11.55 H new ATOM 0 HG21 THR A 132 -13.707 2.161 3.157 1.00 5.53 H new ATOM 0 HG22 THR A 132 -12.523 3.341 3.766 1.00 5.53 H new ATOM 0 HG23 THR A 132 -13.222 2.133 4.869 1.00 5.53 H new ATOM 2100 N ILE A 133 -12.916 6.538 4.674 1.00 4.34 N ATOM 2101 CA ILE A 133 -11.725 7.381 4.659 1.00 3.31 C ATOM 2102 C ILE A 133 -11.397 7.831 6.093 1.00 12.41 C ATOM 2103 O ILE A 133 -10.229 7.829 6.493 1.00 64.13 O ATOM 2104 CB ILE A 133 -11.889 8.563 3.679 1.00 72.24 C ATOM 2105 CG1 ILE A 133 -12.035 8.041 2.237 1.00 72.33 C ATOM 2106 CG2 ILE A 133 -10.624 9.424 3.739 1.00 74.25 C ATOM 2107 CD1 ILE A 133 -12.307 9.116 1.179 1.00 32.03 C ATOM 0 H ILE A 133 -13.687 6.876 4.098 1.00 4.34 H new ATOM 0 HA ILE A 133 -10.876 6.806 4.290 1.00 3.31 H new ATOM 0 HB ILE A 133 -12.774 9.136 3.956 1.00 72.24 H new ATOM 0 HG12 ILE A 133 -11.123 7.509 1.966 1.00 72.33 H new ATOM 0 HG13 ILE A 133 -12.847 7.314 2.211 1.00 72.33 H new ATOM 0 HG21 ILE A 133 -10.723 10.264 3.052 1.00 74.25 H new ATOM 0 HG22 ILE A 133 -10.487 9.799 4.753 1.00 74.25 H new ATOM 0 HG23 ILE A 133 -9.761 8.823 3.454 1.00 74.25 H new ATOM 0 HD11 ILE A 133 -12.393 8.648 0.198 1.00 32.03 H new ATOM 0 HD12 ILE A 133 -13.236 9.634 1.417 1.00 32.03 H new ATOM 0 HD13 ILE A 133 -11.485 9.832 1.168 1.00 32.03 H new ATOM 2119 N GLN A 134 -12.410 8.214 6.874 1.00 1.13 N ATOM 2120 CA GLN A 134 -12.207 8.618 8.259 1.00 32.43 C ATOM 2121 C GLN A 134 -11.684 7.442 9.095 1.00 34.30 C ATOM 2122 O GLN A 134 -10.813 7.654 9.938 1.00 43.34 O ATOM 2123 CB GLN A 134 -13.511 9.193 8.835 1.00 64.23 C ATOM 2124 CG GLN A 134 -14.005 10.447 8.089 1.00 3.22 C ATOM 2125 CD GLN A 134 -13.751 11.725 8.872 1.00 53.55 C ATOM 2126 OE1 GLN A 134 -14.675 12.272 9.477 1.00 54.22 O ATOM 2127 NE2 GLN A 134 -12.530 12.238 8.888 1.00 1.44 N ATOM 0 H GLN A 134 -13.381 8.251 6.565 1.00 1.13 H new ATOM 0 HA GLN A 134 -11.450 9.401 8.295 1.00 32.43 H new ATOM 0 HB2 GLN A 134 -14.286 8.427 8.797 1.00 64.23 H new ATOM 0 HB3 GLN A 134 -13.358 9.440 9.886 1.00 64.23 H new ATOM 0 HG2 GLN A 134 -13.506 10.511 7.122 1.00 3.22 H new ATOM 0 HG3 GLN A 134 -15.073 10.352 7.891 1.00 3.22 H new ATOM 0 HE21 GLN A 134 -11.775 11.774 8.383 1.00 1.44 H new ATOM 0 HE22 GLN A 134 -12.344 13.097 9.406 1.00 1.44 H new ATOM 2136 N ALA A 135 -12.161 6.219 8.833 1.00 54.35 N ATOM 2137 CA ALA A 135 -11.749 5.009 9.534 1.00 11.52 C ATOM 2138 C ALA A 135 -10.275 4.700 9.295 1.00 3.13 C ATOM 2139 O ALA A 135 -9.569 4.338 10.234 1.00 73.44 O ATOM 2140 CB ALA A 135 -12.607 3.819 9.100 1.00 63.31 C ATOM 0 H ALA A 135 -12.860 6.045 8.110 1.00 54.35 H new ATOM 0 HA ALA A 135 -11.892 5.183 10.600 1.00 11.52 H new ATOM 0 HB1 ALA A 135 -12.285 2.925 9.633 1.00 63.31 H new ATOM 0 HB2 ALA A 135 -13.653 4.022 9.330 1.00 63.31 H new ATOM 0 HB3 ALA A 135 -12.495 3.662 8.027 1.00 63.31 H new ATOM 2146 N VAL A 136 -9.780 4.907 8.072 1.00 34.11 N ATOM 2147 CA VAL A 136 -8.349 4.830 7.810 1.00 45.24 C ATOM 2148 C VAL A 136 -7.631 5.801 8.739 1.00 3.11 C ATOM 2149 O VAL A 136 -6.705 5.437 9.465 1.00 44.11 O ATOM 2150 CB VAL A 136 -8.039 5.127 6.325 1.00 3.12 C ATOM 2151 CG1 VAL A 136 -6.530 5.309 6.112 1.00 42.21 C ATOM 2152 CG2 VAL A 136 -8.561 3.996 5.437 1.00 24.33 C ATOM 0 H VAL A 136 -10.349 5.128 7.255 1.00 34.11 H new ATOM 0 HA VAL A 136 -7.993 3.819 8.006 1.00 45.24 H new ATOM 0 HB VAL A 136 -8.542 6.054 6.050 1.00 3.12 H new ATOM 0 HG11 VAL A 136 -6.333 5.517 5.060 1.00 42.21 H new ATOM 0 HG12 VAL A 136 -6.175 6.142 6.719 1.00 42.21 H new ATOM 0 HG13 VAL A 136 -6.009 4.398 6.405 1.00 42.21 H new ATOM 0 HG21 VAL A 136 -8.336 4.219 4.394 1.00 24.33 H new ATOM 0 HG22 VAL A 136 -8.080 3.060 5.720 1.00 24.33 H new ATOM 0 HG23 VAL A 136 -9.640 3.903 5.563 1.00 24.33 H new ATOM 2162 N GLN A 137 -8.051 7.060 8.701 1.00 2.32 N ATOM 2163 CA GLN A 137 -7.354 8.141 9.363 1.00 64.23 C ATOM 2164 C GLN A 137 -7.362 7.984 10.897 1.00 24.44 C ATOM 2165 O GLN A 137 -6.552 8.640 11.555 1.00 51.25 O ATOM 2166 CB GLN A 137 -7.999 9.456 8.886 1.00 2.10 C ATOM 2167 CG GLN A 137 -7.570 9.736 7.432 1.00 51.42 C ATOM 2168 CD GLN A 137 -8.388 10.795 6.691 1.00 32.21 C ATOM 2169 OE1 GLN A 137 -9.252 11.496 7.219 1.00 65.42 O ATOM 2170 NE2 GLN A 137 -8.104 10.940 5.407 1.00 43.34 N ATOM 0 H GLN A 137 -8.892 7.355 8.205 1.00 2.32 H new ATOM 0 HA GLN A 137 -6.297 8.136 9.097 1.00 64.23 H new ATOM 0 HB2 GLN A 137 -9.085 9.386 8.950 1.00 2.10 H new ATOM 0 HB3 GLN A 137 -7.694 10.279 9.532 1.00 2.10 H new ATOM 0 HG2 GLN A 137 -6.525 10.046 7.434 1.00 51.42 H new ATOM 0 HG3 GLN A 137 -7.624 8.803 6.871 1.00 51.42 H new ATOM 0 HE21 GLN A 137 -7.388 10.357 4.974 1.00 43.34 H new ATOM 0 HE22 GLN A 137 -8.601 11.635 4.850 1.00 43.34 H new ATOM 2179 N GLU A 138 -8.201 7.104 11.460 1.00 32.41 N ATOM 2180 CA GLU A 138 -8.174 6.693 12.859 1.00 42.14 C ATOM 2181 C GLU A 138 -6.919 5.877 13.173 1.00 22.45 C ATOM 2182 O GLU A 138 -6.104 6.287 14.002 1.00 44.52 O ATOM 2183 CB GLU A 138 -9.434 5.902 13.247 1.00 73.00 C ATOM 2184 CG GLU A 138 -10.639 6.819 13.489 1.00 1.12 C ATOM 2185 CD GLU A 138 -10.537 7.676 14.753 1.00 23.21 C ATOM 2186 OE1 GLU A 138 -9.535 7.602 15.499 1.00 3.23 O ATOM 2187 OE2 GLU A 138 -11.518 8.413 15.025 1.00 4.32 O ATOM 0 H GLU A 138 -8.942 6.646 10.929 1.00 32.41 H new ATOM 0 HA GLU A 138 -8.153 7.605 13.456 1.00 42.14 H new ATOM 0 HB2 GLU A 138 -9.673 5.191 12.456 1.00 73.00 H new ATOM 0 HB3 GLU A 138 -9.234 5.322 14.148 1.00 73.00 H new ATOM 0 HG2 GLU A 138 -10.759 7.476 12.628 1.00 1.12 H new ATOM 0 HG3 GLU A 138 -11.539 6.207 13.551 1.00 1.12 H new ATOM 2194 N GLU A 139 -6.759 4.696 12.564 1.00 12.44 N ATOM 2195 CA GLU A 139 -5.646 3.781 12.885 1.00 1.43 C ATOM 2196 C GLU A 139 -4.297 4.480 12.643 1.00 74.41 C ATOM 2197 O GLU A 139 -3.362 4.392 13.444 1.00 22.15 O ATOM 2198 CB GLU A 139 -5.727 2.440 12.125 1.00 22.01 C ATOM 2199 CG GLU A 139 -7.146 1.851 11.994 1.00 12.45 C ATOM 2200 CD GLU A 139 -7.207 0.367 11.602 1.00 74.42 C ATOM 2201 OE1 GLU A 139 -6.190 -0.218 11.160 1.00 5.23 O ATOM 2202 OE2 GLU A 139 -8.282 -0.246 11.772 1.00 41.14 O ATOM 0 H GLU A 139 -7.388 4.346 11.841 1.00 12.44 H new ATOM 0 HA GLU A 139 -5.732 3.531 13.942 1.00 1.43 H new ATOM 0 HB2 GLU A 139 -5.314 2.580 11.126 1.00 22.01 H new ATOM 0 HB3 GLU A 139 -5.093 1.713 12.633 1.00 22.01 H new ATOM 0 HG2 GLU A 139 -7.664 1.980 12.944 1.00 12.45 H new ATOM 0 HG3 GLU A 139 -7.694 2.429 11.250 1.00 12.45 H new ATOM 2209 N ASN A 140 -4.265 5.297 11.587 1.00 64.20 N ATOM 2210 CA ASN A 140 -3.137 6.133 11.192 1.00 13.55 C ATOM 2211 C ASN A 140 -2.620 7.034 12.315 1.00 4.14 C ATOM 2212 O ASN A 140 -1.442 7.383 12.303 1.00 64.14 O ATOM 2213 CB ASN A 140 -3.559 7.022 10.015 1.00 65.42 C ATOM 2214 CG ASN A 140 -3.736 6.288 8.692 1.00 21.34 C ATOM 2215 OD1 ASN A 140 -3.992 5.097 8.604 1.00 2.34 O ATOM 2216 ND2 ASN A 140 -3.558 6.995 7.597 1.00 50.54 N ATOM 0 H ASN A 140 -5.062 5.395 10.958 1.00 64.20 H new ATOM 0 HA ASN A 140 -2.328 5.455 10.921 1.00 13.55 H new ATOM 0 HB2 ASN A 140 -4.497 7.516 10.269 1.00 65.42 H new ATOM 0 HB3 ASN A 140 -2.812 7.805 9.883 1.00 65.42 H new ATOM 0 HD21 ASN A 140 -3.634 6.548 6.683 1.00 50.54 H new ATOM 0 HD22 ASN A 140 -3.344 7.990 7.662 1.00 50.54 H new ATOM 2223 N LYS A 141 -3.461 7.474 13.257 1.00 72.42 N ATOM 2224 CA LYS A 141 -3.040 8.311 14.385 1.00 43.32 C ATOM 2225 C LYS A 141 -2.120 7.523 15.304 1.00 1.54 C ATOM 2226 O LYS A 141 -1.005 7.970 15.576 1.00 23.44 O ATOM 2227 CB LYS A 141 -4.259 8.783 15.189 1.00 14.53 C ATOM 2228 CG LYS A 141 -5.142 9.777 14.423 1.00 33.12 C ATOM 2229 CD LYS A 141 -6.620 9.660 14.823 1.00 5.40 C ATOM 2230 CE LYS A 141 -6.860 10.051 16.281 1.00 22.31 C ATOM 2231 NZ LYS A 141 -8.194 9.640 16.760 1.00 22.10 N ATOM 0 H LYS A 141 -4.458 7.258 13.258 1.00 72.42 H new ATOM 0 HA LYS A 141 -2.512 9.177 13.987 1.00 43.32 H new ATOM 0 HB2 LYS A 141 -4.858 7.917 15.470 1.00 14.53 H new ATOM 0 HB3 LYS A 141 -3.918 9.248 16.114 1.00 14.53 H new ATOM 0 HG2 LYS A 141 -4.794 10.792 14.613 1.00 33.12 H new ATOM 0 HG3 LYS A 141 -5.041 9.601 13.352 1.00 33.12 H new ATOM 0 HD2 LYS A 141 -7.221 10.298 14.175 1.00 5.40 H new ATOM 0 HD3 LYS A 141 -6.957 8.636 14.664 1.00 5.40 H new ATOM 0 HE2 LYS A 141 -6.095 9.594 16.908 1.00 22.31 H new ATOM 0 HE3 LYS A 141 -6.755 11.131 16.387 1.00 22.31 H new ATOM 0 HZ1 LYS A 141 -8.101 9.161 17.678 1.00 22.10 H new ATOM 0 HZ2 LYS A 141 -8.798 10.480 16.867 1.00 22.10 H new ATOM 0 HZ3 LYS A 141 -8.625 8.989 16.072 1.00 22.10 H new ATOM 2245 N ALA A 142 -2.598 6.358 15.754 1.00 53.43 N ATOM 2246 CA ALA A 142 -1.860 5.465 16.631 1.00 32.25 C ATOM 2247 C ALA A 142 -0.536 5.053 16.002 1.00 13.13 C ATOM 2248 O ALA A 142 0.433 4.837 16.732 1.00 64.33 O ATOM 2249 CB ALA A 142 -2.712 4.235 16.941 1.00 53.22 C ATOM 0 H ALA A 142 -3.525 6.010 15.510 1.00 53.43 H new ATOM 0 HA ALA A 142 -1.637 5.991 17.559 1.00 32.25 H new ATOM 0 HB1 ALA A 142 -2.158 3.565 17.599 1.00 53.22 H new ATOM 0 HB2 ALA A 142 -3.634 4.546 17.432 1.00 53.22 H new ATOM 0 HB3 ALA A 142 -2.952 3.716 16.013 1.00 53.22 H new ATOM 2255 N PHE A 143 -0.484 4.941 14.674 1.00 30.42 N ATOM 2256 CA PHE A 143 0.756 4.723 13.964 1.00 11.13 C ATOM 2257 C PHE A 143 1.680 5.944 14.074 1.00 42.10 C ATOM 2258 O PHE A 143 2.769 5.842 14.640 1.00 11.42 O ATOM 2259 CB PHE A 143 0.445 4.369 12.506 1.00 42.52 C ATOM 2260 CG PHE A 143 1.710 4.071 11.741 1.00 32.05 C ATOM 2261 CD1 PHE A 143 2.246 2.772 11.794 1.00 11.21 C ATOM 2262 CD2 PHE A 143 2.408 5.108 11.087 1.00 62.32 C ATOM 2263 CE1 PHE A 143 3.517 2.532 11.258 1.00 2.14 C ATOM 2264 CE2 PHE A 143 3.678 4.856 10.549 1.00 3.23 C ATOM 2265 CZ PHE A 143 4.236 3.576 10.655 1.00 51.32 C ATOM 0 H PHE A 143 -1.304 5.000 14.070 1.00 30.42 H new ATOM 0 HA PHE A 143 1.291 3.889 14.417 1.00 11.13 H new ATOM 0 HB2 PHE A 143 -0.218 3.504 12.471 1.00 42.52 H new ATOM 0 HB3 PHE A 143 -0.085 5.196 12.032 1.00 42.52 H new ATOM 0 HD1 PHE A 143 1.683 1.968 12.244 1.00 11.21 H new ATOM 0 HD2 PHE A 143 1.967 6.090 11.001 1.00 62.32 H new ATOM 0 HE1 PHE A 143 3.945 1.542 11.309 1.00 2.14 H new ATOM 0 HE2 PHE A 143 4.224 5.646 10.055 1.00 3.23 H new ATOM 0 HZ PHE A 143 5.228 3.391 10.270 1.00 51.32 H new ATOM 2275 N GLU A 144 1.304 7.091 13.492 1.00 34.23 N ATOM 2276 CA GLU A 144 2.274 8.157 13.227 1.00 3.55 C ATOM 2277 C GLU A 144 2.724 8.908 14.484 1.00 25.33 C ATOM 2278 O GLU A 144 3.803 9.504 14.480 1.00 31.23 O ATOM 2279 CB GLU A 144 1.814 9.105 12.125 1.00 21.02 C ATOM 2280 CG GLU A 144 0.526 9.851 12.434 1.00 64.22 C ATOM 2281 CD GLU A 144 0.701 11.371 12.337 1.00 45.13 C ATOM 2282 OE1 GLU A 144 1.098 12.007 13.342 1.00 11.50 O ATOM 2283 OE2 GLU A 144 0.436 11.956 11.264 1.00 43.34 O ATOM 0 H GLU A 144 0.349 7.301 13.200 1.00 34.23 H new ATOM 0 HA GLU A 144 3.163 7.646 12.857 1.00 3.55 H new ATOM 0 HB2 GLU A 144 2.604 9.832 11.935 1.00 21.02 H new ATOM 0 HB3 GLU A 144 1.678 8.535 11.206 1.00 21.02 H new ATOM 0 HG2 GLU A 144 -0.252 9.531 11.741 1.00 64.22 H new ATOM 0 HG3 GLU A 144 0.188 9.589 13.436 1.00 64.22 H new ATOM 2290 N GLU A 145 1.947 8.835 15.568 1.00 71.03 N ATOM 2291 CA GLU A 145 2.328 9.333 16.889 1.00 25.25 C ATOM 2292 C GLU A 145 3.592 8.602 17.377 1.00 72.00 C ATOM 2293 O GLU A 145 4.414 9.153 18.114 1.00 70.20 O ATOM 2294 CB GLU A 145 1.148 9.069 17.836 1.00 2.44 C ATOM 2295 CG GLU A 145 1.351 9.543 19.282 1.00 14.24 C ATOM 2296 CD GLU A 145 0.302 8.914 20.199 1.00 42.12 C ATOM 2297 OE1 GLU A 145 0.537 7.783 20.675 1.00 73.10 O ATOM 2298 OE2 GLU A 145 -0.769 9.518 20.448 1.00 30.44 O ATOM 0 H GLU A 145 1.016 8.419 15.549 1.00 71.03 H new ATOM 0 HA GLU A 145 2.552 10.399 16.856 1.00 25.25 H new ATOM 0 HB2 GLU A 145 0.262 9.558 17.431 1.00 2.44 H new ATOM 0 HB3 GLU A 145 0.944 7.998 17.847 1.00 2.44 H new ATOM 0 HG2 GLU A 145 2.351 9.274 19.623 1.00 14.24 H new ATOM 0 HG3 GLU A 145 1.280 10.630 19.329 1.00 14.24 H new ATOM 2305 N LEU A 146 3.756 7.345 16.956 1.00 1.31 N ATOM 2306 CA LEU A 146 4.740 6.407 17.478 1.00 12.54 C ATOM 2307 C LEU A 146 5.864 6.119 16.490 1.00 72.03 C ATOM 2308 O LEU A 146 6.958 5.754 16.915 1.00 42.51 O ATOM 2309 CB LEU A 146 4.031 5.114 17.891 1.00 23.14 C ATOM 2310 CG LEU A 146 3.051 5.318 19.053 1.00 33.32 C ATOM 2311 CD1 LEU A 146 2.443 3.964 19.388 1.00 13.25 C ATOM 2312 CD2 LEU A 146 3.765 5.891 20.280 1.00 12.31 C ATOM 0 H LEU A 146 3.183 6.943 16.214 1.00 1.31 H new ATOM 0 HA LEU A 146 5.213 6.866 18.347 1.00 12.54 H new ATOM 0 HB2 LEU A 146 3.492 4.711 17.034 1.00 23.14 H new ATOM 0 HB3 LEU A 146 4.776 4.372 18.176 1.00 23.14 H new ATOM 0 HG LEU A 146 2.277 6.029 18.764 1.00 33.32 H new ATOM 0 HD11 LEU A 146 1.739 4.075 20.213 1.00 13.25 H new ATOM 0 HD12 LEU A 146 1.920 3.574 18.515 1.00 13.25 H new ATOM 0 HD13 LEU A 146 3.234 3.271 19.676 1.00 13.25 H new ATOM 0 HD21 LEU A 146 3.047 6.026 21.089 1.00 12.31 H new ATOM 0 HD22 LEU A 146 4.547 5.203 20.600 1.00 12.31 H new ATOM 0 HD23 LEU A 146 4.210 6.853 20.026 1.00 12.31 H new ATOM 2324 N HIS A 147 5.621 6.304 15.199 1.00 50.42 N ATOM 2325 CA HIS A 147 6.540 6.056 14.089 1.00 2.23 C ATOM 2326 C HIS A 147 6.834 7.384 13.372 1.00 14.31 C ATOM 2327 O HIS A 147 6.281 7.616 12.291 1.00 25.35 O ATOM 2328 CB HIS A 147 5.944 5.008 13.132 1.00 50.20 C ATOM 2329 CG HIS A 147 5.844 3.603 13.668 1.00 10.52 C ATOM 2330 ND1 HIS A 147 6.324 2.458 13.063 1.00 12.53 N ATOM 2331 CD2 HIS A 147 5.108 3.215 14.751 1.00 43.54 C ATOM 2332 CE1 HIS A 147 5.898 1.408 13.782 1.00 11.14 C ATOM 2333 NE2 HIS A 147 5.196 1.827 14.848 1.00 43.53 N ATOM 0 H HIS A 147 4.719 6.654 14.875 1.00 50.42 H new ATOM 0 HA HIS A 147 7.481 5.654 14.464 1.00 2.23 H new ATOM 0 HB2 HIS A 147 4.946 5.336 12.842 1.00 50.20 H new ATOM 0 HB3 HIS A 147 6.549 4.987 12.226 1.00 50.20 H new ATOM 0 HD2 HIS A 147 4.557 3.866 15.413 1.00 43.54 H new ATOM 0 HE1 HIS A 147 6.092 0.374 13.538 1.00 11.14 H new ATOM 0 HE2 HIS A 147 4.803 1.242 15.586 1.00 43.53 H new ATOM 2341 N PRO A 148 7.640 8.285 13.966 1.00 10.34 N ATOM 2342 CA PRO A 148 8.063 9.518 13.325 1.00 32.32 C ATOM 2343 C PRO A 148 8.963 9.243 12.129 1.00 33.31 C ATOM 2344 O PRO A 148 8.477 9.570 11.025 1.00 72.43 O ATOM 2345 CB PRO A 148 8.708 10.373 14.411 1.00 41.23 C ATOM 2346 CG PRO A 148 9.125 9.384 15.493 1.00 65.00 C ATOM 2347 CD PRO A 148 8.165 8.211 15.321 1.00 23.41 C ATOM 0 HA PRO A 148 7.222 10.064 12.898 1.00 32.32 H new ATOM 0 HB2 PRO A 148 9.567 10.921 14.024 1.00 41.23 H new ATOM 0 HB3 PRO A 148 8.008 11.112 14.800 1.00 41.23 H new ATOM 0 HG2 PRO A 148 10.162 9.071 15.368 1.00 65.00 H new ATOM 0 HG3 PRO A 148 9.042 9.823 16.487 1.00 65.00 H new ATOM 0 HD2 PRO A 148 8.680 7.264 15.484 1.00 23.41 H new ATOM 0 HD3 PRO A 148 7.357 8.264 16.051 1.00 23.41 H new